A0A087YAH4_POEFO Loading...

Transmembrane protein 204

Can influence paracellular permeability. Appears to be involved in cell-cell interactions through adherens.

AlphaFold DB (A0A3B3UP70), UniProt , Accession A0A087YAH4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 226 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
1M57.3Low77.9Confident191 Ų19176.7 Ų76.794%0.94140%0.403SS*.  0-43.50-75.7-126.8-87.900113.9R5M1-R5 WeakPolarHBondContact O-CG 3.48Å; M1-R5 PolarHBondContact O-N 3.03Å
2A60.8Low79.1Confident78 Ų7875.3 Ų75.365%0.64541%0.411SS*.Hα-helixtrans-64.4-41.3179.100000113.9R4 R5 L6A2-R4 PolarHBondContact O-N 3.38Å; A2-R5 WeakPolarHBondContact O-CB 3.44Å; A2-R5 PolarHBondContact O-N 3.49Å; A2-R5 VanDerWaalsContact O-N 3.12Å; A2-L6 PolarHBondContact O-N 2.78Å; A2-L6 VanDerWaalsContact O-N 3.14Å
3V62.6Low80.2Confident65 Ų6571.5 Ų71.539%0.39439%0.392SS..Hα-helixtrans-57.2-48178.41770000112.3R5 L6 V7V3-R5 PolarHBondContact O-N 3.22Å; V3-L6 PolarHBondContact O-N 3.17Å; V3-L6 VanDerWaalsContact O-N 3.08Å; V3-V7 PolarHBondContact O-N 3.1Å; V3-V7 VanDerWaalsContact O-N 3.09Å
4R70.3Confident81.1Confident166 Ų16666.4 Ų66.463%0.62636%0.364SS*.Hα-helixtrans-62.9-29.9178.4-157.2173-174.7172.73.4112.7A2 A8A2-R4 PolarHBondContact O-N 3.38Å; R4-A8 WeakPolarHBondContact O-CB 3.4Å; R4-A8 PolarHBondContact O-N 2.81Å; R4-A8 VanDerWaalsContact O-N 3.16Å
5R80.4Confident81.9Confident178 Ų17867.9 Ų67.967%0.67237%0.37SS*.Hα-helixtrans-71.9-36.3174.8-67177.2-178.8-175.1-0.3111.9M1 A2 V3 A9M1-R5 WeakPolarHBondContact O-CG 3.48Å; M1-R5 PolarHBondContact O-N 3.03Å; A2-R5 WeakPolarHBondContact O-CB 3.44Å; A2-R5 PolarHBondContact O-N 3.49Å; A2-R5 VanDerWaalsContact O-N 3.12Å; V3-R5 PolarHBondContact O-N 3.22Å; R5-A9 WeakPolarHBondContact O-CB 3.49Å; R5-A9 PolarHBondContact O-N 3.08Å
6L83.8Confident82.7Confident60 Ų6069 Ų6931%0.31438%0.375SS..Hα-helixtrans-70.1-45.2179.3-156.6160.2000111A2 V3 A8 A9 A10 M185 N189A2-L6 PolarHBondContact O-N 2.78Å; A2-L6 VanDerWaalsContact O-N 3.14Å; V3-L6 PolarHBondContact O-N 3.17Å; V3-L6 VanDerWaalsContact O-N 3.08Å; L6-A8 VanDerWaalsContact C-N 3.35Å; L6-A8 PolarHBondContact O-N 3.16Å; L6-A9 PolarHBondContact O-N 3.12Å; L6-A10 WeakPolarHBondContact O-CB 3.36Å; L6-A10 PolarHBondContact O-N 3.44Å; L6-M185 HydrophobicContact CD2-CB 3.97Å; L6-N189 HydrophobicContact CD2-CB 4.27Å
7V84.3Confident83.2Confident7 Ų764.9 Ų64.94%0.04235%0.353CS..Hα-helixtrans-59.3-45.9173.5179.10000110.8V3 A9 A10 V11 F117 L186V3-V7 PolarHBondContact O-N 3.1Å; V3-V7 VanDerWaalsContact O-N 3.09Å; V7-A9 VanDerWaalsContact C-N 3.34Å; V7-A9 PolarHBondContact O-N 3.26Å; V7-A10 PolarHBondContact O-N 3.03Å; V7-V11 HydrophobicContact CG1-CG2 4.44Å; V7-V11 VanDerWaalsContact O-CG2 3.26Å; V7-V11 WeakPolarHBondContact O-CG2 3.38Å; V7-V11 PolarHBondContact O-N 3.42Å; V7-F117 HydrophobicContact CG1-CD2 4.15Å; V7-F117 HydrophobicContact CG1-CE2 3.85Å; V7-L186 HydrophobicContact CB-CD2 4.33Å; V7-L186 HydrophobicContact CG1-CD2 4.05Å; V7-L186 HydrophobicContact CG2-CD2 4.18Å
8A86.8Confident83.7Confident44 Ų4462.8 Ų62.836%0.36434%0.341SS..Hα-helixtrans-61.4-40.3176.700000112.7R4 L6 V11 A12 F117R4-A8 WeakPolarHBondContact O-CB 3.4Å; R4-A8 PolarHBondContact O-N 2.81Å; R4-A8 VanDerWaalsContact O-N 3.16Å; L6-A8 VanDerWaalsContact C-N 3.35Å; L6-A8 PolarHBondContact O-N 3.16Å; A8-V11 PolarHBondContact O-N 3.14Å; A8-A12 WeakPolarHBondContact O-CB 3.48Å; A8-A12 PolarHBondContact O-N 2.86Å; A8-F117 HydrophobicContact CB-CZ 4.48Å
9A90.6Very high84.2Confident48 Ų4863.4 Ų63.440%0.39735%0.347SS..Hα-helixtrans-64.2-44.7175.200000111.7R5 L6 V7 V11 A12 V13R5-A9 WeakPolarHBondContact O-CB 3.49Å; R5-A9 PolarHBondContact O-N 3.08Å; L6-A9 PolarHBondContact O-N 3.12Å; V7-A9 VanDerWaalsContact C-N 3.34Å; V7-A9 PolarHBondContact O-N 3.26Å; A9-V11 VanDerWaalsContact C-N 3.32Å; A9-V11 PolarHBondContact O-N 3.09Å; A9-A12 PolarHBondContact O-N 2.86Å; A9-V13 WeakPolarHBondContact O-CG2 3.48Å; A9-V13 PolarHBondContact O-N 2.87Å
10A89.4Confident84.4Confident0 Ų062.4 Ų62.40%034%0.341CS..Hα-helixtrans-60.9-41.617700000111.8L6 V7 V13 A14 A182 M185 L186L6-A10 WeakPolarHBondContact O-CB 3.36Å; L6-A10 PolarHBondContact O-N 3.44Å; V7-A10 PolarHBondContact O-N 3.03Å; A10-V13 PolarHBondContact O-N 3.01Å; A10-A14 WeakPolarHBondContact O-CB 3.26Å; A10-A14 PolarHBondContact O-N 2.93Å; A10-A182 WeakPolarHBondContact O-CB 3.39Å; A10-M185 HydrophobicContact CB-CB 3.89Å; A10-M185 HydrophobicContact CB-SD 4.26Å; A10-L186 HydrophobicContact CB-CD2 3.79Å; A10-L186 HydrophobicContact CB-CG 3.85Å
11V90.6Very high84.7Confident7 Ų759.4 Ų59.44%0.04232%0.324CS..Hα-helixtrans-64.8-41.2175.8172.70000111.5V7 A8 A9 V13 A14 L15 Q114 F117 F142V7-V11 HydrophobicContact CG1-CG2 4.44Å; V7-V11 VanDerWaalsContact O-CG2 3.26Å; V7-V11 WeakPolarHBondContact O-CG2 3.38Å; V7-V11 PolarHBondContact O-N 3.42Å; A8-V11 PolarHBondContact O-N 3.14Å; A9-V11 VanDerWaalsContact C-N 3.32Å; A9-V11 PolarHBondContact O-N 3.09Å; V11-V13 PolarHBondContact O-N 2.86Å; V11-A14 PolarHBondContact O-N 2.91Å; V11-L15 WeakPolarHBondContact O-CB 3.33Å; V11-L15 PolarHBondContact O-N 2.78Å; V11-Q114 PolarHBondContact O-NE2 2.8Å; V11-F117 HydrophobicContact CB-CD1 4.32Å; V11-F117 HydrophobicContact CB-CE1 4.38Å; V11-F117 HydrophobicContact CB-CG 4.38Å; V11-F117 HydrophobicContact CG1-CB 4.39Å; V11-F117 HydrophobicContact CG1-CD1 3.62Å; V11-F117 HydrophobicContact CG1-CE1 3.93Å; V11-F117 HydrophobicContact CG1-CG 3.95Å; V11-F117 HydrophobicContact CG2-CB 4.18Å; V11-F117 HydrophobicContact CG2-CD1 4.17Å; V11-F117 HydrophobicContact CG2-CD2 3.66Å; V11-F117 HydrophobicContact CG2-CE1 4.45Å; V11-F117 HydrophobicContact CG2-CE2 4.01Å; V11-F117 HydrophobicContact CG2-CG 3.73Å; V11-F117 HydrophobicContact CG2-CZ 4.37Å; V11-F142 HydrophobicContact CG2-CE2 4.39Å
12A92.8Very high86.2Confident60 Ų6052.4 Ų52.450%0.49629%0.291SS..Hα-helixtrans-62.7-40.9175.200000112.2A8 A9 L15 L16A8-A12 WeakPolarHBondContact O-CB 3.48Å; A8-A12 PolarHBondContact O-N 2.86Å; A9-A12 PolarHBondContact O-N 2.86Å; A12-L15 PolarHBondContact O-N 2.93Å; A12-L16 PolarHBondContact O-N 3.26Å
13V93.5Very high87.4Confident26 Ų2651.7 Ų51.716%0.15828%0.278CS..Hα-helixtrans-62.9-43.5173.9171.90000111A9 A10 V11 L15 L16 S17 L178 M181 A182 M185A9-V13 WeakPolarHBondContact O-CG2 3.48Å; A9-V13 PolarHBondContact O-N 2.87Å; A10-V13 PolarHBondContact O-N 3.01Å; V11-V13 PolarHBondContact O-N 2.86Å; V13-L15 VanDerWaalsContact C-N 3.3Å; V13-L15 PolarHBondContact O-N 2.94Å; V13-L16 WeakPolarHBondContact O-CB 3.5Å; V13-L16 PolarHBondContact O-N 3.15Å; V13-S17 PolarHBondContact O-N 2.81Å; V13-L178 HydrophobicContact CG1-CB 4.06Å; V13-L178 HydrophobicContact CG1-CD2 4Å; V13-L178 VanDerWaalsContact CG1-O 3.26Å; V13-L178 WeakPolarHBondContact CG1-O 3.47Å; V13-M181 HydrophobicContact CB-CE 4.43Å; V13-M181 HydrophobicContact CG1-CE 3.49Å; V13-M181 VanDerWaalsContact CG1-CE 3.49Å; V13-M181 HydrophobicContact CG2-CE 4Å; V13-A182 HydrophobicContact CB-CB 4.26Å; V13-A182 HydrophobicContact CG1-CB 4Å; V13-M185 HydrophobicContact CG2-CE 4.2Å
14A91.6Very high88.4Confident0 Ų048.6 Ų48.60%026%0.259CS..Hα-helixtrans-65-33.2175.700000112.5A10 V11 S17 L18 L110 F142 A182A10-A14 WeakPolarHBondContact O-CB 3.26Å; A10-A14 PolarHBondContact O-N 2.93Å; V11-A14 PolarHBondContact O-N 2.91Å; A14-S17 WeakPolarHBondContact O-CB 3.3Å; A14-S17 PolarHBondContact O-N 3Å; A14-L18 PolarHBondContact O-N 2.97Å; A14-L110 HydrophobicContact CB-CD2 4.24Å; A14-F142 HydrophobicContact CB-CD1 4.21Å; A14-F142 HydrophobicContact CB-CD2 3.86Å; A14-F142 HydrophobicContact CB-CE1 3.83Å; A14-F142 HydrophobicContact CB-CE2 3.47Å; A14-F142 VanDerWaalsContact CB-CE2 3.47Å; A14-F142 HydrophobicContact CB-CG 4.23Å; A14-F142 HydrophobicContact CB-CZ 3.46Å; A14-F142 VanDerWaalsContact CB-CZ 3.46Å; A14-A182 HydrophobicContact CB-CB 3.84Å
15L93.7Very high88.9Confident88 Ų8840.7 Ų40.746%0.46123%0.23SC..Hα-helixtrans-68.4-39.6174.2-171.7133000111.4V11 A12 V13 S17 L18 V19V11-L15 WeakPolarHBondContact O-CB 3.33Å; V11-L15 PolarHBondContact O-N 2.78Å; A12-L15 PolarHBondContact O-N 2.93Å; V13-L15 VanDerWaalsContact C-N 3.3Å; V13-L15 PolarHBondContact O-N 2.94Å; L15-S17 VanDerWaalsContact C-N 3.34Å; L15-L18 WeakPolarHBondContact O-CB 3.31Å; L15-L18 PolarHBondContact O-N 3.07Å; L15-V19 WeakPolarHBondContact O-CG2 3.45Å; L15-V19 PolarHBondContact O-N 3.41Å
16L94.1Very high88.8Confident86 Ų8637.6 Ų37.645%0.4522%0.221SC..Hα-helixtrans-62.3-42.6171.9-175.364.3000111.4A12 V13 L18 V19 L20 L178A12-L16 PolarHBondContact O-N 3.26Å; V13-L16 WeakPolarHBondContact O-CB 3.5Å; V13-L16 PolarHBondContact O-N 3.15Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 3.44Å; L16-V19 PolarHBondContact O-N 3.45Å; L16-L20 HydrophobicContact CD1-CD1 4.44Å; L16-L20 HydrophobicContact CG-CD1 4.08Å; L16-L20 WeakPolarHBondContact O-CG 3.35Å; L16-L20 PolarHBondContact O-N 2.88Å; L16-L178 HydrophobicContact CB-CD1 4.45Å; L16-L178 HydrophobicContact CD2-CD1 3.74Å; L16-L178 HydrophobicContact CD2-CD2 4.41Å; L16-L178 HydrophobicContact CG-CD1 3.87Å
17S92.2Very high88.4Confident0 Ų036.3 Ų36.30%022%0.216CC..Hα-helixtrans-57.6-45.5173177.20000111.9V13 A14 L15 V19 L20 N21 A175 A179V13-S17 PolarHBondContact O-N 2.81Å; A14-S17 WeakPolarHBondContact O-CB 3.3Å; A14-S17 PolarHBondContact O-N 3Å; L15-S17 VanDerWaalsContact C-N 3.34Å; S17-V19 PolarHBondContact O-N 3.45Å; S17-L20 PolarHBondContact O-N 3.05Å; S17-N21 VanDerWaalsContact O-CB 3.27Å; S17-N21 WeakPolarHBondContact O-CB 3.45Å; S17-N21 PolarHBondContact O-N 3.46Å; S17-A175 WeakPolarHBondContact CB-O 3.24Å; S17-A175 PolarHBondContact OG-O 3.5Å; S17-A179 WeakPolarHBondContact OG-CB 3.37Å
18L92.1Very high87.5Confident26 Ų2636.9 Ų36.914%0.13622%0.22CC..Hα-helixtrans-57.9-47176.8178.877000111.6A14 L15 L16 N21 N22 T107 L110 T111A14-L18 PolarHBondContact O-N 2.97Å; L15-L18 WeakPolarHBondContact O-CB 3.31Å; L15-L18 PolarHBondContact O-N 3.07Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 3.44Å; L18-N21 PolarHBondContact O-N 3.21Å; L18-N22 PolarHBondContact O-N 3.22Å; L18-N22 PolarHBondContact O-ND2 2.94Å; L18-T107 HydrophobicContact CD1-CG2 3.95Å; L18-L110 HydrophobicContact CB-CB 4.25Å; L18-L110 HydrophobicContact CB-CD1 4.09Å; L18-L110 HydrophobicContact CD1-CB 3.64Å; L18-L110 HydrophobicContact CD1-CD1 4.2Å; L18-L110 HydrophobicContact CG-CB 4.5Å; L18-T111 HydrophobicContact CD1-CG2 3.74Å; L18-T111 HydrophobicContact CD2-CG2 3.96Å
19V92.9Very high86.7Confident74 Ų7435.1 Ų35.145%0.44821%0.205SC..Hα-helixtrans-61.8-49.5178.8172.70000110.2L15 L16 S17 N21 N22 V23L15-V19 WeakPolarHBondContact O-CG2 3.45Å; L15-V19 PolarHBondContact O-N 3.41Å; L16-V19 PolarHBondContact O-N 3.45Å; S17-V19 PolarHBondContact O-N 3.45Å; V19-N21 VanDerWaalsContact C-N 3.33Å; V19-N21 PolarHBondContact O-N 2.94Å; V19-N22 PolarHBondContact O-N 3.26Å; V19-V23 HydrophobicContact CG1-CG2 4.23Å; V19-V23 VanDerWaalsContact O-CG2 3.28Å; V19-V23 WeakPolarHBondContact O-CG2 3.45Å; V19-V23 PolarHBondContact O-N 3.2Å
20L89.1Confident85.8Confident43 Ų4333 Ų3323%0.22519%0.187CC..Hα-helixtrans-63.9-38-179.9-67.6169.9000112.2L16 S17 N22 V23 A24 V171 A175 L178L16-L20 HydrophobicContact CD1-CD1 4.44Å; L16-L20 HydrophobicContact CG-CD1 4.08Å; L16-L20 WeakPolarHBondContact O-CG 3.35Å; L16-L20 PolarHBondContact O-N 2.88Å; S17-L20 PolarHBondContact O-N 3.05Å; L20-N22 VanDerWaalsContact C-N 3.34Å; L20-N22 PolarHBondContact O-N 3.35Å; L20-V23 PolarHBondContact O-N 3.07Å; L20-A24 WeakPolarHBondContact O-CB 3.36Å; L20-A24 PolarHBondContact O-N 3.48Å; L20-V171 HydrophobicContact CB-CG1 4.05Å; L20-V171 HydrophobicContact CD2-CG1 3.99Å; L20-V171 WeakPolarHBondContact O-CG1 3.35Å; L20-A175 HydrophobicContact CB-CB 3.79Å; L20-L178 HydrophobicContact CD1-CD1 3.41Å; L20-L178 VanDerWaalsContact CD1-CD1 3.41Å
21N89.9Confident84.8Confident0 Ų033.8 Ų33.80%019%0.191CC..Hα-helixtrans-61.6-41.6175.4-176.356.2000112.1S17 L18 V19 A25 N103 T107 L149 A175S17-N21 VanDerWaalsContact O-CB 3.27Å; S17-N21 WeakPolarHBondContact O-CB 3.45Å; S17-N21 PolarHBondContact O-N 3.46Å; L18-N21 PolarHBondContact O-N 3.21Å; V19-N21 VanDerWaalsContact C-N 3.33Å; V19-N21 PolarHBondContact O-N 2.94Å; N21-A25 WeakPolarHBondContact O-CB 3.5Å; N21-A25 PolarHBondContact O-N 3.39Å; N21-N103 VanDerWaalsContact CG-ND2 3.26Å; N21-N103 PolarHBondContact ND2-ND2 3Å; N21-N103 PolarHBondContact ND2-O 3.47Å; N21-N103 PolarHBondContact O-ND2 3.18Å; N21-N103 PolarHBondContact OD1-ND2 3.48Å; N21-T107 PolarHBondContact ND2-OG1 2.9Å; N21-L149 WeakPolarHBondContact OD1-CD2 3.42Å; N21-A175 HydrophobicContact CB-CB 4.2Å
22N88.6Confident83.7Confident45 Ų4537.3 Ų37.324%0.24121%0.21CC..Hα-helixtrans-70.6-43.3175.7-80.4-83.5000111.7L18 V19 L20 A24 A25 F26L18-N22 PolarHBondContact O-N 3.22Å; L18-N22 PolarHBondContact O-ND2 2.94Å; V19-N22 PolarHBondContact O-N 3.26Å; L20-N22 VanDerWaalsContact C-N 3.34Å; L20-N22 PolarHBondContact O-N 3.35Å; N22-A24 VanDerWaalsContact C-N 3.31Å; N22-A24 PolarHBondContact O-N 2.88Å; N22-A25 WeakPolarHBondContact O-CB 3.33Å; N22-A25 PolarHBondContact O-N 2.98Å; N22-A25 VanDerWaalsContact O-N 3.12Å; N22-F26 HydrophobicContact CB-CD2 4.32Å; N22-F26 HydrophobicContact CB-CE2 4.28Å; N22-F26 WeakPolarHBondContact O-CD2 3.4Å; N22-F26 PolarHBondContact O-N 3.29Å
23V86.1Confident82.5Confident62 Ų6236.3 Ų36.338%0.37620%0.195SC..Hα-helixtrans-58.2-46.3175.6169.90000110.2V19 L20 A25 F26 T27 V171V19-V23 HydrophobicContact CG1-CG2 4.23Å; V19-V23 VanDerWaalsContact O-CG2 3.28Å; V19-V23 WeakPolarHBondContact O-CG2 3.45Å; V19-V23 PolarHBondContact O-N 3.2Å; L20-V23 PolarHBondContact O-N 3.07Å; V23-A25 PolarHBondContact O-N 3.48Å; V23-F26 PolarHBondContact O-N 3.23Å; V23-T27 VanDerWaalsContact O-CB 3.29Å; V23-T27 WeakPolarHBondContact O-CB 3.47Å; V23-T27 PolarHBondContact O-N 3.21Å; V23-T27 PolarHBondContact O-OG1 2.91Å; V23-V171 HydrophobicContact CG1-CG1 4.46Å
24A83.6Confident81Confident0 Ų038.1 Ų38.10%021%0.213CC..Hα-helixtrans-56.9-50.5173.900000110.2L20 N22 F26 T27 W30 V171 N172L20-A24 WeakPolarHBondContact O-CB 3.36Å; L20-A24 PolarHBondContact O-N 3.48Å; N22-A24 VanDerWaalsContact C-N 3.31Å; N22-A24 PolarHBondContact O-N 2.88Å; A24-F26 PolarHBondContact O-N 3.36Å; A24-T27 PolarHBondContact O-N 3.49Å; A24-W30 HydrophobicContact CB-CH2 4.45Å; A24-W30 HydrophobicContact CB-CZ2 3.82Å; A24-W30 PolarHBondContact O-NE1 2.9Å; A24-V171 HydrophobicContact CB-CB 4.24Å; A24-V171 HydrophobicContact CB-CG1 4.01Å; A24-N172 HydrophobicContact CB-CB 4.06Å
25A81.4Confident79.5Confident1 Ų140.3 Ų40.31%0.00822%0.224CC..Hα-helixtrans-56.5-46.2-179.400000113.9N21 N22 V23 L45 N103N21-A25 WeakPolarHBondContact O-CB 3.5Å; N21-A25 PolarHBondContact O-N 3.39Å; N22-A25 WeakPolarHBondContact O-CB 3.33Å; N22-A25 PolarHBondContact O-N 2.98Å; N22-A25 VanDerWaalsContact O-N 3.12Å; V23-A25 PolarHBondContact O-N 3.48Å; A25-L45 HydrophobicContact CB-CD2 4.36Å; A25-L45 WeakPolarHBondContact O-CB 3.26Å; A25-N103 WeakPolarHBondContact CB-OD1 3.26Å
26F77.9Confident77.8Confident112 Ų11243.5 Ų43.549%0.49124%0.237SC..Hα-helixtrans-83.2-15.4-174.1-70.4-64.4000114N22 V23 A24N22-F26 HydrophobicContact CB-CD2 4.32Å; N22-F26 HydrophobicContact CB-CE2 4.28Å; N22-F26 WeakPolarHBondContact O-CD2 3.4Å; N22-F26 PolarHBondContact O-N 3.29Å; V23-F26 PolarHBondContact O-N 3.23Å; A24-F26 PolarHBondContact O-N 3.36Å
27T76.1Confident76.2Confident33 Ų3344.6 Ų44.620%0.20224%0.243CC..SBendtrans-78.4132.4179.5-56.70000110.3V23 A24 S29 S168V23-T27 VanDerWaalsContact O-CB 3.29Å; V23-T27 WeakPolarHBondContact O-CB 3.47Å; V23-T27 PolarHBondContact O-N 3.21Å; V23-T27 PolarHBondContact O-OG1 2.91Å; A24-T27 PolarHBondContact O-N 3.49Å; T27-S29 VanDerWaalsContact CG2-OG 3.23Å; T27-S29 WeakPolarHBondContact CG2-OG 3.49Å; T27-S29 PolarHBondContact O-N 3.33Å; T27-S29 VanDerWaalsContact O-N 3.11Å; T27-S168 WeakPolarHBondContact CB-OG 3.21Å; T27-S168 WeakPolarHBondContact CG2-OG 3.26Å
28P63.8Low74.6Confident20 Ų2047.6 Ų47.613%0.1327%0.274CS..SBendtrans-76.613.6-176.830.2-32.4000114.6S42 V43 G44 R47 C49 E54P28-S42 CarbonylContact O-C 3.18Å; P28-S42 WeakPolarHBondContact O-CB 3.3Å; P28-S42 PolarHBondContact O-OG 3.36Å; P28-V43 CarbonylContact O-C 3.09Å; P28-V43 PolarHBondContact O-N 3.02Å; P28-G44 PolarHBondContact O-N 3.1Å; P28-G44 VanDerWaalsContact O-N 3.1Å; P28-R47 HydrophobicContact CB-CB 4.44Å; P28-C49 HydrophobicContact CB-CB 4.22Å; P28-C49 VanDerWaalsContact CB-SG 3.54Å; P28-C49 HydrophobicContact CG-CB 4.36Å; P28-C49 WeakPolarHBondContact CG-SG 3.31Å; P28-E54 WeakPolarHBondContact CG-OE1 3.47Å
29S70.1Confident73.1Confident6 Ų652.2 Ų52.24%0.04229%0.29CS..  trans-113.754.7-171.962.20000113.4T27 E54 S166 S168T27-S29 VanDerWaalsContact CG2-OG 3.23Å; T27-S29 WeakPolarHBondContact CG2-OG 3.49Å; T27-S29 PolarHBondContact O-N 3.33Å; T27-S29 VanDerWaalsContact O-N 3.11Å; S29-E54 WeakPolarHBondContact CB-OE1 3.43Å; S29-S166 WeakPolarHBondContact O-CB 3.48Å; S29-S168 VanDerWaalsContact C-OG 3.28Å; S29-S168 WeakPolarHBondContact O-CB 3.25Å; S29-S168 PolarHBondContact O-N 2.88Å; S29-S168 VanDerWaalsContact O-N 3.11Å; S29-S168 PolarHBondContact O-OG 3.33Å; S29-S168 VanDerWaalsContact O-OG 3.05Å; S29-S168 PolarHBondContact OG-OG 3.14Å
30W71.3Confident71.9Confident3 Ų355.5 Ų55.51%0.01130%0.298CS..SBendtrans-87.2-41.6171.3-75.369.2000111.8A24 V43 M99 F156 S166 N172A24-W30 HydrophobicContact CB-CH2 4.45Å; A24-W30 HydrophobicContact CB-CZ2 3.82Å; A24-W30 PolarHBondContact O-NE1 2.9Å; W30-V43 WeakPolarHBondContact CA-O 3.36Å; W30-V43 WeakPolarHBondContact CB-O 3.21Å; W30-V43 PolarHBondContact N-O 3.24Å; W30-M99 HydrophobicContact CH2-CE 3.2Å; W30-M99 HydrophobicContact CH2-CG 4.3Å; W30-M99 HydrophobicContact CZ2-CE 4.33Å; W30-M99 HydrophobicContact CZ3-CE 3.45Å; W30-M99 VanDerWaalsContact CZ3-CE 3.45Å; W30-M99 HydrophobicContact CZ3-CG 4.02Å; W30-M99 HydrophobicContact CZ3-SD 4.37Å; W30-F156 HydrophobicContact CB-CZ 4.23Å; W30-F156 HydrophobicContact CE3-CE1 4.24Å; W30-F156 HydrophobicContact CE3-CE2 4.32Å; W30-F156 HydrophobicContact CE3-CZ 4.05Å; W30-S166 WeakPolarHBondContact O-CB 3.46Å; W30-N172 HydrophobicContact CH2-CB 3.74Å; W30-N172 HydrophobicContact CZ2-CB 4.48Å; W30-N172 HydrophobicContact CZ3-CB 4.39Å
31V70.3Confident71Confident17 Ų1757.4 Ų57.410%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-136.3129.3176.8-1740000109.6V43 F96 F156 T163V31-V43 PolarHBondContact N-O 3.32Å; V31-V43 PolarHBondContact O-N 3.04Å; V31-F96 HydrophobicContact CG2-CE2 4.48Å; V31-F96 HydrophobicContact CG2-CZ 3.79Å; V31-F156 HydrophobicContact CG2-CE1 4.33Å; V31-F156 HydrophobicContact CG2-CE2 4.27Å; V31-F156 HydrophobicContact CG2-CZ 3.49Å; V31-F156 VanDerWaalsContact CG2-CZ 3.49Å; V31-T163 HydrophobicContact CG1-CG2 3.86Å
32L67.4Low70.1Confident81 Ų8157.4 Ų57.442%0.42430%0.302SS..EExtended strand (participates in β ladder)trans-88.4111166.3-76.2153.8000108.4S166L32-S166 WeakPolarHBondContact CD1-OG 3.3Å; L32-S166 PolarHBondContact N-OG 3.28Å
33Q67.1Low69.2Low39 Ų3955.6 Ų55.618%0.18229%0.292CS..EExtended strand (participates in β ladder)trans-105.1127.3179.3-164167.619.300110.6K40 R41Q33-K40 CarbonylContact O-C 3.53Å; Q33-K40 WeakPolarHBondContact O-CA 3.43Å; Q33-R41 PolarHBondContact N-O 3.28Å; Q33-R41 PolarHBondContact O-N 2.89Å
34A60.7Low68.5Low65 Ų6552.6 Ų52.654%0.53728%0.275SS..EExtended strand (participates in β ladder)trans-89.8124.116800000109
35L61Low67.9Low45 Ų4552.6 Ų52.624%0.23628%0.275CS..  trans-82.3153.3174.6-137.871.9000109.6D37 G38 R39L35-D37 PolarHBondContact O-N 2.92Å; L35-D37 VanDerWaalsContact O-N 3.1Å; L35-G38 PolarHBondContact O-N 3.17Å; L35-R39 HydrophobicContact CB-CB 4.36Å; L35-R39 WeakPolarHBondContact CB-O 3.26Å; L35-R39 PolarHBondContact N-O 3.43Å
36E57.4Low67.7Low156 Ų15655.2 Ų55.273%0.72928%0.284SS*.THydrogen-bonded Turntrans-53.8-31.4178.7-70.7179.8160.300113G38 Y85E36-G38 PolarHBondContact O-N 3.09Å; E36-G38 VanDerWaalsContact O-N 3.11Å; E36-Y85 HydrophobicContact CG-CE2 4.49Å; E36-Y85 WeakPolarHBondContact CG-OH 3.39Å; E36-Y85 WeakPolarHBondContact OE1-CE1 3.27Å; E36-Y85 PolarHBondContact OE1-OH 2.91Å
37D60.4Low67.6Low109 Ų10956.2 Ų56.258%0.58329%0.285SS*.THydrogen-bonded Turntrans-74.810.6175.3-55-35.9000114.3L35 R39L35-D37 PolarHBondContact O-N 2.92Å; L35-D37 VanDerWaalsContact O-N 3.1Å; D37-R39 PolarHBondContact O-N 3.18Å; D37-R39 IonicContact OD2-CZ 3.71Å; D37-R39 IonicContact OD2-NE 3.6Å; D37-R39 IonicContact OD2-NH2 3.76Å; D37-R39 PolarHBondContact OD2-NH2 2.87Å
38G59.8Low67.5Low63 Ų6355.3 Ų55.365%0.64928%0.278SS*.SBendtrans73.2-0.1-174.900000115.2L35 E36L35-G38 PolarHBondContact O-N 3.17Å; E36-G38 PolarHBondContact O-N 3.09Å; E36-G38 VanDerWaalsContact O-N 3.11Å
39R60.3Low67.9Low123 Ų12354.6 Ų54.646%0.46427%0.274SS..  trans-79.6128.1177.8-73-178.2-79.8174.4-6.1110.6L35 D37L35-R39 HydrophobicContact CB-CB 4.36Å; L35-R39 WeakPolarHBondContact CB-O 3.26Å; L35-R39 PolarHBondContact N-O 3.43Å; D37-R39 PolarHBondContact O-N 3.18Å; D37-R39 IonicContact OD2-CZ 3.71Å; D37-R39 IonicContact OD2-NE 3.6Å; D37-R39 IonicContact OD2-NH2 3.76Å; D37-R39 PolarHBondContact OD2-NH2 2.87Å
40K68.4Low67.9Low142 Ų14255.9 Ų55.962%0.61728%0.282SS*.EExtended strand (participates in β ladder)trans-89.2145174.8-62.9176.7-175.2-179.40110.6Q33 A51Q33-K40 CarbonylContact O-C 3.53Å; Q33-K40 WeakPolarHBondContact O-CA 3.43Å; K40-A51 HydrophobicContact CB-CB 3.39Å; K40-A51 WeakPolarHBondContact O-CB 3.38Å; K40-A51 PolarHBondContact O-N 3.27Å
41R69Low67.3Low83 Ų8358.1 Ų58.131%0.31330%0.301SS..EExtended strand (participates in β ladder)trans-135.3137.1172.8-62.2-174.6-178.5171.42.9109.5Q33 M48Q33-R41 PolarHBondContact N-O 3.28Å; Q33-R41 PolarHBondContact O-N 2.89Å; R41-M48 HydrophobicContact CB-CE 4.04Å
42S70.6Confident66.5Low0 Ų060.3 Ų60.30%033%0.327CS..EExtended strand (participates in β ladder)trans-93.4124.9170.764.70000108.6P28 C49P28-S42 CarbonylContact O-C 3.18Å; P28-S42 WeakPolarHBondContact O-CB 3.3Å; P28-S42 PolarHBondContact O-OG 3.36Å; S42-C49 PolarHBondContact N-O 3.44Å; S42-C49 PolarHBondContact O-N 3.26Å; S42-C49 PolarHBondContact OG-O 2.97Å
43V71.4Confident65.7Low7 Ų758.6 Ų58.64%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-107118.7177.2-171.70000106.9P28 W30 V31 M48 I76 F96P28-V43 CarbonylContact O-C 3.09Å; P28-V43 PolarHBondContact O-N 3.02Å; W30-V43 WeakPolarHBondContact CA-O 3.36Å; W30-V43 WeakPolarHBondContact CB-O 3.21Å; W30-V43 PolarHBondContact N-O 3.24Å; V31-V43 PolarHBondContact N-O 3.32Å; V31-V43 PolarHBondContact O-N 3.04Å; V43-M48 HydrophobicContact CG2-CE 3.51Å; V43-M48 HydrophobicContact CG2-CG 4.14Å; V43-I76 HydrophobicContact CG1-CD1 4.24Å; V43-F96 HydrophobicContact CG1-CE1 4.27Å; V43-F96 HydrophobicContact CG1-CZ 4.32Å
44G71.3Confident64.8Low0 Ų060.8 Ų60.80%034%0.335CS..  trans-106.2-178.1166.400000112.3P28 W46 R47P28-G44 PolarHBondContact O-N 3.1Å; P28-G44 VanDerWaalsContact O-N 3.1Å; G44-W46 PolarHBondContact O-N 3.25Å; G44-R47 WeakPolarHBondContact CA-O 3.16Å; G44-R47 PolarHBondContact N-O 2.98Å
45L70.9Confident64Low0 Ų068 Ų680%035%0.348CS..SBendtrans-67-39-174.2-150.171.8000111.8A25 F96 M99 R100 N103A25-L45 HydrophobicContact CB-CD2 4.36Å; A25-L45 WeakPolarHBondContact O-CB 3.26Å; L45-F96 HydrophobicContact CD1-CD1 4.24Å; L45-M99 HydrophobicContact CD1-CB 4.02Å; L45-M99 HydrophobicContact CD1-CG 3.81Å; L45-R100 HydrophobicContact CD1-CG 3.86Å; L45-R100 HydrophobicContact CD2-CB 4.45Å; L45-R100 HydrophobicContact CD2-CG 3.84Å; L45-R100 HydrophobicContact CG-CG 3.47Å; L45-R100 VanDerWaalsContact CG-CG 3.47Å; L45-R100 PolarHBondContact O-NE 3.29Å; L45-R100 PolarHBondContact O-NH2 3.3Å; L45-N103 HydrophobicContact CD2-CB 4Å
46W76.6Confident63.2Low56 Ų5667.8 Ų67.821%0.21236%0.357CS..SBendtrans-120.1-6.4-177.4-62.399.5000114.4G44 I76 W78 R100 L104G44-W46 PolarHBondContact O-N 3.25Å; W46-I76 PolarHBondContact O-N 3.23Å; W46-W78 AromaticContact CH2-NE1 3.67Å; W46-R100 HydrophobicContact CZ2-CB 4.48Å; W46-R100 HydrophobicContact CZ2-CG 4.34Å; W46-L104 HydrophobicContact CH2-CD1 4.28Å; W46-L104 HydrophobicContact CZ2-CD1 4.2Å; W46-L104 HydrophobicContact CZ2-CD2 4.28Å; W46-L104 HydrophobicContact CZ2-CG 4.23Å
47R76.2Confident62.7Low132 Ų13270.7 Ų70.750%0.49836%0.361SS..EExtended strand (participates in β ladder)trans-144143.4-176.7-66.7-175.8179.4165.80.2110.7P28 G44 T74P28-R47 HydrophobicContact CB-CB 4.44Å; G44-R47 WeakPolarHBondContact CA-O 3.16Å; G44-R47 PolarHBondContact N-O 2.98Å; R47-T74 CarbonylContact C-O 3.39Å; R47-T74 VanDerWaalsContact CA-O 3.31Å; R47-T74 WeakPolarHBondContact CA-O 3.23Å
48M73.1Confident61.7Low14 Ų1472.9 Ų72.97%0.06937%0.373CS..EExtended strand (participates in β ladder)trans-111.3132.9169.2-157.1-178.6-162.600108.3R41 V43 C73 T74 I76 F82R41-M48 HydrophobicContact CB-CE 4.04Å; V43-M48 HydrophobicContact CG2-CE 3.51Å; V43-M48 HydrophobicContact CG2-CG 4.14Å; M48-C73 CarbonylContact O-C 3.56Å; M48-C73 WeakPolarHBondContact O-CA 3.4Å; M48-C73 WeakPolarHBondContact O-CB 3.41Å; M48-T74 PolarHBondContact N-O 3.48Å; M48-T74 PolarHBondContact O-N 2.96Å; M48-I76 HydrophobicContact CB-CD1 3.62Å; M48-I76 HydrophobicContact CB-CG1 4.07Å; M48-I76 HydrophobicContact CG-CD1 4.39Å; M48-F82 HydrophobicContact SD-CB 4.31Å
49C73.4Confident60.7Low5 Ų575.5 Ų75.53%0.03437%0.372CS..EExtended strand (participates in β ladder)trans-123.4139.7173.4-59.70000109.9P28 S42 A53 C73P28-C49 HydrophobicContact CB-CB 4.22Å; P28-C49 VanDerWaalsContact CB-SG 3.54Å; P28-C49 HydrophobicContact CG-CB 4.36Å; P28-C49 WeakPolarHBondContact CG-SG 3.31Å; S42-C49 PolarHBondContact N-O 3.44Å; S42-C49 PolarHBondContact O-N 3.26Å; S42-C49 PolarHBondContact OG-O 2.97Å; C49-A53 HydrophobicContact CB-CB 4.32Å; C49-C73 HydrophobicContact CB-CB 4.16Å; C49-C73 WeakPolarHBondContact CB-SG 3.4Å; C49-C73 WeakPolarHBondContact SG-CB 3.28Å; C49-C73 CovalentContact SG-SG 2.03Å; C49-C73 PolarHBondContact SG-SG 3.04Å
50P68.7Low59.7Low33 Ų3376.6 Ų76.621%0.21439%0.386CS..EExtended strand (participates in β ladder)trans-65.1143.9166.423.8-24.8000109.2G52 A53 R71P50-G52 PolarHBondContact O-N 2.87Å; P50-A53 PolarHBondContact O-N 2.94Å; P50-A53 VanDerWaalsContact O-N 3.1Å; P50-R71 HydrophobicContact CG-CB 3.68Å; P50-R71 HydrophobicContact CG-CG 4.49Å
51A59.5Low58.3Low51 Ų5179.3 Ų79.342%0.42140%0.401SS..THydrogen-bonded Turntrans-70.728.5-171.900000115.6K40K40-A51 HydrophobicContact CB-CB 3.39Å; K40-A51 WeakPolarHBondContact O-CB 3.38Å; K40-A51 PolarHBondContact O-N 3.27Å
52G52.8Low56.9Low62 Ų6279 Ų7964%0.63942%0.416SS*.THydrogen-bonded Turntrans-113.1-5.8166.500000113.6P50P50-G52 PolarHBondContact O-N 2.87Å
53A50.1Low55.2Low45 Ų4583.9 Ų83.937%0.37246%0.456SS..SBendtrans-88.6-27.1-177.600000113.7C49 P50 G56C49-A53 HydrophobicContact CB-CB 4.32Å; P50-A53 PolarHBondContact O-N 2.94Å; P50-A53 VanDerWaalsContact O-N 3.1Å; A53-G56 PolarHBondContact O-N 2.92Å
54E48.5Very low53.7Low85 Ų8587 Ų8740%0.39749%0.49SS..G310 helixtrans-78-24-178.5-70.5-162.6145.300113.7P28 S29 G56P28-E54 WeakPolarHBondContact CG-OE1 3.47Å; S29-E54 WeakPolarHBondContact CB-OE1 3.43Å; E54-G56 VanDerWaalsContact C-N 3.28Å; E54-G56 PolarHBondContact O-N 3.25Å
55R45.5Very low52.2Low217 Ų21799.2 Ų99.282%0.81954%0.536SS*.G310 helixtrans-76.8-12.1171.9-103.5179171.890-0.3113.6
56G42.3Very low50.3Low40 Ų40102.9 Ų102.941%0.41257%0.573SS.*G310 helixtrans-86.60.8-175.100000115.4A53 E54A53-G56 PolarHBondContact O-N 2.92Å; E54-G56 VanDerWaalsContact C-N 3.28Å; E54-G56 PolarHBondContact O-N 3.25Å
57R47Very low48.5Very low217 Ų217110 Ų11082%0.81961%0.609SS**G310 helixtrans-84.2-18.1177.2-151.5173.4-173.9170.20.2113.1
58D40.2Very low46.5Very low155 Ų155106.6 Ų106.683%0.82962%0.615SS**SBendtrans-94.5-11.7174-69.3-26.9000113.2
59D39Very low44.8Very low118 Ų118112.2 Ų112.263%0.63165%0.65SS**  trans-101.230.9179.6-80.6-40.9000113.4Q61D59-Q61 PolarHBondContact O-N 2.92Å; D59-Q61 VanDerWaalsContact O-N 3.09Å
60L40.2Very low43.3Very low146 Ų146119.5 Ų119.576%0.76468%0.683SS**THydrogen-bonded Turntrans-77.517.3178-109.1148.5000114.3
61Q38.9Very low42.7Very low199 Ų199126.5 Ų126.593%0.9371%0.705SS**THydrogen-bonded Turntrans-130.81.1179.3-88.7-176.6500116.5D59D59-Q61 PolarHBondContact O-N 2.92Å; D59-Q61 VanDerWaalsContact O-N 3.09Å
62A38.3Very low42.7Very low77 Ų77130.9 Ų130.964%0.63672%0.717SS**SBendtrans-126.7123.1-178.800000113.3
63A35.6Very low43.6Very low102 Ų102130.4 Ų130.484%0.84370%0.703SS**  trans82.195.4158.800000117.8
64G40Very low44.8Very low72 Ų72131.8 Ų131.874%0.74271%0.707SS**  trans-60.7160.6148.700000112.4
65R40Very low46Very low258 Ų258132 Ų13297%0.97472%0.723SS**  trans85.291.1175.7-58.9-176.8172.8-176.8-1.7115.8
66G30.4Very low47.3Very low76 Ų76122 Ų12278%0.78469%0.686SS**  trans170.690.6162.100000112.5G68G66-G68 PolarHBondContact O-N 3.49Å
67H39.1Very low48.6Very low207 Ų207121.8 Ų121.896%0.95868%0.684SS**  trans-67.890.9170.2-173.684.5000109.4
68G33.3Very low49.7Very low60 Ų60117.6 Ų117.662%0.61967%0.668SS**  trans-145.589.8-179.800000111.1G66 Q70G66-G68 PolarHBondContact O-N 3.49Å; G68-Q70 PolarHBondContact O-N 3.33Å
69T37.9Very low50.6Low131 Ų131112 Ų11280%0.80465%0.647SS**  trans22.385.5165.341.80000115.9R71T69-R71 VanDerWaalsContact C-N 3.31Å; T69-R71 PolarHBondContact O-N 3.42Å
70Q42.6Very low51.7Low158 Ų158107.6 Ų107.674%0.73863%0.626SS**  trans-51.696.6160.9-165.3179900107.6G68 H72G68-Q70 PolarHBondContact O-N 3.33Å; Q70-H72 VanDerWaalsContact C-N 3.29Å; Q70-H72 PolarHBondContact O-N 2.95Å
71R54.7Low52.6Low180 Ų180108.4 Ų108.468%0.67963%0.625SS**  trans-66.491.7-177.4-81.5-178.1174146.90.4108.4P50 T69 C73P50-R71 HydrophobicContact CG-CB 3.68Å; P50-R71 HydrophobicContact CG-CG 4.49Å; T69-R71 VanDerWaalsContact C-N 3.31Å; T69-R71 PolarHBondContact O-N 3.42Å; R71-C73 PolarHBondContact O-N 3.4Å
72H61Low53.5Low143 Ų143104.7 Ų104.766%0.66261%0.606SS**PPolyproline II helixtrans-57.9131.7-176.6-69.5-50.4000110.9Q70 T74Q70-H72 VanDerWaalsContact C-N 3.29Å; Q70-H72 PolarHBondContact O-N 2.95Å; H72-T74 PolarHBondContact O-N 3.4Å
73C71.2Confident54.2Low53 Ų53101.7 Ų101.736%0.35858%0.582SS.*PPolyproline II helixtrans-60.4129.2168.6-61.80000109M48 C49 R71M48-C73 CarbonylContact O-C 3.56Å; M48-C73 WeakPolarHBondContact O-CA 3.4Å; M48-C73 WeakPolarHBondContact O-CB 3.41Å; C49-C73 HydrophobicContact CB-CB 4.16Å; C49-C73 WeakPolarHBondContact CB-SG 3.4Å; C49-C73 WeakPolarHBondContact SG-CB 3.28Å; C49-C73 CovalentContact SG-SG 2.03Å; C49-C73 PolarHBondContact SG-SG 3.04Å; R71-C73 PolarHBondContact O-N 3.4Å
74T75Confident54.9Low74 Ų7497.9 Ų97.945%0.45455%0.552SS.*EExtended strand (participates in β ladder)trans-84.9132.5179.852.60000109.6R47 M48 H72R47-T74 CarbonylContact C-O 3.39Å; R47-T74 VanDerWaalsContact CA-O 3.31Å; R47-T74 WeakPolarHBondContact CA-O 3.23Å; M48-T74 PolarHBondContact N-O 3.48Å; M48-T74 PolarHBondContact O-N 2.96Å; H72-T74 PolarHBondContact O-N 3.4Å
75A72.9Confident55.2Low88 Ų8899.7 Ų99.773%0.72754%0.537SS*.EExtended strand (participates in β ladder)trans-69.7136.2171.200000109.4
76I74.7Confident55.4Low8 Ų893.9 Ų93.94%0.04152%0.521CS..  trans-117125.7180-46.2178.6000108.3V43 W46 M48 S80V43-I76 HydrophobicContact CG1-CD1 4.24Å; W46-I76 PolarHBondContact O-N 3.23Å; M48-I76 HydrophobicContact CB-CD1 3.62Å; M48-I76 HydrophobicContact CB-CG1 4.07Å; M48-I76 HydrophobicContact CG-CD1 4.39Å; I76-S80 WeakPolarHBondContact CG2-OG 3.48Å
77G69.5Low55.9Low36 Ų3698.8 Ų98.837%0.37152%0.524SS..  trans-108178.3176.300000113.2G79 S80 R100G77-G79 PolarHBondContact O-N 3.39Å; G77-S80 WeakPolarHBondContact O-CB 3.38Å; G77-S80 PolarHBondContact O-N 2.91Å; G77-S80 PolarHBondContact O-OG 3.18Å; G77-R100 PolarHBondContact O-NH1 3.22Å
78W70.1Confident56.4Low128 Ų12891.3 Ų91.349%0.48550%0.495SS..THydrogen-bonded Turntrans-51.5133169.8-65.296.8000110.8W46 S80 N97 R100 A101 L104W46-W78 AromaticContact CH2-NE1 3.67Å; W78-S80 VanDerWaalsContact C-N 3.31Å; W78-S80 PolarHBondContact O-N 3.46Å; W78-N97 HydrophobicContact CE3-CB 4.04Å; W78-N97 VanDerWaalsContact CH2-O 3.28Å; W78-N97 WeakPolarHBondContact CH2-O 3.26Å; W78-N97 HydrophobicContact CZ3-CB 3.74Å; W78-N97 WeakPolarHBondContact CZ3-O 3.4Å; W78-R100 HydrophobicContact CH2-CB 3.53Å; W78-R100 HydrophobicContact CZ2-CB 3.67Å; W78-R100 HydrophobicContact CZ3-CB 4.12Å; W78-A101 HydrophobicContact CH2-CB 3.92Å; W78-L104 HydrophobicContact CZ2-CD1 3.92Å
79G59.3Low57.5Low38 Ų3895.4 Ų95.439%0.39249%0.492SS..THydrogen-bonded Turntrans81.6-1.1176.800000116G77 K93G77-G79 PolarHBondContact O-N 3.39Å; G79-K93 WeakPolarHBondContact O-CE 3.34Å; G79-K93 PolarHBondContact O-NZ 2.85Å
80S62Low58.4Low25 Ų2593.5 Ų93.518%0.17548%0.484CS..  trans-55.7140.6176.164.20000113.3I76 G77 W78 F82I76-S80 WeakPolarHBondContact CG2-OG 3.48Å; G77-S80 WeakPolarHBondContact O-CB 3.38Å; G77-S80 PolarHBondContact O-N 2.91Å; G77-S80 PolarHBondContact O-OG 3.18Å; W78-S80 VanDerWaalsContact C-N 3.31Å; W78-S80 PolarHBondContact O-N 3.46Å; S80-F82 VanDerWaalsContact C-N 3.27Å; S80-F82 PolarHBondContact O-N 3.42Å
81E59.3Low59.4Low163 Ų16389.4 Ų89.476%0.76247%0.47SS*.THydrogen-bonded Turntrans-81.1-1.8179.9-57.6-149.8153.600114.5A83E81-A83 PolarHBondContact O-N 3.35Å
82F55.9Low59.9Low121 Ų12182 Ų8253%0.53144%0.444SS..THydrogen-bonded Turntrans-80.86.1-171.7-55.6-69.2000114.9M48 S80 G84M48-F82 HydrophobicContact SD-CB 4.31Å; S80-F82 VanDerWaalsContact C-N 3.27Å; S80-F82 PolarHBondContact O-N 3.42Å; F82-G84 VanDerWaalsContact C-N 3.27Å; F82-G84 PolarHBondContact O-N 2.92Å
83A54.5Low60.3Low15 Ų1578.2 Ų78.212%0.12443%0.426CS..SBendtrans-80.371.2177.400000111E81 V92 F96E81-A83 PolarHBondContact O-N 3.35Å; A83-V92 HydrophobicContact CB-CG1 4.32Å; A83-F96 HydrophobicContact CB-CD2 4.49Å
84G50.5Low60.4Low21 Ų2181 Ų8122%0.21644%0.437CS..SBendtrans44.1123.6157.300000122.3F82F82-G84 VanDerWaalsContact C-N 3.27Å; F82-G84 PolarHBondContact O-N 2.92Å
85Y46Very low60.4Low110 Ų11079.6 Ų79.643%0.43143%0.425SS..  trans56.8133.4168.3-110-88.2000118.5E36 E87E36-Y85 HydrophobicContact CG-CE2 4.49Å; E36-Y85 WeakPolarHBondContact CG-OH 3.39Å; E36-Y85 WeakPolarHBondContact OE1-CE1 3.27Å; E36-Y85 PolarHBondContact OE1-OH 2.91Å; Y85-E87 PolarHBondContact O-N 3.44Å; Y85-E87 VanDerWaalsContact O-N 3.09Å
86Q42.9Very low60.6Low137 Ų13776.1 Ų76.164%0.6439%0.394SS*.G310 helixtrans-56.6-24.2-173.8-105-99.7-9.900114.5R89Q86-R89 VanDerWaalsContact NE2-NH2 3.11Å
87E41.1Very low60.8Low179 Ų17977.3 Ų77.384%0.83640%0.4SS*.G310 helixtrans-88.5-11-167.3-83.8165.8136.700116.2Y85Y85-E87 PolarHBondContact O-N 3.44Å; Y85-E87 VanDerWaalsContact O-N 3.09Å
88S51.1Low61.4Low50 Ų5079.2 Ų79.235%0.3540%0.4SS..G310 helixtrans-147.544.3176.9-155.80000114.1S90 T91 V92S88-S90 PolarHBondContact O-N 3.48Å; S88-T91 PolarHBondContact O-N 2.85Å; S88-T91 PolarHBondContact OG-OG1 3.3Å; S88-V92 PolarHBondContact O-N 2.93Å
89R55.8Low62Low145 Ų14573.1 Ų73.155%0.54738%0.377SS..Hα-helixtrans-52.3-28.5-176.5-74.5178168.2-178.6-5.8115.2Q86 K93Q86-R89 VanDerWaalsContact NE2-NH2 3.11Å; R89-K93 WeakPolarHBondContact O-CB 3.42Å
90S56Low63.2Low92 Ų9271.5 Ų71.564%0.64336%0.359SS*.Hα-helixtrans-84.7-42.2-177.256.40000112.9S88 L94S88-S90 PolarHBondContact O-N 3.48Å; S90-L94 PolarHBondContact O-N 3.22Å
91T64.1Low64.4Low71 Ų7171.9 Ų71.944%0.43636%0.364SS..Hα-helixtrans-76.7-45.7-17569.80000111.3S88 K93 L94 Q95S88-T91 PolarHBondContact O-N 2.85Å; S88-T91 PolarHBondContact OG-OG1 3.3Å; T91-K93 VanDerWaalsContact C-N 3.31Å; T91-K93 PolarHBondContact O-N 2.9Å; T91-L94 PolarHBondContact O-N 3.41Å; T91-Q95 WeakPolarHBondContact O-CG 3.35Å; T91-Q95 PolarHBondContact O-N 3.01Å; T91-Q95 VanDerWaalsContact O-N 3.08Å
92V65.4Low65.8Low24 Ų2464.6 Ų64.615%0.14533%0.33CS..Hα-helixtrans-63.3-39.3-179.8-177.90000111A83 S88 Q95 F96 I159A83-V92 HydrophobicContact CB-CG1 4.32Å; S88-V92 PolarHBondContact O-N 2.93Å; V92-Q95 PolarHBondContact O-N 3.44Å; V92-F96 HydrophobicContact CG1-CD2 3.96Å; V92-F96 HydrophobicContact CG1-CE2 4.03Å; V92-F96 WeakPolarHBondContact O-CD2 3.5Å; V92-F96 PolarHBondContact O-N 2.89Å; V92-F96 VanDerWaalsContact O-N 3.09Å; V92-I159 HydrophobicContact CG1-CG2 4.26Å; V92-I159 HydrophobicContact CG2-CG2 4.25Å
93K69.2Low67.4Low64 Ų6459 Ų5928%0.27831%0.306SS..Hα-helixtrans-62.6-43175.7-174.1174.8-171.3169.90112.3G79 R89 T91 Q95 N97G79-K93 WeakPolarHBondContact O-CE 3.34Å; G79-K93 PolarHBondContact O-NZ 2.85Å; R89-K93 WeakPolarHBondContact O-CB 3.42Å; T91-K93 VanDerWaalsContact C-N 3.31Å; T91-K93 PolarHBondContact O-N 2.9Å; K93-Q95 VanDerWaalsContact C-N 3.34Å; K93-N97 WeakPolarHBondContact O-CB 3.31Å; K93-N97 VanDerWaalsContact O-CG 3.27Å; K93-N97 PolarHBondContact O-N 2.83Å; K93-N97 VanDerWaalsContact O-N 3.09Å; K93-N97 PolarHBondContact O-ND2 3.42Å
94L73.3Confident69.1Low112 Ų11261.8 Ų61.859%0.58632%0.319SS*.Hα-helixtrans-63.1-42.4177.8-176.664.4000111.3S90 T91 N97 M98S90-L94 PolarHBondContact O-N 3.22Å; T91-L94 PolarHBondContact O-N 3.41Å; L94-N97 PolarHBondContact O-N 3.06Å; L94-M98 WeakPolarHBondContact O-CB 3.3Å; L94-M98 PolarHBondContact O-N 3.43Å
95Q74.8Confident71.1Confident45 Ų4564.8 Ų64.821%0.2133%0.329CS..Hα-helixtrans-69.7-40.1-177.1-58.1-73-16.100112.3T91 V92 K93 M98 M99 T155 I159T91-Q95 WeakPolarHBondContact O-CG 3.35Å; T91-Q95 PolarHBondContact O-N 3.01Å; T91-Q95 VanDerWaalsContact O-N 3.08Å; V92-Q95 PolarHBondContact O-N 3.44Å; K93-Q95 VanDerWaalsContact C-N 3.34Å; Q95-M98 PolarHBondContact O-N 3.43Å; Q95-M99 PolarHBondContact O-N 2.95Å; Q95-T155 PolarHBondContact OE1-O 3.29Å; Q95-I159 HydrophobicContact CB-CD1 3.31Å; Q95-I159 HydrophobicContact CB-CG1 3.65Å; Q95-I159 HydrophobicContact CG-CD1 4.06Å; Q95-I159 HydrophobicContact CG-CG1 3.78Å
96F76.4Confident73.2Confident15 Ų1559.5 Ų59.57%0.06631%0.308CS..Hα-helixtrans-64.3-39.8172.2-92.9-88.1000112.6V31 V43 L45 A83 V92 M99 R100 F156V31-F96 HydrophobicContact CG2-CE2 4.48Å; V31-F96 HydrophobicContact CG2-CZ 3.79Å; V43-F96 HydrophobicContact CG1-CE1 4.27Å; V43-F96 HydrophobicContact CG1-CZ 4.32Å; L45-F96 HydrophobicContact CD1-CD1 4.24Å; A83-F96 HydrophobicContact CB-CD2 4.49Å; V92-F96 HydrophobicContact CG1-CD2 3.96Å; V92-F96 HydrophobicContact CG1-CE2 4.03Å; V92-F96 WeakPolarHBondContact O-CD2 3.5Å; V92-F96 PolarHBondContact O-N 2.89Å; V92-F96 VanDerWaalsContact O-N 3.09Å; F96-M99 PolarHBondContact O-N 3.23Å; F96-R100 WeakPolarHBondContact O-CG 3.5Å; F96-R100 PolarHBondContact O-N 2.93Å; F96-F156 HydrophobicContact CD1-CE2 4.39Å; F96-F156 HydrophobicContact CD2-CE2 4.47Å; F96-F156 AromaticContact CE1-CE2 3.93Å; F96-F156 HydrophobicContact CE1-CE2 3.93Å; F96-F156 HydrophobicContact CE2-CE2 4.02Å; F96-F156 AromaticContact CZ-CE2 3.74Å; F96-F156 HydrophobicContact CZ-CE2 3.74Å; F96-F156 HydrophobicContact CZ-CZ 4.26Å
97N80.2Confident75.6Confident33 Ų3354.1 Ų54.118%0.17628%0.284CS..Hα-helixtrans-65.2-40.5174.5-77.5-20.8000111.4W78 K93 L94 M99 R100 A101W78-N97 HydrophobicContact CE3-CB 4.04Å; W78-N97 VanDerWaalsContact CH2-O 3.28Å; W78-N97 WeakPolarHBondContact CH2-O 3.26Å; W78-N97 HydrophobicContact CZ3-CB 3.74Å; W78-N97 WeakPolarHBondContact CZ3-O 3.4Å; K93-N97 WeakPolarHBondContact O-CB 3.31Å; K93-N97 VanDerWaalsContact O-CG 3.27Å; K93-N97 PolarHBondContact O-N 2.83Å; K93-N97 VanDerWaalsContact O-N 3.09Å; K93-N97 PolarHBondContact O-ND2 3.42Å; L94-N97 PolarHBondContact O-N 3.06Å; N97-M99 VanDerWaalsContact C-N 3.35Å; N97-R100 WeakPolarHBondContact O-CB 3.43Å; N97-R100 PolarHBondContact O-N 3.23Å; N97-A101 PolarHBondContact O-N 3.32Å
98M81.9Confident78.1Confident75 Ų7550.2 Ų50.237%0.36927%0.273SS..Hα-helixtrans-63.4-42.6175.5-166.3167.3-179.700110.8L94 Q95 R100 A101 C102 I151 T155L94-M98 WeakPolarHBondContact O-CB 3.3Å; L94-M98 PolarHBondContact O-N 3.43Å; Q95-M98 PolarHBondContact O-N 3.43Å; M98-R100 PolarHBondContact O-N 2.88Å; M98-A101 WeakPolarHBondContact O-CB 3.48Å; M98-A101 PolarHBondContact O-N 3.02Å; M98-C102 WeakPolarHBondContact O-CB 3.44Å; M98-C102 PolarHBondContact O-N 2.86Å; M98-C102 PolarHBondContact O-SG 2.87Å; M98-I151 HydrophobicContact CE-CG2 3.68Å; M98-T155 HydrophobicContact CE-CG2 3.69Å; M98-T155 HydrophobicContact SD-CG2 3.65Å
99M82.6Confident80.1Confident0 Ų048 Ų480%026%0.257CS..Hα-helixtrans-64.1-38.6176-171.656-17000112.7W30 L45 Q95 F96 N97 C102 N103 G152 N172W30-M99 HydrophobicContact CH2-CE 3.2Å; W30-M99 HydrophobicContact CH2-CG 4.3Å; W30-M99 HydrophobicContact CZ2-CE 4.33Å; W30-M99 HydrophobicContact CZ3-CE 3.45Å; W30-M99 VanDerWaalsContact CZ3-CE 3.45Å; W30-M99 HydrophobicContact CZ3-CG 4.02Å; W30-M99 HydrophobicContact CZ3-SD 4.37Å; L45-M99 HydrophobicContact CD1-CB 4.02Å; L45-M99 HydrophobicContact CD1-CG 3.81Å; Q95-M99 PolarHBondContact O-N 2.95Å; F96-M99 PolarHBondContact O-N 3.23Å; N97-M99 VanDerWaalsContact C-N 3.35Å; M99-C102 PolarHBondContact O-N 3.44Å; M99-N103 VanDerWaalsContact O-CB 3.32Å; M99-N103 WeakPolarHBondContact O-CB 3.46Å; M99-N103 PolarHBondContact O-N 2.96Å; M99-G152 WeakPolarHBondContact SD-CA 3.26Å; M99-G152 VanDerWaalsContact SD-O 3.32Å; M99-N172 VanDerWaalsContact CE-ND2 3.25Å; M99-N172 WeakPolarHBondContact CE-ND2 3.37Å
100R84.6Confident81.8Confident5 Ų541.1 Ų41.12%0.01923%0.231CC..Hα-helixtrans-60.1-46.2170.8-76.3170.8-177.3170.9-2.4112.3L45 W46 G77 W78 F96 N97 M98 C102 N103 L104L45-R100 HydrophobicContact CD1-CG 3.86Å; L45-R100 HydrophobicContact CD2-CB 4.45Å; L45-R100 HydrophobicContact CD2-CG 3.84Å; L45-R100 HydrophobicContact CG-CG 3.47Å; L45-R100 VanDerWaalsContact CG-CG 3.47Å; L45-R100 PolarHBondContact O-NE 3.29Å; L45-R100 PolarHBondContact O-NH2 3.3Å; W46-R100 HydrophobicContact CZ2-CB 4.48Å; W46-R100 HydrophobicContact CZ2-CG 4.34Å; G77-R100 PolarHBondContact O-NH1 3.22Å; W78-R100 HydrophobicContact CH2-CB 3.53Å; W78-R100 HydrophobicContact CZ2-CB 3.67Å; W78-R100 HydrophobicContact CZ3-CB 4.12Å; F96-R100 WeakPolarHBondContact O-CG 3.5Å; F96-R100 PolarHBondContact O-N 2.93Å; N97-R100 WeakPolarHBondContact O-CB 3.43Å; N97-R100 PolarHBondContact O-N 3.23Å; M98-R100 PolarHBondContact O-N 2.88Å; R100-C102 VanDerWaalsContact C-N 3.35Å; R100-N103 PolarHBondContact O-N 3.44Å; R100-L104 WeakPolarHBondContact O-CG 3.5Å; R100-L104 PolarHBondContact O-N 2.91Å
101A87.3Confident83.6Confident33 Ų3339.7 Ų39.727%0.27322%0.219SC..Hα-helixtrans-61-48.4178.400000110W78 N97 M98 N103 L104 I105W78-A101 HydrophobicContact CH2-CB 3.92Å; N97-A101 PolarHBondContact O-N 3.32Å; M98-A101 WeakPolarHBondContact O-CB 3.48Å; M98-A101 PolarHBondContact O-N 3.02Å; A101-N103 PolarHBondContact O-N 3.31Å; A101-L104 PolarHBondContact O-N 2.65Å; A101-I105 WeakPolarHBondContact O-CB 3.09Å; A101-I105 VanDerWaalsContact O-CG1 3.26Å; A101-I105 WeakPolarHBondContact O-CG1 3.3Å; A101-I105 PolarHBondContact O-N 3.47Å
102C88.6Confident84.9Confident9 Ų937.9 Ų37.96%0.06121%0.211CC..Hα-helixtrans-58.9-46.5178.1-73.10000112.1M98 M99 R100 L104 I105 A106 V148M98-C102 WeakPolarHBondContact O-CB 3.44Å; M98-C102 PolarHBondContact O-N 2.86Å; M98-C102 PolarHBondContact O-SG 2.87Å; M99-C102 PolarHBondContact O-N 3.44Å; R100-C102 VanDerWaalsContact C-N 3.35Å; C102-L104 PolarHBondContact O-N 3.35Å; C102-I105 PolarHBondContact O-N 3.21Å; C102-A106 WeakPolarHBondContact O-CB 3.34Å; C102-A106 PolarHBondContact O-N 2.82Å; C102-V148 HydrophobicContact CB-CG1 3.68Å; C102-V148 WeakPolarHBondContact CB-O 3.42Å; C102-V148 VanDerWaalsContact O-CG1 3.32Å; C102-V148 WeakPolarHBondContact O-CG1 3.39Å; C102-V148 PolarHBondContact SG-O 3.01Å; C102-V148 VanDerWaalsContact SG-O 3.4Å
103N89.3Confident86Confident4 Ų436.8 Ų36.82%0.02121%0.205CC..Hα-helixtrans-62.8-40.2179-178.1-91.1000112.6N21 A25 L45 M99 R100 A101 T107N21-N103 VanDerWaalsContact CG-ND2 3.26Å; N21-N103 PolarHBondContact ND2-ND2 3Å; N21-N103 PolarHBondContact ND2-O 3.47Å; N21-N103 PolarHBondContact O-ND2 3.18Å; N21-N103 PolarHBondContact OD1-ND2 3.48Å; A25-N103 WeakPolarHBondContact CB-OD1 3.26Å; L45-N103 HydrophobicContact CD2-CB 4Å; M99-N103 VanDerWaalsContact O-CB 3.32Å; M99-N103 WeakPolarHBondContact O-CB 3.46Å; M99-N103 PolarHBondContact O-N 2.96Å; R100-N103 PolarHBondContact O-N 3.44Å; A101-N103 PolarHBondContact O-N 3.31Å; N103-T107 WeakPolarHBondContact O-CB 3.29Å; N103-T107 PolarHBondContact O-N 3.42Å; N103-T107 PolarHBondContact O-OG1 3.37Å
104L89.6Confident87.1Confident74 Ų7434.8 Ų34.839%0.38720%0.196SC..Hα-helixtrans-66.9-49.3175.6-74.8175.8000111.9W46 W78 R100 A101 C102 A106 T107 V108W46-L104 HydrophobicContact CH2-CD1 4.28Å; W46-L104 HydrophobicContact CZ2-CD1 4.2Å; W46-L104 HydrophobicContact CZ2-CD2 4.28Å; W46-L104 HydrophobicContact CZ2-CG 4.23Å; W78-L104 HydrophobicContact CZ2-CD1 3.92Å; R100-L104 WeakPolarHBondContact O-CG 3.5Å; R100-L104 PolarHBondContact O-N 2.91Å; A101-L104 PolarHBondContact O-N 2.65Å; C102-L104 PolarHBondContact O-N 3.35Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 2.96Å; L104-T107 WeakPolarHBondContact O-CB 3.41Å; L104-T107 PolarHBondContact O-N 3.38Å; L104-T107 VanDerWaalsContact O-N 3.13Å; L104-V108 WeakPolarHBondContact O-CG2 3.44Å; L104-V108 PolarHBondContact O-N 3.44Å
105I92.2Very high87.9Confident83 Ų8334.3 Ų34.343%0.42619%0.194SC..Hα-helixtrans-59.8-43.6178.7-67.9165.1000110A101 C102 T107 V108 A109 V148A101-I105 WeakPolarHBondContact O-CB 3.09Å; A101-I105 VanDerWaalsContact O-CG1 3.26Å; A101-I105 WeakPolarHBondContact O-CG1 3.3Å; A101-I105 PolarHBondContact O-N 3.47Å; C102-I105 PolarHBondContact O-N 3.21Å; I105-T107 VanDerWaalsContact C-N 3.33Å; I105-T107 PolarHBondContact O-N 2.98Å; I105-V108 PolarHBondContact O-N 3.41Å; I105-A109 VanDerWaalsContact O-CB 3.31Å; I105-A109 WeakPolarHBondContact O-CB 3.41Å; I105-A109 PolarHBondContact O-N 3.31Å; I105-V148 HydrophobicContact CB-CG1 4Å; I105-V148 HydrophobicContact CG2-CB 4.42Å; I105-V148 HydrophobicContact CG2-CG1 3.98Å; I105-V148 HydrophobicContact CG2-CG2 3.96Å
106A91.5Very high88.4Confident0 Ų034 Ų340%019%0.193CC..Hα-helixtrans-62.3-40.3176.400000112.1C102 L104 A109 L110 A145 L149C102-A106 WeakPolarHBondContact O-CB 3.34Å; C102-A106 PolarHBondContact O-N 2.82Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 2.96Å; A106-A109 PolarHBondContact O-N 2.99Å; A106-L110 WeakPolarHBondContact O-CB 3.24Å; A106-L110 VanDerWaalsContact O-CG 3.3Å; A106-L110 WeakPolarHBondContact O-CG 3.43Å; A106-L110 PolarHBondContact O-N 2.98Å; A106-A145 HydrophobicContact CB-CB 4.43Å; A106-L149 HydrophobicContact CB-CD1 4.14Å; A106-L149 HydrophobicContact CB-CD2 3.49Å; A106-L149 VanDerWaalsContact CB-CD2 3.49Å; A106-L149 HydrophobicContact CB-CG 3.57Å
107T91.9Very high88.9Confident23 Ų2334.8 Ų34.814%0.14120%0.197CC..Hα-helixtrans-63.3-47175.3-58.80000111L18 N21 N103 L104 I105 A109 L110 T111L18-T107 HydrophobicContact CD1-CG2 3.95Å; N21-T107 PolarHBondContact ND2-OG1 2.9Å; N103-T107 WeakPolarHBondContact O-CB 3.29Å; N103-T107 PolarHBondContact O-N 3.42Å; N103-T107 PolarHBondContact O-OG1 3.37Å; L104-T107 WeakPolarHBondContact O-CB 3.41Å; L104-T107 PolarHBondContact O-N 3.38Å; L104-T107 VanDerWaalsContact O-N 3.13Å; I105-T107 VanDerWaalsContact C-N 3.33Å; I105-T107 PolarHBondContact O-N 2.98Å; T107-A109 PolarHBondContact O-N 3.33Å; T107-L110 PolarHBondContact O-N 2.94Å; T107-T111 HydrophobicContact CG2-CG2 4.3Å; T107-T111 WeakPolarHBondContact O-CB 3.43Å; T107-T111 VanDerWaalsContact O-CG2 3.23Å; T107-T111 WeakPolarHBondContact O-CG2 3.23Å; T107-T111 PolarHBondContact O-N 3.37Å; T107-T111 PolarHBondContact O-OG1 2.99Å
108V94Very high89.1Confident97 Ų9738 Ų3859%0.58821%0.213SC*.Hα-helixtrans-60.2-46.8176.7172.70000110.7L104 I105 T111 A112L104-V108 WeakPolarHBondContact O-CG2 3.44Å; L104-V108 PolarHBondContact O-N 3.44Å; I105-V108 PolarHBondContact O-N 3.41Å; V108-T111 WeakPolarHBondContact CA-OG1 3.16Å; V108-T111 PolarHBondContact O-N 3.37Å; V108-T111 PolarHBondContact O-OG1 3.37Å; V108-A112 VanDerWaalsContact O-CB 3.24Å; V108-A112 WeakPolarHBondContact O-CB 3.43Å; V108-A112 PolarHBondContact O-N 3.47Å
109A93.1Very high89.1Confident4 Ų438 Ų383%0.03321%0.214CC..Hα-helixtrans-63.1-45.7-179.900000112.5I105 A106 T107 G113 L144 A145I105-A109 VanDerWaalsContact O-CB 3.31Å; I105-A109 WeakPolarHBondContact O-CB 3.41Å; I105-A109 PolarHBondContact O-N 3.31Å; A106-A109 PolarHBondContact O-N 2.99Å; T107-A109 PolarHBondContact O-N 3.33Å; A109-G113 PolarHBondContact O-N 2.98Å; A109-L144 HydrophobicContact CB-CD2 3.98Å; A109-A145 HydrophobicContact CB-CB 3.9Å
110L92.1Very high88.8Confident0 Ų039.3 Ų39.30%023%0.228CC..Hα-helixtrans-64.5-47.4176.5-73.1169.8000111.2A14 L18 A106 T107 A112 G113 Q114 F142 A145A14-L110 HydrophobicContact CB-CD2 4.24Å; L18-L110 HydrophobicContact CB-CB 4.25Å; L18-L110 HydrophobicContact CB-CD1 4.09Å; L18-L110 HydrophobicContact CD1-CB 3.64Å; L18-L110 HydrophobicContact CD1-CD1 4.2Å; L18-L110 HydrophobicContact CG-CB 4.5Å; A106-L110 WeakPolarHBondContact O-CB 3.24Å; A106-L110 VanDerWaalsContact O-CG 3.3Å; A106-L110 WeakPolarHBondContact O-CG 3.43Å; A106-L110 PolarHBondContact O-N 2.98Å; T107-L110 PolarHBondContact O-N 2.94Å; L110-A112 PolarHBondContact O-N 2.96Å; L110-G113 PolarHBondContact O-N 3.16Å; L110-Q114 WeakPolarHBondContact O-CG 3.13Å; L110-Q114 PolarHBondContact O-N 3.38Å; L110-F142 HydrophobicContact CD2-CD1 3.89Å; L110-F142 HydrophobicContact CD2-CE1 4.27Å; L110-A145 HydrophobicContact CD1-CB 4.39Å; L110-A145 HydrophobicContact CD2-CB 3.94Å; L110-A145 HydrophobicContact CG-CB 3.69Å
111T93.6Very high88.3Confident63 Ų6342.1 Ų42.139%0.38724%0.243SC..Hα-helixtrans-62.1-40.5178.254.40000112.6L18 T107 V108 Q114 L115L18-T111 HydrophobicContact CD1-CG2 3.74Å; L18-T111 HydrophobicContact CD2-CG2 3.96Å; T107-T111 HydrophobicContact CG2-CG2 4.3Å; T107-T111 WeakPolarHBondContact O-CB 3.43Å; T107-T111 VanDerWaalsContact O-CG2 3.23Å; T107-T111 WeakPolarHBondContact O-CG2 3.23Å; T107-T111 PolarHBondContact O-N 3.37Å; T107-T111 PolarHBondContact O-OG1 2.99Å; V108-T111 WeakPolarHBondContact CA-OG1 3.16Å; V108-T111 PolarHBondContact O-N 3.37Å; V108-T111 PolarHBondContact O-OG1 3.37Å; T111-Q114 PolarHBondContact O-N 2.95Å; T111-L115 WeakPolarHBondContact O-CB 3.21Å; T111-L115 PolarHBondContact O-N 3.41Å
112A92.2Very high87.6Confident33 Ų3347.2 Ų47.227%0.27326%0.263SS..Hα-helixtrans-61.3-45.3174.600000111.2V108 L110 Q114 L115 I116 L141V108-A112 VanDerWaalsContact O-CB 3.24Å; V108-A112 WeakPolarHBondContact O-CB 3.43Å; V108-A112 PolarHBondContact O-N 3.47Å; L110-A112 PolarHBondContact O-N 2.96Å; A112-Q114 VanDerWaalsContact C-N 3.35Å; A112-Q114 PolarHBondContact O-N 3.38Å; A112-L115 PolarHBondContact O-N 3.07Å; A112-I116 VanDerWaalsContact O-CG1 3.26Å; A112-I116 WeakPolarHBondContact O-CG1 3.33Å; A112-I116 PolarHBondContact O-N 3.49Å; A112-L141 HydrophobicContact CB-CD1 4.08Å; A112-L141 HydrophobicContact CB-CD2 4.5Å
113G88.6Confident86.5Confident0 Ų053.7 Ų53.70%029%0.292CS..Hα-helixtrans-62.5-39.4176.400000113A109 L110 F117A109-G113 PolarHBondContact O-N 2.98Å; L110-G113 PolarHBondContact O-N 3.16Å; G113-F117 PolarHBondContact O-N 3.41Å; G113-F117 VanDerWaalsContact O-N 3.1Å
114Q91.3Very high84.9Confident22 Ų2257.4 Ų57.410%0.10331%0.311CS..Hα-helixtrans-65.3-40.9174.4-63.3-68.7-39.500111.8V11 L110 T111 A112 F117 L118V11-Q114 PolarHBondContact O-NE2 2.8Å; L110-Q114 WeakPolarHBondContact O-CG 3.13Å; L110-Q114 PolarHBondContact O-N 3.38Å; T111-Q114 PolarHBondContact O-N 2.95Å; A112-Q114 VanDerWaalsContact C-N 3.35Å; A112-Q114 PolarHBondContact O-N 3.38Å; Q114-F117 WeakPolarHBondContact O-CB 3.39Å; Q114-F117 PolarHBondContact O-N 2.62Å; Q114-L118 WeakPolarHBondContact O-CG 3.36Å; Q114-L118 PolarHBondContact O-N 3.04Å
115L90.2Very high83.2Confident103 Ų10358.8 Ų58.854%0.53933%0.325SS..Hα-helixtrans-65.9-42.6178.5-172.770.4000111.6T111 A112 F117 L118 L119T111-L115 WeakPolarHBondContact O-CB 3.21Å; T111-L115 PolarHBondContact O-N 3.41Å; A112-L115 PolarHBondContact O-N 3.07Å; L115-F117 VanDerWaalsContact C-N 3.28Å; L115-F117 PolarHBondContact O-N 2.94Å; L115-L118 PolarHBondContact O-N 2.91Å; L115-L119 HydrophobicContact CG-CD1 4.11Å; L115-L119 WeakPolarHBondContact O-CB 3.49Å; L115-L119 WeakPolarHBondContact O-CG 3.31Å; L115-L119 PolarHBondContact O-N 2.86Å
116I86.4Confident81.3Confident39 Ų3964.8 Ų64.820%0.235%0.348CS..Hα-helixtrans-61.3-40.5176-66.5163.9000110.2A112 L119 G120 W134 I138 L141A112-I116 VanDerWaalsContact O-CG1 3.26Å; A112-I116 WeakPolarHBondContact O-CG1 3.33Å; A112-I116 PolarHBondContact O-N 3.49Å; I116-L119 PolarHBondContact O-N 3.44Å; I116-G120 PolarHBondContact O-N 3.35Å; I116-W134 HydrophobicContact CG2-CB 4.07Å; I116-I138 HydrophobicContact CB-CD1 4.42Å; I116-I138 HydrophobicContact CB-CG1 3.99Å; I116-I138 HydrophobicContact CG2-CD1 3.95Å; I116-I138 HydrophobicContact CG2-CG1 3.69Å; I116-L141 HydrophobicContact CD1-CD1 3.41Å; I116-L141 VanDerWaalsContact CD1-CD1 3.41Å
117F85.4Confident79.4Confident31 Ų3167.2 Ų67.214%0.13636%0.363CS..Hα-helixtrans-61.3-44.1173.9177.5-103.5000112.5V7 A8 V11 G113 Q114 L115 G120 L121 W134 I138V7-F117 HydrophobicContact CG1-CD2 4.15Å; V7-F117 HydrophobicContact CG1-CE2 3.85Å; A8-F117 HydrophobicContact CB-CZ 4.48Å; V11-F117 HydrophobicContact CB-CD1 4.32Å; V11-F117 HydrophobicContact CB-CE1 4.38Å; V11-F117 HydrophobicContact CB-CG 4.38Å; V11-F117 HydrophobicContact CG1-CB 4.39Å; V11-F117 HydrophobicContact CG1-CD1 3.62Å; V11-F117 HydrophobicContact CG1-CE1 3.93Å; V11-F117 HydrophobicContact CG1-CG 3.95Å; V11-F117 HydrophobicContact CG2-CB 4.18Å; V11-F117 HydrophobicContact CG2-CD1 4.17Å; V11-F117 HydrophobicContact CG2-CD2 3.66Å; V11-F117 HydrophobicContact CG2-CE1 4.45Å; V11-F117 HydrophobicContact CG2-CE2 4.01Å; V11-F117 HydrophobicContact CG2-CG 3.73Å; V11-F117 HydrophobicContact CG2-CZ 4.37Å; G113-F117 PolarHBondContact O-N 3.41Å; G113-F117 VanDerWaalsContact O-N 3.1Å; Q114-F117 WeakPolarHBondContact O-CB 3.39Å; Q114-F117 PolarHBondContact O-N 2.62Å; L115-F117 VanDerWaalsContact C-N 3.28Å; L115-F117 PolarHBondContact O-N 2.94Å; F117-G120 PolarHBondContact O-N 2.93Å; F117-L121 HydrophobicContact CD1-CD1 4Å; F117-L121 HydrophobicContact CD1-CG 4.47Å; F117-L121 HydrophobicContact CE1-CD1 3.45Å; F117-L121 VanDerWaalsContact CE1-CD1 3.45Å; F117-L121 HydrophobicContact CE1-CG 4.12Å; F117-L121 HydrophobicContact CZ-CD1 3.84Å; F117-L121 HydrophobicContact CZ-CD2 4.31Å; F117-L121 HydrophobicContact CZ-CG 4.15Å; F117-L121 WeakPolarHBondContact O-CG 3.46Å; F117-L121 PolarHBondContact O-N 3.47Å; F117-W134 HydrophobicContact CD2-CZ3 4.38Å; F117-I138 HydrophobicContact CB-CD1 4.02Å
118L85.5Confident77.3Confident99 Ų9970.8 Ų70.852%0.51839%0.385SS..Hα-helixtrans-64.5-40.6176.5-69.3175000112.5Q114 L115 G120 L121 M122Q114-L118 WeakPolarHBondContact O-CG 3.36Å; Q114-L118 PolarHBondContact O-N 3.04Å; L115-L118 PolarHBondContact O-N 2.91Å; L118-G120 VanDerWaalsContact C-N 3.31Å; L118-G120 PolarHBondContact O-N 3.36Å; L118-L121 HydrophobicContact CD2-CD1 4.48Å; L118-L121 WeakPolarHBondContact O-CB 3.5Å; L118-L121 PolarHBondContact O-N 3.35Å; L118-L121 VanDerWaalsContact O-N 3.15Å; L118-M122 WeakPolarHBondContact O-CG 3.42Å; L118-M122 PolarHBondContact O-N 3.47Å; L118-M122 VanDerWaalsContact O-N 3.07Å
119L82.1Confident74.8Confident76 Ų7674.8 Ų74.840%0.39840%0.397SS..Hα-helixtrans-61.9-41174.3-74.4163.1000111.2L115 I116 L121 M122 L124L115-L119 HydrophobicContact CG-CD1 4.11Å; L115-L119 WeakPolarHBondContact O-CB 3.49Å; L115-L119 WeakPolarHBondContact O-CG 3.31Å; L115-L119 PolarHBondContact O-N 2.86Å; I116-L119 PolarHBondContact O-N 3.44Å; L119-L121 VanDerWaalsContact C-N 3.29Å; L119-L121 PolarHBondContact O-N 3.12Å; L119-M122 PolarHBondContact O-N 2.76Å; L119-L124 HydrophobicContact CD2-CD1 3.69Å
120G74.4Confident72.9Confident27 Ų2782.7 Ų82.728%0.27843%0.434SS..Hα-helixtrans-63.6-31.7173.400000113.3I116 F117 L118I116-G120 PolarHBondContact O-N 3.35Å; F117-G120 PolarHBondContact O-N 2.93Å; L118-G120 VanDerWaalsContact C-N 3.31Å; L118-G120 PolarHBondContact O-N 3.36Å
121L75.4Confident71.2Confident65 Ų6587 Ų8734%0.3446%0.464SS..Hα-helixtrans-75-28.5174.5-73.1178.8000113.9F117 L118 L119 E123F117-L121 HydrophobicContact CD1-CD1 4Å; F117-L121 HydrophobicContact CD1-CG 4.47Å; F117-L121 HydrophobicContact CE1-CD1 3.45Å; F117-L121 VanDerWaalsContact CE1-CD1 3.45Å; F117-L121 HydrophobicContact CE1-CG 4.12Å; F117-L121 HydrophobicContact CZ-CD1 3.84Å; F117-L121 HydrophobicContact CZ-CD2 4.31Å; F117-L121 HydrophobicContact CZ-CG 4.15Å; F117-L121 WeakPolarHBondContact O-CG 3.46Å; F117-L121 PolarHBondContact O-N 3.47Å; L118-L121 HydrophobicContact CD2-CD1 4.48Å; L118-L121 WeakPolarHBondContact O-CB 3.5Å; L118-L121 PolarHBondContact O-N 3.35Å; L118-L121 VanDerWaalsContact O-N 3.15Å; L119-L121 VanDerWaalsContact C-N 3.29Å; L119-L121 PolarHBondContact O-N 3.12Å; L121-E123 VanDerWaalsContact C-N 3.26Å; L121-E123 PolarHBondContact O-N 3.42Å
122M72.6Confident69.8Low139 Ų13988.7 Ų88.769%0.68547%0.467SS*.THydrogen-bonded Turntrans-84.66.6-176.9-69.9-69.6102.100113.8L118 L119 L124L118-M122 WeakPolarHBondContact O-CG 3.42Å; L118-M122 PolarHBondContact O-N 3.47Å; L118-M122 VanDerWaalsContact O-N 3.07Å; L119-M122 PolarHBondContact O-N 2.76Å; M122-L124 HydrophobicContact CB-CD1 4.4Å; M122-L124 PolarHBondContact O-N 2.98Å
123E64.3Low68.9Low145 Ų14594.2 Ų94.268%0.67848%0.481SS*.THydrogen-bonded Turntrans40.641.8175.5-68.2-177.6-179.100113.5L121L121-E123 VanDerWaalsContact C-N 3.26Å; L121-E123 PolarHBondContact O-N 3.42Å
124L57.2Low68.3Low82 Ų8296.8 Ų96.843%0.42949%0.491SS..  trans-64.2127.8-179.6-82.8153.1000109.2L119 M122 F126 V127L119-L124 HydrophobicContact CD2-CD1 3.69Å; M122-L124 HydrophobicContact CB-CD1 4.4Å; M122-L124 PolarHBondContact O-N 2.98Å; L124-F126 PolarHBondContact O-N 3.47Å; L124-V127 PolarHBondContact O-N 2.92Å
125P54.3Low67.7Low104 Ų10496.8 Ų96.868%0.67549%0.491SS*.THydrogen-bonded Turntrans-65.8-5-171.725.4-35000114.5V127 T128P125-V127 VanDerWaalsContact C-N 3.33Å; P125-T128 PolarHBondContact O-OG1 2.86Å
126F52.1Low67.4Low208 Ų20896 Ų9691%0.91248%0.484SS*.THydrogen-bonded Turntrans-78.2-15.4171.2-99.4-87.1000113.5L124L124-F126 PolarHBondContact O-N 3.47Å
127V51.2Low67.3Low51 Ų5195.4 Ų95.431%0.30949%0.485SS..SBendtrans-111.2-3-1731790000112.2L124 P125 Q129 W133L124-V127 PolarHBondContact O-N 2.92Å; P125-V127 VanDerWaalsContact C-N 3.33Å; V127-Q129 VanDerWaalsContact C-N 3.34Å; V127-Q129 PolarHBondContact O-N 2.85Å; V127-W133 HydrophobicContact CG1-CZ2 4.06Å
128T46.6Very low67.3Low98 Ų9894 Ų9460%0.60148%0.479SS*.  trans-84.18-169.649.60000115.5P125P125-T128 PolarHBondContact O-OG1 2.86Å
129Q43.3Very low67.4Low181 Ų18189.5 Ų89.585%0.84646%0.457SS*.SBendtrans-96-21-165.8-154.6155.1-16.200117V127V127-Q129 VanDerWaalsContact C-N 3.34Å; V127-Q129 PolarHBondContact O-N 2.85Å
130E51.6Low67.7Low171 Ų17188.9 Ų88.980%0.79946%0.462SS*.SBendtrans-155.2122.1164.8-79.4-161.6138.900110.2Q132E130-Q132 PolarHBondContact O-N 3.44Å
131S57.5Low68.4Low90 Ų9089.4 Ų89.463%0.62946%0.458SS*.THydrogen-bonded Turntrans-897.1-140.3520000117.9W134S131-W134 PolarHBondContact O-NE1 2.87Å
132Q63.5Low69.1Low99 Ų9986.3 Ų86.346%0.46344%0.442SS..THydrogen-bonded Turntrans-119.6-18.8-166.1-161.9173.1-42.700116.2E130 W134 E135 E136E130-Q132 PolarHBondContact O-N 3.44Å; Q132-W134 VanDerWaalsContact C-N 3.3Å; Q132-W134 PolarHBondContact O-N 3.45Å; Q132-E135 PolarHBondContact O-N 2.99Å; Q132-E136 PolarHBondContact NE2-OE1 3.3Å
133W73.6Confident70Confident149 Ų14983.9 Ų83.956%0.56443%0.429SS*.Hα-helixtrans-64.8-29.7-171.572.4-83.7000114.4V127 A137V127-W133 HydrophobicContact CG1-CZ2 4.06Å; W133-A137 HydrophobicContact CE3-CB 4.49Å; W133-A137 VanDerWaalsContact O-CB 3.26Å; W133-A137 WeakPolarHBondContact O-CB 3.27Å; W133-A137 PolarHBondContact O-N 3.02Å
134W76.6Confident71.3Confident53 Ų5381 Ų8120%0.20142%0.418CS..Hα-helixtrans-75.6-35.5-174.267.6-83.5000112.4I116 F117 S131 Q132 A137 I138I116-W134 HydrophobicContact CG2-CB 4.07Å; F117-W134 HydrophobicContact CD2-CZ3 4.38Å; S131-W134 PolarHBondContact O-NE1 2.87Å; Q132-W134 VanDerWaalsContact C-N 3.3Å; Q132-W134 PolarHBondContact O-N 3.45Å; W134-A137 PolarHBondContact O-N 3.13Å; W134-I138 HydrophobicContact CE3-CD1 3.53Å; W134-I138 HydrophobicContact CZ3-CD1 3.77Å; W134-I138 WeakPolarHBondContact O-CG1 3.44Å; W134-I138 PolarHBondContact O-N 3.45Å
135E78.2Confident72.8Confident23 Ų2377.1 Ų77.111%0.10740%0.398CS..Hα-helixtrans-65.4-43.4174.9-67.4-171.8177.600110.7Q132 I138 A139 R193Q132-E135 PolarHBondContact O-N 2.99Å; E135-I138 PolarHBondContact O-N 2.87Å; E135-A139 PolarHBondContact O-N 3.05Å; E135-R193 IonicContact OE1-NH1 2.69Å; E135-R193 IonicContact OE2-NH1 3.75Å
136E82.8Confident74.5Confident85 Ų8572.5 Ų72.540%0.39737%0.368SS..Hα-helixtrans-64.5-41175.9-65.1-179.3-171.600111.5Q132 A139 A140 I190Q132-E136 PolarHBondContact NE2-OE1 3.3Å; E136-A139 PolarHBondContact O-N 2.9Å; E136-A140 WeakPolarHBondContact O-CB 3.42Å; E136-A140 PolarHBondContact O-N 2.94Å; E136-I190 HydrophobicContact CG-CD1 4.22Å
137A85.5Confident76.3Confident27 Ų2768.7 Ų68.722%0.22335%0.351CS..Hα-helixtrans-63.8-42.6175.900000112.6W133 W134 A140 L141W133-A137 HydrophobicContact CE3-CB 4.49Å; W133-A137 VanDerWaalsContact O-CB 3.26Å; W133-A137 WeakPolarHBondContact O-CB 3.27Å; W133-A137 PolarHBondContact O-N 3.02Å; W134-A137 PolarHBondContact O-N 3.13Å; A137-A140 PolarHBondContact O-N 2.82Å; A137-L141 VanDerWaalsContact O-CG 3.31Å; A137-L141 WeakPolarHBondContact O-CG 3.41Å; A137-L141 PolarHBondContact O-N 3.03Å
138I85.9Confident78.2Confident2 Ų267.1 Ų67.11%0.0134%0.341CS..Hα-helixtrans-63.5-45.1176.3-65.3164.4000110.2I116 F117 W134 E135 A140 L141 F142 L186I116-I138 HydrophobicContact CB-CD1 4.42Å; I116-I138 HydrophobicContact CB-CG1 3.99Å; I116-I138 HydrophobicContact CG2-CD1 3.95Å; I116-I138 HydrophobicContact CG2-CG1 3.69Å; F117-I138 HydrophobicContact CB-CD1 4.02Å; W134-I138 HydrophobicContact CE3-CD1 3.53Å; W134-I138 HydrophobicContact CZ3-CD1 3.77Å; W134-I138 WeakPolarHBondContact O-CG1 3.44Å; W134-I138 PolarHBondContact O-N 3.45Å; E135-I138 PolarHBondContact O-N 2.87Å; I138-A140 VanDerWaalsContact C-N 3.32Å; I138-A140 PolarHBondContact O-N 2.78Å; I138-L141 PolarHBondContact O-N 3.31Å; I138-F142 HydrophobicContact CG2-CD1 4.45Å; I138-F142 HydrophobicContact CG2-CD2 3.89Å; I138-F142 HydrophobicContact CG2-CE1 4.09Å; I138-F142 HydrophobicContact CG2-CE2 3.45Å; I138-F142 VanDerWaalsContact CG2-CE2 3.45Å; I138-F142 HydrophobicContact CG2-CG 4.37Å; I138-F142 HydrophobicContact CG2-CZ 3.55Å; I138-F142 WeakPolarHBondContact O-CG 3.34Å; I138-F142 PolarHBondContact O-N 3.17Å; I138-L186 HydrophobicContact CB-CD1 4.32Å; I138-L186 HydrophobicContact CG2-CD1 3.54Å
139A86.8Confident80.1Confident5 Ų562.4 Ų62.44%0.04131%0.313CS..Hα-helixtrans-58.8-44.7177.700000111.4E135 E136 L141 F142 Q143 L186 I187 I190E135-A139 PolarHBondContact O-N 3.05Å; E136-A139 PolarHBondContact O-N 2.9Å; A139-L141 PolarHBondContact O-N 3.48Å; A139-F142 PolarHBondContact O-N 3.27Å; A139-Q143 VanDerWaalsContact O-CB 3.3Å; A139-Q143 WeakPolarHBondContact O-CB 3.45Å; A139-Q143 PolarHBondContact O-N 3.39Å; A139-L186 HydrophobicContact CB-CB 3.95Å; A139-L186 HydrophobicContact CB-CD1 4.44Å; A139-I187 HydrophobicContact CB-CG1 4.26Å; A139-I190 HydrophobicContact CB-CD1 3.87Å
140A88.1Confident82.2Confident62 Ų6256.7 Ų56.751%0.51229%0.29SS..Hα-helixtrans-61.9-41.5176.300000112.5E136 A137 I138 Q143 L144E136-A140 WeakPolarHBondContact O-CB 3.42Å; E136-A140 PolarHBondContact O-N 2.94Å; A137-A140 PolarHBondContact O-N 2.82Å; I138-A140 VanDerWaalsContact C-N 3.32Å; I138-A140 PolarHBondContact O-N 2.78Å; A140-Q143 PolarHBondContact O-N 3.02Å; A140-L144 WeakPolarHBondContact O-CB 3.33Å; A140-L144 PolarHBondContact O-N 3.46Å
141L90.3Very high83.9Confident39 Ų3951.2 Ų51.220%0.20427%0.265CS..Hα-helixtrans-67.7-42.3179-74.4168000112.8A112 I116 A137 I138 A139 Q143 L144 A145A112-L141 HydrophobicContact CB-CD1 4.08Å; A112-L141 HydrophobicContact CB-CD2 4.5Å; I116-L141 HydrophobicContact CD1-CD1 3.41Å; I116-L141 VanDerWaalsContact CD1-CD1 3.41Å; A137-L141 VanDerWaalsContact O-CG 3.31Å; A137-L141 WeakPolarHBondContact O-CG 3.41Å; A137-L141 PolarHBondContact O-N 3.03Å; I138-L141 PolarHBondContact O-N 3.31Å; A139-L141 PolarHBondContact O-N 3.48Å; L141-Q143 VanDerWaalsContact C-N 3.33Å; L141-L144 PolarHBondContact O-N 3.12Å; L141-A145 WeakPolarHBondContact O-CB 2.96Å; L141-A145 PolarHBondContact O-N 3.09Å
142F90Very high85.1Confident0 Ų046.9 Ų46.90%024%0.235CC..Hα-helixtrans-67.2-37.1176.1-67.5-8.8000111.6V11 A14 L110 I138 A139 A145 S146 A182 A183 L186V11-F142 HydrophobicContact CG2-CE2 4.39Å; A14-F142 HydrophobicContact CB-CD1 4.21Å; A14-F142 HydrophobicContact CB-CD2 3.86Å; A14-F142 HydrophobicContact CB-CE1 3.83Å; A14-F142 HydrophobicContact CB-CE2 3.47Å; A14-F142 VanDerWaalsContact CB-CE2 3.47Å; A14-F142 HydrophobicContact CB-CG 4.23Å; A14-F142 HydrophobicContact CB-CZ 3.46Å; A14-F142 VanDerWaalsContact CB-CZ 3.46Å; L110-F142 HydrophobicContact CD2-CD1 3.89Å; L110-F142 HydrophobicContact CD2-CE1 4.27Å; I138-F142 HydrophobicContact CG2-CD1 4.45Å; I138-F142 HydrophobicContact CG2-CD2 3.89Å; I138-F142 HydrophobicContact CG2-CE1 4.09Å; I138-F142 HydrophobicContact CG2-CE2 3.45Å; I138-F142 VanDerWaalsContact CG2-CE2 3.45Å; I138-F142 HydrophobicContact CG2-CG 4.37Å; I138-F142 HydrophobicContact CG2-CZ 3.55Å; I138-F142 WeakPolarHBondContact O-CG 3.34Å; I138-F142 PolarHBondContact O-N 3.17Å; A139-F142 PolarHBondContact O-N 3.27Å; F142-A145 PolarHBondContact O-N 3.18Å; F142-S146 WeakPolarHBondContact O-CB 3.11Å; F142-S146 PolarHBondContact O-N 3.46Å; F142-A182 HydrophobicContact CD2-CB 4.2Å; F142-A183 HydrophobicContact CB-CB 4.03Å; F142-L186 HydrophobicContact CD2-CD1 3.53Å; F142-L186 HydrophobicContact CE2-CD1 3.72Å
143Q91.6Very high85.9Confident88 Ų8843.7 Ų43.741%0.41122%0.221SC..Hα-helixtrans-66-42.7174.1-172.865.42.100112.1A139 A140 L141 S146 F147 A183A139-Q143 VanDerWaalsContact O-CB 3.3Å; A139-Q143 WeakPolarHBondContact O-CB 3.45Å; A139-Q143 PolarHBondContact O-N 3.39Å; A140-Q143 PolarHBondContact O-N 3.02Å; L141-Q143 VanDerWaalsContact C-N 3.33Å; Q143-S146 WeakPolarHBondContact O-CB 3.35Å; Q143-S146 PolarHBondContact O-N 3.28Å; Q143-F147 WeakPolarHBondContact O-CB 3.47Å; Q143-F147 PolarHBondContact O-N 2.95Å; Q143-A183 HydrophobicContact CB-CB 4.18Å
144L90.5Very high86.3Confident85 Ų8540.7 Ų40.745%0.44522%0.219SC..Hα-helixtrans-58.2-48.2173.7-175.888.7000110.7A109 A140 L141 S146 F147 V148A109-L144 HydrophobicContact CB-CD2 3.98Å; A140-L144 WeakPolarHBondContact O-CB 3.33Å; A140-L144 PolarHBondContact O-N 3.46Å; L141-L144 PolarHBondContact O-N 3.12Å; L144-S146 VanDerWaalsContact C-N 3.35Å; L144-S146 PolarHBondContact O-N 2.94Å; L144-F147 PolarHBondContact O-N 3.36Å; L144-V148 HydrophobicContact CG-CG2 4.46Å; L144-V148 WeakPolarHBondContact O-CB 3.5Å; L144-V148 VanDerWaalsContact O-CG2 3.26Å; L144-V148 WeakPolarHBondContact O-CG2 3.44Å; L144-V148 PolarHBondContact O-N 3.17Å
145A89.4Confident86.2Confident0 Ų039.4 Ų39.40%022%0.217CC..Hα-helixtrans-58.2-47.9178.800000111.6A106 A109 L110 L141 F142 V148 L149A106-A145 HydrophobicContact CB-CB 4.43Å; A109-A145 HydrophobicContact CB-CB 3.9Å; L110-A145 HydrophobicContact CD1-CB 4.39Å; L110-A145 HydrophobicContact CD2-CB 3.94Å; L110-A145 HydrophobicContact CG-CB 3.69Å; L141-A145 WeakPolarHBondContact O-CB 2.96Å; L141-A145 PolarHBondContact O-N 3.09Å; F142-A145 PolarHBondContact O-N 3.18Å; A145-V148 PolarHBondContact O-N 2.98Å; A145-L149 VanDerWaalsContact O-CG 3.27Å; A145-L149 WeakPolarHBondContact O-CG 3.47Å; A145-L149 PolarHBondContact O-N 3.46Å
146S89.9Confident85.8Confident6 Ų639.1 Ų39.14%0.04222%0.215CC..Hα-helixtrans-54.4-53.2174.6160.50000112F142 Q143 L144 V148 L149 V150 T180F142-S146 WeakPolarHBondContact O-CB 3.11Å; F142-S146 PolarHBondContact O-N 3.46Å; Q143-S146 WeakPolarHBondContact O-CB 3.35Å; Q143-S146 PolarHBondContact O-N 3.28Å; L144-S146 VanDerWaalsContact C-N 3.35Å; L144-S146 PolarHBondContact O-N 2.94Å; S146-V148 VanDerWaalsContact C-N 3.33Å; S146-V148 PolarHBondContact O-N 2.95Å; S146-L149 PolarHBondContact O-N 3.19Å; S146-V150 WeakPolarHBondContact O-CG2 3.01Å; S146-V150 PolarHBondContact O-N 3.28Å; S146-T180 WeakPolarHBondContact OG-CG2 3.25Å
147F90Very high85.1Confident128 Ų12842.7 Ų42.756%0.56123%0.226SC*.Hα-helixtrans-60.1-43.3-177.6-176.4-111.7000112.2Q143 L144 V150 I151Q143-F147 WeakPolarHBondContact O-CB 3.47Å; Q143-F147 PolarHBondContact O-N 2.95Å; L144-F147 PolarHBondContact O-N 3.36Å; F147-V150 PolarHBondContact O-N 2.98Å; F147-I151 HydrophobicContact CD1-CD1 3.64Å; F147-I151 HydrophobicContact CE1-CD1 3.27Å; F147-I151 HydrophobicContact CE1-CG1 4.36Å; F147-I151 HydrophobicContact CE2-CD1 4.31Å; F147-I151 HydrophobicContact CG-CD1 4.33Å; F147-I151 HydrophobicContact CZ-CD1 3.65Å; F147-I151 HydrophobicContact CZ-CG1 4.39Å; F147-I151 WeakPolarHBondContact O-CG1 3.49Å; F147-I151 PolarHBondContact O-N 2.96Å
148V89.8Confident84.1Confident18 Ų1851.7 Ų51.711%0.10926%0.255CS..Hα-helixtrans-66.2-38.8178.61730000111.6C102 I105 L144 A145 S146 I151 G152C102-V148 HydrophobicContact CB-CG1 3.68Å; C102-V148 WeakPolarHBondContact CB-O 3.42Å; C102-V148 VanDerWaalsContact O-CG1 3.32Å; C102-V148 WeakPolarHBondContact O-CG1 3.39Å; C102-V148 PolarHBondContact SG-O 3.01Å; C102-V148 VanDerWaalsContact SG-O 3.4Å; I105-V148 HydrophobicContact CB-CG1 4Å; I105-V148 HydrophobicContact CG2-CB 4.42Å; I105-V148 HydrophobicContact CG2-CG1 3.98Å; I105-V148 HydrophobicContact CG2-CG2 3.96Å; L144-V148 HydrophobicContact CG-CG2 4.46Å; L144-V148 WeakPolarHBondContact O-CB 3.5Å; L144-V148 VanDerWaalsContact O-CG2 3.26Å; L144-V148 WeakPolarHBondContact O-CG2 3.44Å; L144-V148 PolarHBondContact O-N 3.17Å; A145-V148 PolarHBondContact O-N 2.98Å; S146-V148 VanDerWaalsContact C-N 3.33Å; S146-V148 PolarHBondContact O-N 2.95Å; V148-I151 PolarHBondContact O-N 3.44Å; V148-G152 PolarHBondContact O-N 3.38Å
149L86.9Confident82.8Confident0 Ų053.6 Ų53.60%027%0.265CS..Hα-helixtrans-65-40.2174.5-70.9175000112.3N21 A106 A145 S146 G152 L153 C176N21-L149 WeakPolarHBondContact OD1-CD2 3.42Å; A106-L149 HydrophobicContact CB-CD1 4.14Å; A106-L149 HydrophobicContact CB-CD2 3.49Å; A106-L149 VanDerWaalsContact CB-CD2 3.49Å; A106-L149 HydrophobicContact CB-CG 3.57Å; A145-L149 VanDerWaalsContact O-CG 3.27Å; A145-L149 WeakPolarHBondContact O-CG 3.47Å; A145-L149 PolarHBondContact O-N 3.46Å; S146-L149 PolarHBondContact O-N 3.19Å; L149-G152 PolarHBondContact O-N 3.42Å; L149-L153 WeakPolarHBondContact O-CB 3.2Å; L149-L153 PolarHBondContact O-N 2.97Å; L149-C176 HydrophobicContact CB-CB 4.19Å
150V88.2Confident81Confident60 Ų6054.7 Ų54.736%0.36428%0.276SS..Hα-helixtrans-61.7-47174.4174.40000110.5S146 F147 G152 L153 V154 C176S146-V150 WeakPolarHBondContact O-CG2 3.01Å; S146-V150 PolarHBondContact O-N 3.28Å; F147-V150 PolarHBondContact O-N 2.98Å; V150-G152 VanDerWaalsContact C-N 3.31Å; V150-G152 PolarHBondContact O-N 2.85Å; V150-L153 PolarHBondContact O-N 3.3Å; V150-L153 VanDerWaalsContact O-N 3.16Å; V150-V154 HydrophobicContact CG1-CG2 4.16Å; V150-V154 WeakPolarHBondContact O-CG2 3.39Å; V150-V154 PolarHBondContact O-N 3.41Å; V150-C176 WeakPolarHBondContact CG2-SG 3.45Å
151I86.9Confident78.7Confident56 Ų5657.5 Ų57.529%0.28729%0.289SS..Hα-helixtrans-57.7-47.5176.9-71.3169.3000110.3M98 F147 V148 L153 V154 T155M98-I151 HydrophobicContact CE-CG2 3.68Å; F147-I151 HydrophobicContact CD1-CD1 3.64Å; F147-I151 HydrophobicContact CE1-CD1 3.27Å; F147-I151 HydrophobicContact CE1-CG1 4.36Å; F147-I151 HydrophobicContact CE2-CD1 4.31Å; F147-I151 HydrophobicContact CG-CD1 4.33Å; F147-I151 HydrophobicContact CZ-CD1 3.65Å; F147-I151 HydrophobicContact CZ-CG1 4.39Å; F147-I151 WeakPolarHBondContact O-CG1 3.49Å; F147-I151 PolarHBondContact O-N 2.96Å; V148-I151 PolarHBondContact O-N 3.44Å; I151-L153 VanDerWaalsContact C-N 3.3Å; I151-L153 PolarHBondContact O-N 2.79Å; I151-V154 PolarHBondContact O-N 2.77Å; I151-T155 HydrophobicContact CG2-CG2 4.16Å; I151-T155 VanDerWaalsContact O-CB 3.3Å; I151-T155 WeakPolarHBondContact O-CB 3.18Å; I151-T155 WeakPolarHBondContact O-CG2 3.05Å; I151-T155 PolarHBondContact O-N 3.43Å; I151-T155 PolarHBondContact O-OG1 2.03Å
152G81.9Confident76.6Confident0 Ų065.9 Ų65.90%032%0.32CS..Hα-helixtrans-58.4-42.117700000112.5M99 V148 L149 V150 T155 F156M99-G152 WeakPolarHBondContact SD-CA 3.26Å; M99-G152 VanDerWaalsContact SD-O 3.32Å; V148-G152 PolarHBondContact O-N 3.38Å; L149-G152 PolarHBondContact O-N 3.42Å; V150-G152 VanDerWaalsContact C-N 3.31Å; V150-G152 PolarHBondContact O-N 2.85Å; G152-T155 WeakPolarHBondContact CA-OG1 3.49Å; G152-T155 PolarHBondContact O-OG1 3.43Å; G152-F156 VanDerWaalsContact O-CB 3.25Å; G152-F156 WeakPolarHBondContact O-CB 2.91Å; G152-F156 PolarHBondContact O-N 3.1Å
153L81.1Confident74.9Confident32 Ų3269 Ų6917%0.16834%0.338CS..Hα-helixtrans-66.9-47178.7-166.785.9000112.3L149 V150 I151 F156 Y157 I173L149-L153 WeakPolarHBondContact O-CB 3.2Å; L149-L153 PolarHBondContact O-N 2.97Å; V150-L153 PolarHBondContact O-N 3.3Å; V150-L153 VanDerWaalsContact O-N 3.16Å; I151-L153 VanDerWaalsContact C-N 3.3Å; I151-L153 PolarHBondContact O-N 2.79Å; L153-F156 PolarHBondContact O-N 2.74Å; L153-Y157 WeakPolarHBondContact O-CB 3.32Å; L153-Y157 PolarHBondContact O-N 3.11Å; L153-I173 HydrophobicContact CD1-CD1 4.38Å; L153-I173 HydrophobicContact CD1-CG1 3.66Å; L153-I173 HydrophobicContact CD2-CD1 4.39Å; L153-I173 HydrophobicContact CD2-CG1 3.74Å; L153-I173 HydrophobicContact CG-CG1 4.35Å
154V81.8Confident73.4Confident86 Ų8672 Ų7252%0.52135%0.352SS..Hα-helixtrans-65.6-41.3-178171.70000111.3V150 I151 F156 Y157 R158V150-V154 HydrophobicContact CG1-CG2 4.16Å; V150-V154 WeakPolarHBondContact O-CG2 3.39Å; V150-V154 PolarHBondContact O-N 3.41Å; I151-V154 PolarHBondContact O-N 2.77Å; V154-F156 VanDerWaalsContact C-N 3.31Å; V154-Y157 PolarHBondContact O-N 3.02Å; V154-R158 PolarHBondContact O-N 3.45Å
155T74.1Confident72Confident25 Ų2570.7 Ų70.715%0.15335%0.346CS..Hα-helixtrans-63.3-41.7176.452.80000110.2Q95 M98 I151 G152Q95-T155 PolarHBondContact OE1-O 3.29Å; M98-T155 HydrophobicContact CE-CG2 3.69Å; M98-T155 HydrophobicContact SD-CG2 3.65Å; I151-T155 HydrophobicContact CG2-CG2 4.16Å; I151-T155 VanDerWaalsContact O-CB 3.3Å; I151-T155 WeakPolarHBondContact O-CB 3.18Å; I151-T155 WeakPolarHBondContact O-CG2 3.05Å; I151-T155 PolarHBondContact O-N 3.43Å; I151-T155 PolarHBondContact O-OG1 2.03Å; G152-T155 WeakPolarHBondContact CA-OG1 3.49Å; G152-T155 PolarHBondContact O-OG1 3.43Å
156F71.5Confident71.1Confident17 Ų1770.9 Ų70.98%0.07535%0.347CS..Hα-helixtrans-67.7-40.4174.9-168.4-95.8000114.4W30 V31 F96 G152 L153 V154 R158 I159W30-F156 HydrophobicContact CB-CZ 4.23Å; W30-F156 HydrophobicContact CE3-CE1 4.24Å; W30-F156 HydrophobicContact CE3-CE2 4.32Å; W30-F156 HydrophobicContact CE3-CZ 4.05Å; V31-F156 HydrophobicContact CG2-CE1 4.33Å; V31-F156 HydrophobicContact CG2-CE2 4.27Å; V31-F156 HydrophobicContact CG2-CZ 3.49Å; V31-F156 VanDerWaalsContact CG2-CZ 3.49Å; F96-F156 HydrophobicContact CD1-CE2 4.39Å; F96-F156 HydrophobicContact CD2-CE2 4.47Å; F96-F156 AromaticContact CE1-CE2 3.93Å; F96-F156 HydrophobicContact CE1-CE2 3.93Å; F96-F156 HydrophobicContact CE2-CE2 4.02Å; F96-F156 AromaticContact CZ-CE2 3.74Å; F96-F156 HydrophobicContact CZ-CE2 3.74Å; F96-F156 HydrophobicContact CZ-CZ 4.26Å; G152-F156 VanDerWaalsContact O-CB 3.25Å; G152-F156 WeakPolarHBondContact O-CB 2.91Å; G152-F156 PolarHBondContact O-N 3.1Å; L153-F156 PolarHBondContact O-N 2.74Å; V154-F156 VanDerWaalsContact C-N 3.31Å; F156-R158 PolarHBondContact O-N 3.34Å; F156-I159 HydrophobicContact CB-CD1 4.41Å; F156-I159 HydrophobicContact CD2-CD1 3.57Å; F156-I159 HydrophobicContact CE2-CD1 4.04Å; F156-I159 HydrophobicContact CG-CD1 4.06Å; F156-I159 VanDerWaalsContact O-CB 3.27Å; F156-I159 WeakPolarHBondContact O-CB 3.33Å; F156-I159 WeakPolarHBondContact O-CD1 3.46Å; F156-I159 VanDerWaalsContact O-CG1 3.22Å; F156-I159 WeakPolarHBondContact O-CG1 3.32Å; F156-I159 PolarHBondContact O-N 3.32Å; F156-I159 VanDerWaalsContact O-N 3.09Å
157Y67.4Low70.5Confident160 Ų16078.1 Ų78.163%0.62737%0.374SS*.Hα-helixtrans-66.1-23-178.5-150.3-92.5000112.9L153 V154 I159 L165L153-Y157 WeakPolarHBondContact O-CB 3.32Å; L153-Y157 PolarHBondContact O-N 3.11Å; V154-Y157 PolarHBondContact O-N 3.02Å; Y157-I159 PolarHBondContact O-N 3.28Å; Y157-L165 HydrophobicContact CD2-CD1 4.11Å; Y157-L165 HydrophobicContact CE2-CD1 3.59Å
158R64.7Low69.9Low216 Ų21672 Ų7282%0.81535%0.348SS*.THydrogen-bonded Turntrans-72.2-7.9174.5-80-81.1-168.8112.8-1113.9V154 F156 G160V154-R158 PolarHBondContact O-N 3.45Å; F156-R158 PolarHBondContact O-N 3.34Å; R158-G160 VanDerWaalsContact C-N 3.31Å; R158-G160 PolarHBondContact O-N 3.25Å
159I57.9Low69.4Low43 Ų4371.2 Ų71.222%0.22134%0.343CS..THydrogen-bonded Turntrans-75.3-10.4-172.5-62.4169.3000114.2V92 Q95 F156 Y157V92-I159 HydrophobicContact CG1-CG2 4.26Å; V92-I159 HydrophobicContact CG2-CG2 4.25Å; Q95-I159 HydrophobicContact CB-CD1 3.31Å; Q95-I159 HydrophobicContact CB-CG1 3.65Å; Q95-I159 HydrophobicContact CG-CD1 4.06Å; Q95-I159 HydrophobicContact CG-CG1 3.78Å; F156-I159 HydrophobicContact CB-CD1 4.41Å; F156-I159 HydrophobicContact CD2-CD1 3.57Å; F156-I159 HydrophobicContact CE2-CD1 4.04Å; F156-I159 HydrophobicContact CG-CD1 4.06Å; F156-I159 VanDerWaalsContact O-CB 3.27Å; F156-I159 WeakPolarHBondContact O-CB 3.33Å; F156-I159 WeakPolarHBondContact O-CD1 3.46Å; F156-I159 VanDerWaalsContact O-CG1 3.22Å; F156-I159 WeakPolarHBondContact O-CG1 3.32Å; F156-I159 PolarHBondContact O-N 3.32Å; F156-I159 VanDerWaalsContact O-N 3.09Å; Y157-I159 PolarHBondContact O-N 3.28Å
160G48.4Very low69.3Low28 Ų2877.8 Ų77.829%0.28937%0.369SS..  trans130170.4150.500000118.7R158 Y162 T163R158-G160 VanDerWaalsContact C-N 3.31Å; R158-G160 PolarHBondContact O-N 3.25Å; G160-Y162 VanDerWaalsContact C-N 3.28Å; G160-Y162 PolarHBondContact O-N 2.89Å; G160-Y162 VanDerWaalsContact O-N 3.14Å; G160-T163 PolarHBondContact O-OG1 3.42Å
161P40.4Very low69.2Low120 Ų12075.6 Ų75.678%0.77936%0.355SS*.THydrogen-bonded Turntrans-75.40-160.429-35.7000116.2
162Y45.8Very low69.2Low216 Ų21673 Ų7385%0.84734%0.342SS*.THydrogen-bonded Turntrans-117.812.9-175.3-58.5-67000114G160G160-Y162 VanDerWaalsContact C-N 3.28Å; G160-Y162 PolarHBondContact O-N 2.89Å; G160-Y162 VanDerWaalsContact O-N 3.14Å
163T54.2Low69.4Low64 Ų6475.5 Ų75.539%0.39336%0.355SS..PPolyproline II helixtrans-103.9119.4177.3580000109.9V31 G160 L165V31-T163 HydrophobicContact CG1-CG2 3.86Å; G160-T163 PolarHBondContact O-OG1 3.42Å; T163-L165 PolarHBondContact O-N 3.4Å
164H59.6Low69.8Low152 Ų15275.8 Ų75.870%0.70436%0.362SS*.PPolyproline II helixtrans-73.1124.3171.9-74.7-85.2000109.2S166H164-S166 PolarHBondContact O-N 3.03Å; H164-S166 VanDerWaalsContact O-N 3.14Å; H164-S166 PolarHBondContact O-OG 2.68Å
165L62.4Low70.2Confident58 Ų5871.7 Ų71.730%0.30434%0.337SS..BIsolated β-bridgetrans-55.5119.3176.7-137.284.5000109.2Y157 T163 C169 Y170Y157-L165 HydrophobicContact CD2-CD1 4.11Å; Y157-L165 HydrophobicContact CE2-CD1 3.59Å; T163-L165 PolarHBondContact O-N 3.4Å; L165-C169 HydrophobicContact CD2-CB 4.31Å; L165-C169 HydrophobicContact CG-CB 4.02Å; L165-Y170 HydrophobicContact CB-CE2 4.08Å; L165-Y170 HydrophobicContact CD2-CD1 4.18Å; L165-Y170 HydrophobicContact CD2-CD2 4.31Å; L165-Y170 HydrophobicContact CD2-CE1 3.65Å; L165-Y170 HydrophobicContact CD2-CE2 3.8Å; L165-Y170 HydrophobicContact CD2-CG 4.48Å; L165-Y170 VanDerWaalsContact CD2-CZ 3.45Å; L165-Y170 HydrophobicContact CG-CE2 4.36Å
166S70.8Confident70.9Confident4 Ų471 Ų713%0.02833%0.333CS..PPolyproline II helixtrans-98.2163.5-176.6-59.20000110.9S29 W30 L32 H164 S168 C169S29-S166 WeakPolarHBondContact O-CB 3.48Å; W30-S166 WeakPolarHBondContact O-CB 3.46Å; L32-S166 WeakPolarHBondContact CD1-OG 3.3Å; L32-S166 PolarHBondContact N-OG 3.28Å; H164-S166 PolarHBondContact O-N 3.03Å; H164-S166 VanDerWaalsContact O-N 3.14Å; H164-S166 PolarHBondContact O-OG 2.68Å; S166-S168 PolarHBondContact O-N 3.18Å; S166-S168 VanDerWaalsContact O-N 3.12Å; S166-C169 WeakPolarHBondContact O-CB 3.46Å; S166-C169 PolarHBondContact O-N 3.11Å
167Y75.9Confident71.9Confident158 Ų15875.4 Ų75.462%0.6236%0.357SS*.Hα-helixtrans-49.9-40.3-173.7178.5-102.5000113.9C169 Y170 V171Y167-C169 VanDerWaalsContact C-N 3.26Å; Y167-C169 PolarHBondContact O-N 3.44Å; Y167-Y170 PolarHBondContact O-N 2.9Å; Y167-V171 HydrophobicContact CD1-CG2 3.94Å; Y167-V171 HydrophobicContact CE1-CG2 3.54Å; Y167-V171 HydrophobicContact CE2-CG2 4.25Å; Y167-V171 HydrophobicContact CG-CG2 4.46Å; Y167-V171 WeakPolarHBondContact O-CG2 3.11Å; Y167-V171 PolarHBondContact O-N 2.87Å; Y167-V171 VanDerWaalsContact O-N 3.09Å
168S78.4Confident73.1Confident0 Ų069.4 Ų69.40%034%0.335CS..Hα-helixtrans-64.4-29.8-177.9-56.20000113.3T27 S29 S166 V171 N172T27-S168 WeakPolarHBondContact CB-OG 3.21Å; T27-S168 WeakPolarHBondContact CG2-OG 3.26Å; S29-S168 VanDerWaalsContact C-OG 3.28Å; S29-S168 WeakPolarHBondContact O-CB 3.25Å; S29-S168 PolarHBondContact O-N 2.88Å; S29-S168 VanDerWaalsContact O-N 3.11Å; S29-S168 PolarHBondContact O-OG 3.33Å; S29-S168 VanDerWaalsContact O-OG 3.05Å; S29-S168 PolarHBondContact OG-OG 3.14Å; S166-S168 PolarHBondContact O-N 3.18Å; S166-S168 VanDerWaalsContact O-N 3.12Å; S168-V171 PolarHBondContact O-N 2.92Å; S168-N172 WeakPolarHBondContact O-CB 3.46Å; S168-N172 PolarHBondContact O-N 3.35Å
169C79.4Confident74.3Confident1 Ų159.1 Ų59.11%0.00730%0.297CS..Hα-helixtrans-67.5-43.7176.1-171.70000111L165 S166 Y167 V171 N172 I173L165-C169 HydrophobicContact CD2-CB 4.31Å; L165-C169 HydrophobicContact CG-CB 4.02Å; S166-C169 WeakPolarHBondContact O-CB 3.46Å; S166-C169 PolarHBondContact O-N 3.11Å; Y167-C169 VanDerWaalsContact C-N 3.26Å; Y167-C169 PolarHBondContact O-N 3.44Å; C169-V171 VanDerWaalsContact C-N 3.34Å; C169-V171 PolarHBondContact O-N 3.31Å; C169-N172 WeakPolarHBondContact O-CB 3.45Å; C169-N172 PolarHBondContact O-N 2.96Å; C169-I173 WeakPolarHBondContact O-CG1 3.38Å; C169-I173 PolarHBondContact O-N 3.38Å
170Y84.2Confident75.9Confident138 Ų13859.4 Ų59.454%0.54130%0.3SS..Hα-helixtrans-63-40.3175.3-68.4-71.7000112.3L165 Y167 N172 I173 A174L165-Y170 HydrophobicContact CB-CE2 4.08Å; L165-Y170 HydrophobicContact CD2-CD1 4.18Å; L165-Y170 HydrophobicContact CD2-CD2 4.31Å; L165-Y170 HydrophobicContact CD2-CE1 3.65Å; L165-Y170 HydrophobicContact CD2-CE2 3.8Å; L165-Y170 HydrophobicContact CD2-CG 4.48Å; L165-Y170 VanDerWaalsContact CD2-CZ 3.45Å; L165-Y170 HydrophobicContact CG-CE2 4.36Å; Y167-Y170 PolarHBondContact O-N 2.9Å; Y170-N172 VanDerWaalsContact C-N 3.31Å; Y170-N172 PolarHBondContact O-N 3.4Å; Y170-I173 PolarHBondContact O-N 3.16Å; Y170-A174 PolarHBondContact O-N 2.98Å
171V85.9Confident78Confident14 Ų1461.9 Ų61.99%0.08531%0.306CS..Hα-helixtrans-62.3-40.1174.6178.20000111L20 V23 A24 Y167 S168 C169 A174 A175L20-V171 HydrophobicContact CB-CG1 4.05Å; L20-V171 HydrophobicContact CD2-CG1 3.99Å; L20-V171 WeakPolarHBondContact O-CG1 3.35Å; V23-V171 HydrophobicContact CG1-CG1 4.46Å; A24-V171 HydrophobicContact CB-CB 4.24Å; A24-V171 HydrophobicContact CB-CG1 4.01Å; Y167-V171 HydrophobicContact CD1-CG2 3.94Å; Y167-V171 HydrophobicContact CE1-CG2 3.54Å; Y167-V171 HydrophobicContact CE2-CG2 4.25Å; Y167-V171 HydrophobicContact CG-CG2 4.46Å; Y167-V171 WeakPolarHBondContact O-CG2 3.11Å; Y167-V171 PolarHBondContact O-N 2.87Å; Y167-V171 VanDerWaalsContact O-N 3.09Å; S168-V171 PolarHBondContact O-N 2.92Å; C169-V171 VanDerWaalsContact C-N 3.34Å; C169-V171 PolarHBondContact O-N 3.31Å; V171-A174 PolarHBondContact O-N 2.97Å; V171-A175 WeakPolarHBondContact O-CB 3.39Å; V171-A175 PolarHBondContact O-N 2.88Å
172N87Confident80.3Confident0 Ų056.2 Ų56.20%027%0.269CS..Hα-helixtrans-67.3-37176.6-168.872.9000112.7A24 W30 M99 S168 C169 Y170 A175 C176A24-N172 HydrophobicContact CB-CB 4.06Å; W30-N172 HydrophobicContact CH2-CB 3.74Å; W30-N172 HydrophobicContact CZ2-CB 4.48Å; W30-N172 HydrophobicContact CZ3-CB 4.39Å; M99-N172 VanDerWaalsContact CE-ND2 3.25Å; M99-N172 WeakPolarHBondContact CE-ND2 3.37Å; S168-N172 WeakPolarHBondContact O-CB 3.46Å; S168-N172 PolarHBondContact O-N 3.35Å; C169-N172 WeakPolarHBondContact O-CB 3.45Å; C169-N172 PolarHBondContact O-N 2.96Å; Y170-N172 VanDerWaalsContact C-N 3.31Å; Y170-N172 PolarHBondContact O-N 3.4Å; N172-A175 PolarHBondContact O-N 2.87Å; N172-C176 WeakPolarHBondContact O-CB 3.31Å; N172-C176 PolarHBondContact O-N 3.4Å
173I87.1Confident82.4Confident53 Ų5345.9 Ų45.927%0.27223%0.228SC..Hα-helixtrans-61.5-47.2172.4-67.1166.3000110L153 C169 Y170 A175 C176 L177L153-I173 HydrophobicContact CD1-CD1 4.38Å; L153-I173 HydrophobicContact CD1-CG1 3.66Å; L153-I173 HydrophobicContact CD2-CD1 4.39Å; L153-I173 HydrophobicContact CD2-CG1 3.74Å; L153-I173 HydrophobicContact CG-CG1 4.35Å; C169-I173 WeakPolarHBondContact O-CG1 3.38Å; C169-I173 PolarHBondContact O-N 3.38Å; Y170-I173 PolarHBondContact O-N 3.16Å; I173-A175 VanDerWaalsContact C-N 3.33Å; I173-A175 PolarHBondContact O-N 2.82Å; I173-C176 WeakPolarHBondContact O-CB 3.47Å; I173-C176 PolarHBondContact O-N 2.96Å; I173-L177 HydrophobicContact CG2-CD1 4.16Å; I173-L177 HydrophobicContact CG2-CG 4.46Å; I173-L177 WeakPolarHBondContact O-CG 3.44Å; I173-L177 PolarHBondContact O-N 2.91Å
174A89.2Confident84.1Confident39 Ų3945.6 Ų45.632%0.32223%0.232SC..Hα-helixtrans-60.2-43.3176.600000111.8Y170 V171 C176 L177 L178Y170-A174 PolarHBondContact O-N 2.98Å; V171-A174 PolarHBondContact O-N 2.97Å; A174-C176 VanDerWaalsContact C-N 3.31Å; A174-C176 PolarHBondContact O-N 3.42Å; A174-L177 PolarHBondContact O-N 2.89Å; A174-L178 VanDerWaalsContact O-CG 3.3Å; A174-L178 WeakPolarHBondContact O-CG 3.26Å; A174-L178 PolarHBondContact O-N 3.36Å
175A89.9Confident85.5Confident0 Ų040.9 Ų40.90%021%0.211CC..Hα-helixtrans-58.3-44.2175.100000111.6S17 L20 N21 V171 N172 I173 L178 A179S17-A175 WeakPolarHBondContact CB-O 3.24Å; S17-A175 PolarHBondContact OG-O 3.5Å; L20-A175 HydrophobicContact CB-CB 3.79Å; N21-A175 HydrophobicContact CB-CB 4.2Å; V171-A175 WeakPolarHBondContact O-CB 3.39Å; V171-A175 PolarHBondContact O-N 2.88Å; N172-A175 PolarHBondContact O-N 2.87Å; I173-A175 VanDerWaalsContact C-N 3.33Å; I173-A175 PolarHBondContact O-N 2.82Å; A175-L178 PolarHBondContact O-N 3.1Å; A175-A179 PolarHBondContact O-N 2.73Å
176C89.5Confident86.6Confident11 Ų1138.4 Ų38.47%0.07420%0.198CC..Hα-helixtrans-62.3-46.9177.3-179.80000112.2L149 V150 N172 I173 A174 L178 A179 T180L149-C176 HydrophobicContact CB-CB 4.19Å; V150-C176 WeakPolarHBondContact CG2-SG 3.45Å; N172-C176 WeakPolarHBondContact O-CB 3.31Å; N172-C176 PolarHBondContact O-N 3.4Å; I173-C176 WeakPolarHBondContact O-CB 3.47Å; I173-C176 PolarHBondContact O-N 2.96Å; A174-C176 VanDerWaalsContact C-N 3.31Å; A174-C176 PolarHBondContact O-N 3.42Å; C176-L178 VanDerWaalsContact C-N 3.29Å; C176-L178 PolarHBondContact O-N 3.47Å; C176-A179 PolarHBondContact O-N 3.4Å; C176-A179 VanDerWaalsContact O-N 3.16Å; C176-T180 WeakPolarHBondContact O-CG2 3.37Å; C176-T180 PolarHBondContact O-N 2.85Å; C176-T180 PolarHBondContact O-OG1 2.99Å
177L92.1Very high87.4Confident108 Ų10842 Ų4257%0.56522%0.216SC*.Hα-helixtrans-62.7-34.7177.6-69175.2000112.8I173 A174 T180 M181I173-L177 HydrophobicContact CG2-CD1 4.16Å; I173-L177 HydrophobicContact CG2-CG 4.46Å; I173-L177 WeakPolarHBondContact O-CG 3.44Å; I173-L177 PolarHBondContact O-N 2.91Å; A174-L177 PolarHBondContact O-N 2.89Å; L177-T180 WeakPolarHBondContact CA-OG1 3.43Å; L177-T180 PolarHBondContact O-OG1 2.87Å; L177-M181 VanDerWaalsContact O-CB 3.26Å; L177-M181 WeakPolarHBondContact O-CB 3.35Å; L177-M181 PolarHBondContact O-N 2.87Å
178L91.7Very high88Confident34 Ų3442.4 Ų42.418%0.17822%0.217CC..Hα-helixtrans-71.9-38.6175-68.1166.9000111.3V13 L16 L20 A174 A175 C176 M181 A182V13-L178 HydrophobicContact CG1-CB 4.06Å; V13-L178 HydrophobicContact CG1-CD2 4Å; V13-L178 VanDerWaalsContact CG1-O 3.26Å; V13-L178 WeakPolarHBondContact CG1-O 3.47Å; L16-L178 HydrophobicContact CB-CD1 4.45Å; L16-L178 HydrophobicContact CD2-CD1 3.74Å; L16-L178 HydrophobicContact CD2-CD2 4.41Å; L16-L178 HydrophobicContact CG-CD1 3.87Å; L20-L178 HydrophobicContact CD1-CD1 3.41Å; L20-L178 VanDerWaalsContact CD1-CD1 3.41Å; A174-L178 VanDerWaalsContact O-CG 3.3Å; A174-L178 WeakPolarHBondContact O-CG 3.26Å; A174-L178 PolarHBondContact O-N 3.36Å; A175-L178 PolarHBondContact O-N 3.1Å; C176-L178 VanDerWaalsContact C-N 3.29Å; C176-L178 PolarHBondContact O-N 3.47Å; L178-M181 HydrophobicContact CD2-CE 3.81Å; L178-M181 PolarHBondContact O-N 2.69Å; L178-A182 WeakPolarHBondContact O-CB 3.3Å; L178-A182 PolarHBondContact O-N 3.45Å
179A90.5Very high88.3Confident0 Ų043 Ų430%022%0.22CC..Hα-helixtrans-63.4-45.217500000111.9S17 A175 C176 M181 A182 A183S17-A179 WeakPolarHBondContact OG-CB 3.37Å; A175-A179 PolarHBondContact O-N 2.73Å; C176-A179 PolarHBondContact O-N 3.4Å; C176-A179 VanDerWaalsContact O-N 3.16Å; A179-M181 VanDerWaalsContact C-N 3.32Å; A179-M181 PolarHBondContact O-N 2.82Å; A179-A182 PolarHBondContact O-N 3.44Å; A179-A183 WeakPolarHBondContact O-CB 3.46Å; A179-A183 PolarHBondContact O-N 2.89Å
180T91Very high88.4Confident49 Ų4944.4 Ų44.430%0.30123%0.227SC..Hα-helixtrans-60.7-43.7175.854.90000111S146 C176 L177 A183 A184S146-T180 WeakPolarHBondContact OG-CG2 3.25Å; C176-T180 WeakPolarHBondContact O-CG2 3.37Å; C176-T180 PolarHBondContact O-N 2.85Å; C176-T180 PolarHBondContact O-OG1 2.99Å; L177-T180 WeakPolarHBondContact CA-OG1 3.43Å; L177-T180 PolarHBondContact O-OG1 2.87Å; T180-A183 PolarHBondContact O-N 2.87Å; T180-A184 VanDerWaalsContact O-CB 3.31Å; T180-A184 WeakPolarHBondContact O-CB 3.13Å; T180-A184 PolarHBondContact O-N 2.84Å
181M92.2Very high88.2Confident81 Ų8142.2 Ų42.240%0.39922%0.224SC..Hα-helixtrans-64.8-43.6180-169.1179.160.500111.4V13 L177 L178 A179 A184 M185V13-M181 HydrophobicContact CB-CE 4.43Å; V13-M181 HydrophobicContact CG1-CE 3.49Å; V13-M181 VanDerWaalsContact CG1-CE 3.49Å; V13-M181 HydrophobicContact CG2-CE 4Å; L177-M181 VanDerWaalsContact O-CB 3.26Å; L177-M181 WeakPolarHBondContact O-CB 3.35Å; L177-M181 PolarHBondContact O-N 2.87Å; L178-M181 HydrophobicContact CD2-CE 3.81Å; L178-M181 PolarHBondContact O-N 2.69Å; A179-M181 VanDerWaalsContact C-N 3.32Å; A179-M181 PolarHBondContact O-N 2.82Å; M181-A184 PolarHBondContact O-N 2.97Å; M181-M185 HydrophobicContact CE-CE 3.81Å; M181-M185 HydrophobicContact CG-CE 3.52Å; M181-M185 VanDerWaalsContact O-CG 3.3Å; M181-M185 WeakPolarHBondContact O-CG 3.36Å; M181-M185 PolarHBondContact O-N 3.33Å; M181-M185 HydrophobicContact SD-CE 3.79Å
182A90.1Very high87.8Confident0 Ų046.3 Ų46.30%024%0.242CC..Hα-helixtrans-61-44.9175.300000112.1A10 V13 A14 F142 L178 A179 M185 L186A10-A182 WeakPolarHBondContact O-CB 3.39Å; V13-A182 HydrophobicContact CB-CB 4.26Å; V13-A182 HydrophobicContact CG1-CB 4Å; A14-A182 HydrophobicContact CB-CB 3.84Å; F142-A182 HydrophobicContact CD2-CB 4.2Å; L178-A182 WeakPolarHBondContact O-CB 3.3Å; L178-A182 PolarHBondContact O-N 3.45Å; A179-A182 PolarHBondContact O-N 3.44Å; A182-M185 PolarHBondContact O-N 3.39Å; A182-L186 PolarHBondContact O-N 3.05Å
183A89.9Confident86.9Confident0 Ų050.5 Ų50.50%026%0.258CS..Hα-helixtrans-62.2-45.617600000111.6F142 Q143 A179 T180 M185 L186 I187F142-A183 HydrophobicContact CB-CB 4.03Å; Q143-A183 HydrophobicContact CB-CB 4.18Å; A179-A183 WeakPolarHBondContact O-CB 3.46Å; A179-A183 PolarHBondContact O-N 2.89Å; T180-A183 PolarHBondContact O-N 2.87Å; A183-M185 PolarHBondContact O-N 3.32Å; A183-L186 PolarHBondContact O-N 3.27Å; A183-I187 WeakPolarHBondContact O-CB 3.27Å; A183-I187 VanDerWaalsContact O-CG1 3.26Å; A183-I187 WeakPolarHBondContact O-CG1 3.43Å; A183-I187 PolarHBondContact O-N 2.69Å
184A90Very high86.1Confident57 Ų5755.2 Ų55.247%0.47127%0.272SS..Hα-helixtrans-61.7-41.217800000112.3T180 M181 L186 I187 W188T180-A184 VanDerWaalsContact O-CB 3.31Å; T180-A184 WeakPolarHBondContact O-CB 3.13Å; T180-A184 PolarHBondContact O-N 2.84Å; M181-A184 PolarHBondContact O-N 2.97Å; A184-L186 VanDerWaalsContact C-N 3.34Å; A184-L186 PolarHBondContact O-N 2.86Å; A184-I187 PolarHBondContact O-N 3.2Å; A184-W188 WeakPolarHBondContact O-CB 3.19Å; A184-W188 PolarHBondContact O-N 2.94Å
185M88.4Confident84.9Confident53 Ų5357.1 Ų57.126%0.26128%0.277SS..Hα-helixtrans-60-43175.3-74.2-171.7-148.200112L6 A10 V13 M181 A182 A183 N189L6-M185 HydrophobicContact CD2-CB 3.97Å; A10-M185 HydrophobicContact CB-CB 3.89Å; A10-M185 HydrophobicContact CB-SD 4.26Å; V13-M185 HydrophobicContact CG2-CE 4.2Å; M181-M185 HydrophobicContact CE-CE 3.81Å; M181-M185 HydrophobicContact CG-CE 3.52Å; M181-M185 VanDerWaalsContact O-CG 3.3Å; M181-M185 WeakPolarHBondContact O-CG 3.36Å; M181-M185 PolarHBondContact O-N 3.33Å; M181-M185 HydrophobicContact SD-CE 3.79Å; A182-M185 PolarHBondContact O-N 3.39Å; A183-M185 PolarHBondContact O-N 3.32Å; M185-N189 WeakPolarHBondContact O-CB 3.1Å; M185-N189 PolarHBondContact O-N 3.34Å
186L86.3Confident83.4Confident6 Ų662 Ų623%0.03130%0.303CS..Hα-helixtrans-70.7-44.7179-68.6179.7000112.2V7 A10 I138 A139 F142 A182 A183 A184 W188 N189 I190V7-L186 HydrophobicContact CB-CD2 4.33Å; V7-L186 HydrophobicContact CG1-CD2 4.05Å; V7-L186 HydrophobicContact CG2-CD2 4.18Å; A10-L186 HydrophobicContact CB-CD2 3.79Å; A10-L186 HydrophobicContact CB-CG 3.85Å; I138-L186 HydrophobicContact CB-CD1 4.32Å; I138-L186 HydrophobicContact CG2-CD1 3.54Å; A139-L186 HydrophobicContact CB-CB 3.95Å; A139-L186 HydrophobicContact CB-CD1 4.44Å; F142-L186 HydrophobicContact CD2-CD1 3.53Å; F142-L186 HydrophobicContact CE2-CD1 3.72Å; A182-L186 PolarHBondContact O-N 3.05Å; A183-L186 PolarHBondContact O-N 3.27Å; A184-L186 VanDerWaalsContact C-N 3.34Å; A184-L186 PolarHBondContact O-N 2.86Å; L186-W188 VanDerWaalsContact C-N 3.3Å; L186-W188 PolarHBondContact O-N 3.22Å; L186-N189 WeakPolarHBondContact O-CB 3.44Å; L186-N189 PolarHBondContact O-N 3.4Å; L186-I190 VanDerWaalsContact O-CG1 3.3Å; L186-I190 WeakPolarHBondContact O-CG1 3.42Å; L186-I190 PolarHBondContact O-N 3.38Å
187I86.6Confident82.1Confident80 Ų8064.9 Ų64.941%0.4132%0.323SS..Hα-helixtrans-60.5-44176.5-66.8165.6000110.1A139 A183 A184 N189 I190 L191A139-I187 HydrophobicContact CB-CG1 4.26Å; A183-I187 WeakPolarHBondContact O-CB 3.27Å; A183-I187 VanDerWaalsContact O-CG1 3.26Å; A183-I187 WeakPolarHBondContact O-CG1 3.43Å; A183-I187 PolarHBondContact O-N 2.69Å; A184-I187 PolarHBondContact O-N 3.2Å; I187-N189 VanDerWaalsContact C-N 3.33Å; I187-N189 PolarHBondContact O-N 2.83Å; I187-I190 PolarHBondContact O-N 3.26Å; I187-L191 WeakPolarHBondContact O-CB 2.86Å; I187-L191 PolarHBondContact O-N 3.41Å
188W87.4Confident80.3Confident166 Ų16665.6 Ų65.663%0.62933%0.326SS*.Hα-helixtrans-58.8-45.3175.2-178.4-88.8000111.6A184 L186 I190 L191 H192A184-W188 WeakPolarHBondContact O-CB 3.19Å; A184-W188 PolarHBondContact O-N 2.94Å; L186-W188 VanDerWaalsContact C-N 3.3Å; L186-W188 PolarHBondContact O-N 3.22Å; W188-I190 PolarHBondContact O-N 3.34Å; W188-L191 PolarHBondContact O-N 3.09Å; W188-H192 VanDerWaalsContact O-CB 3.31Å; W188-H192 WeakPolarHBondContact O-CB 3.28Å; W188-H192 PolarHBondContact O-N 3.23Å
189N84.8Confident77.9Confident12 Ų1266.4 Ų66.46%0.06434%0.338CS..Hα-helixtrans-61.3-43.2178-173.970000112.3L6 M185 L186 I187 R193L6-N189 HydrophobicContact CD2-CB 4.27Å; M185-N189 WeakPolarHBondContact O-CB 3.1Å; M185-N189 PolarHBondContact O-N 3.34Å; L186-N189 WeakPolarHBondContact O-CB 3.44Å; L186-N189 PolarHBondContact O-N 3.4Å; I187-N189 VanDerWaalsContact C-N 3.33Å; I187-N189 PolarHBondContact O-N 2.83Å; N189-R193 VanDerWaalsContact O-CB 3.24Å; N189-R193 WeakPolarHBondContact O-CB 3.38Å; N189-R193 PolarHBondContact O-N 2.98Å
190I81.5Confident75.6Confident32 Ų3271.6 Ų71.616%0.16437%0.372CS..Hα-helixtrans-64.8-45.6177.2-65.8161.5000110.5E136 A139 L186 I187 W188 R193 R194E136-I190 HydrophobicContact CG-CD1 4.22Å; A139-I190 HydrophobicContact CB-CD1 3.87Å; L186-I190 VanDerWaalsContact O-CG1 3.3Å; L186-I190 WeakPolarHBondContact O-CG1 3.42Å; L186-I190 PolarHBondContact O-N 3.38Å; I187-I190 PolarHBondContact O-N 3.26Å; W188-I190 PolarHBondContact O-N 3.34Å; I190-R193 PolarHBondContact O-N 3.41Å; I190-R194 WeakPolarHBondContact O-CB 3.36Å; I190-R194 PolarHBondContact O-N 3.17Å
191L80.4Confident73.4Confident92 Ų9279.8 Ų79.848%0.48240%0.397SS..Hα-helixtrans-64.4-48.5-179-170.970000111.2I187 W188 R193 R194 D195I187-L191 WeakPolarHBondContact O-CB 2.86Å; I187-L191 PolarHBondContact O-N 3.41Å; W188-L191 PolarHBondContact O-N 3.09Å; L191-R193 VanDerWaalsContact C-N 3.31Å; L191-R193 PolarHBondContact O-N 2.75Å; L191-R194 WeakPolarHBondContact O-CB 3.22Å; L191-R194 PolarHBondContact O-N 3.11Å; L191-D195 PolarHBondContact O-N 2.82Å
192H77.3Confident71.2Confident100 Ų10082.4 Ų82.446%0.46341%0.412SS..Hα-helixtrans-64.2-38.3-179.2-157.256.3000111.9W188 R194 D195 D196W188-H192 VanDerWaalsContact O-CB 3.31Å; W188-H192 WeakPolarHBondContact O-CB 3.28Å; W188-H192 PolarHBondContact O-N 3.23Å; H192-R194 VanDerWaalsContact C-N 3.32Å; H192-R194 PolarHBondContact O-N 2.88Å; H192-D195 PolarHBondContact O-N 3.36Å; H192-D196 PolarHBondContact O-N 3.23Å
193R69.7Low69.2Low87 Ų8788.4 Ų88.433%0.32844%0.443SS..Hα-helixtrans-65-36.2173.6-168.1176.3-174.8-172.7-3.8112E135 N189 I190 L191 D196 C197 C226E135-R193 IonicContact OE1-NH1 2.69Å; E135-R193 IonicContact OE2-NH1 3.75Å; N189-R193 VanDerWaalsContact O-CB 3.24Å; N189-R193 WeakPolarHBondContact O-CB 3.38Å; N189-R193 PolarHBondContact O-N 2.98Å; I190-R193 PolarHBondContact O-N 3.41Å; L191-R193 VanDerWaalsContact C-N 3.31Å; L191-R193 PolarHBondContact O-N 2.75Å; R193-D196 PolarHBondContact O-N 2.98Å; R193-C197 PolarHBondContact O-N 3.09Å; R193-C197 PolarHBondContact O-SG 2.83Å; R193-C226 PolarHBondContact NH2-OXT 3.09Å
194R68.8Low67Low152 Ų15294.3 Ų94.357%0.57447%0.473SS*.Hα-helixtrans-68.8-38.4175.6-165.5177.4-170.8147.53.1111.9I190 L191 H192 C197 L198I190-R194 WeakPolarHBondContact O-CB 3.36Å; I190-R194 PolarHBondContact O-N 3.17Å; L191-R194 WeakPolarHBondContact O-CB 3.22Å; L191-R194 PolarHBondContact O-N 3.11Å; H192-R194 VanDerWaalsContact C-N 3.32Å; H192-R194 PolarHBondContact O-N 2.88Å; R194-C197 PolarHBondContact O-N 3.34Å; R194-L198 HydrophobicContact CG-CD1 4.04Å; R194-L198 WeakPolarHBondContact O-CB 3.22Å; R194-L198 WeakPolarHBondContact O-CG 3.19Å; R194-L198 PolarHBondContact O-N 3.32Å
195D64.2Low64.8Low80 Ų80100.4 Ų100.443%0.42849%0.489SS..Hα-helixtrans-65-39.3175.3-67.2-29000111.5L191 H192 C197 L198 A199L191-D195 PolarHBondContact O-N 2.82Å; H192-D195 PolarHBondContact O-N 3.36Å; D195-C197 VanDerWaalsContact C-N 3.25Å; D195-C197 PolarHBondContact O-N 3.09Å; D195-L198 PolarHBondContact O-N 2.89Å; D195-A199 PolarHBondContact O-N 3.08Å
196D59.9Low62.6Low103 Ų103102.5 Ų102.555%0.55151%0.509SS*.Hα-helixtrans-62.4-31.8173.2-75.3-30.5000112.6H192 R193H192-D196 PolarHBondContact O-N 3.23Å; R193-D196 PolarHBondContact O-N 2.98Å
197C60.3Low60.7Low71 Ų71107.5 Ų107.548%0.4854%0.542SS..Hα-helixtrans-81.8-27.4175.7-66.40000113.6R193 R194 D195 C226R193-C197 PolarHBondContact O-N 3.09Å; R193-C197 PolarHBondContact O-SG 2.83Å; R194-C197 PolarHBondContact O-N 3.34Å; D195-C197 VanDerWaalsContact C-N 3.25Å; D195-C197 PolarHBondContact O-N 3.09Å; C197-C226 VanDerWaalsContact SG-SG 3.63Å
198L54.3Low58.6Low122 Ų122109.6 Ų109.664%0.63956%0.56SS**Hα-helixtrans-88.6-16.2177.8-72.9171.4000113R194 D195 P200R194-L198 HydrophobicContact CG-CD1 4.04Å; R194-L198 WeakPolarHBondContact O-CB 3.22Å; R194-L198 WeakPolarHBondContact O-CG 3.19Å; R194-L198 PolarHBondContact O-N 3.32Å; D195-L198 PolarHBondContact O-N 2.89Å; L198-P200 WeakPolarHBondContact O-CD 3.19Å; L198-P200 VanDerWaalsContact O-N 3.15Å
199A42.3Very low56.8Low51 Ų51110 Ų11042%0.42157%0.574SS.*SBendtrans-59.5116.2170.100000108.5D195 R201D195-A199 PolarHBondContact O-N 3.08Å; A199-R201 PolarHBondContact O-N 3.36Å
200P42.9Very low54.6Low109 Ų109113.6 Ų113.671%0.70861%0.606SS**  trans-67.797.3-176.126.6-31.6000108.4L198 L202L198-P200 WeakPolarHBondContact O-CD 3.19Å; L198-P200 VanDerWaalsContact O-N 3.15Å; P200-L202 HydrophobicContact CB-CD1 4.43Å; P200-L202 PolarHBondContact O-N 3.14Å
201R45.1Very low52.4Low222 Ų222117.8 Ų117.884%0.83864%0.638SS**  trans-76.673.4157.9-65.6-167.3-177.2-162.62.5106.9A199 I203A199-R201 PolarHBondContact O-N 3.36Å; R201-I203 PolarHBondContact O-N 2.69Å
202L45.2Very low50.5Low135 Ų135117.6 Ų117.671%0.70765%0.649SS**  trans-57.784.8160.7-90.4153000107.4P200 I204P200-L202 HydrophobicContact CB-CD1 4.43Å; P200-L202 PolarHBondContact O-N 3.14Å; L202-I204 HydrophobicContact CB-CG1 4.34Å; L202-I204 HydrophobicContact CD2-CD1 4.3Å; L202-I204 HydrophobicContact CD2-CG1 4Å; L202-I204 PolarHBondContact O-N 3.38Å
203I47.5Very low49Very low126 Ų126122.1 Ų122.165%0.64667%0.668SS**  trans-77.582159.9-55.6177000105.1R201 F205R201-I203 PolarHBondContact O-N 2.69Å; I203-F205 HydrophobicContact CG2-CD2 3.86Å; I203-F205 HydrophobicContact CG2-CE2 3.63Å; I203-F205 HydrophobicContact CG2-CZ 4.1Å; I203-F205 PolarHBondContact O-N 3.22Å; I203-F205 VanDerWaalsContact O-N 3.17Å
204I43Very low47.4Very low124 Ų124126.6 Ų126.664%0.63669%0.692SS**  trans-70.6103.1162.9-61.4168.5000105.2L202 S206L202-I204 HydrophobicContact CB-CG1 4.34Å; L202-I204 HydrophobicContact CD2-CD1 4.3Å; L202-I204 HydrophobicContact CD2-CG1 4Å; L202-I204 PolarHBondContact O-N 3.38Å; I204-S206 PolarHBondContact O-N 3.38Å; I204-S206 VanDerWaalsContact O-N 3.1Å
205F44.4Very low46.1Very low186 Ų186125.3 Ų125.382%0.81670%0.704SS**  trans-69.1101.5158.8-78.5-81.1000107.3I203I203-F205 HydrophobicContact CG2-CD2 3.86Å; I203-F205 HydrophobicContact CG2-CE2 3.63Å; I203-F205 HydrophobicContact CG2-CZ 4.1Å; I203-F205 PolarHBondContact O-N 3.22Å; I203-F205 VanDerWaalsContact O-N 3.17Å
206S43.4Very low45Very low97 Ų97131.2 Ų131.268%0.67872%0.72SS**PPolyproline II helixtrans-61.3125.2164.2-58.50000108.1I204 P208I204-S206 PolarHBondContact O-N 3.38Å; I204-S206 VanDerWaalsContact O-N 3.1Å; S206-P208 WeakPolarHBondContact O-CD 2.86Å
207P46.5Very low44.3Very low111 Ų111133.7 Ų133.772%0.72173%0.733SS**PPolyproline II helixtrans-69.5128.9-179.626.1-30.8000109.7L209P207-L209 PolarHBondContact O-N 2.81Å
208P41.6Very low43.3Very low123 Ų123135.5 Ų135.580%0.79974%0.737SS**PPolyproline II helixtrans-74118.2158.929-27.1000107.7S206 A210S206-P208 WeakPolarHBondContact O-CD 2.86Å; P208-A210 PolarHBondContact O-N 3.29Å
209L48.7Very low42.8Very low174 Ų174135.4 Ų135.491%0.91174%0.738SS**  trans-56.1106.8166.9-80.4103.2000109.6P207P207-L209 PolarHBondContact O-N 2.81Å
210A39.2Very low42.8Very low89 Ų89141.3 Ų141.374%0.73676%0.756SS**  trans179.4127140.100000113.3P208P208-A210 PolarHBondContact O-N 3.29Å
211S34.8Very low42.7Very low119 Ų119145.5 Ų145.583%0.83276%0.759SS**  trans86.7111.5150.174.50000121.3
212A40.5Very low42.5Very low88 Ų88140.5 Ų140.573%0.72775%0.753SS**  trans61.8106.7134.900000121.6
213F45.5Very low42.3Very low195 Ų195142.5 Ų142.586%0.85576%0.759SS**  trans51.394.7139.6-82.4-89.2000118.7
214H36.4Very low41.8Very low181 Ų181140.4 Ų140.484%0.83876%0.755SS**  -176.9129.8125.5-93.8-53.8000110.4R216H214-R216 PolarHBondContact O-N 3.1Å
215P42.8Very low41.7Very low125 Ų125140.8 Ų140.881%0.81277%0.766SS**  trans-84.993.2171.432.5-26.8000108.5
216R39.6Very low41.6Very low204 Ų204136.9 Ų136.977%0.7776%0.761SS**  trans-115.597165.8-159.5171.9178.4151.73107.3H214 D218H214-R216 PolarHBondContact O-N 3.1Å; R216-D218 WeakPolarHBondContact CG-OD2 3.37Å; R216-D218 IonicContact CZ-OD2 3.69Å; R216-D218 IonicContact NE-OD2 2.81Å; R216-D218 PolarHBondContact NE-OD2 3.36Å; R216-D218 IonicContact NH2-OD2 3.75Å; R216-D218 PolarHBondContact O-N 3.24Å
217L46Very low41.5Very low156 Ų156138.9 Ų138.982%0.81777%0.765SS**  trans-68.176.3163.8-91.192.6000107.7
218D39Very low41.2Very low108 Ų108140.4 Ų140.458%0.57877%0.767SS**  trans-107.289.7156.5-81.9-40.6000104.9R216 E220R216-D218 WeakPolarHBondContact CG-OD2 3.37Å; R216-D218 IonicContact CZ-OD2 3.69Å; R216-D218 IonicContact NE-OD2 2.81Å; R216-D218 PolarHBondContact NE-OD2 3.36Å; R216-D218 IonicContact NH2-OD2 3.75Å; R216-D218 PolarHBondContact O-N 3.24Å; D218-E220 PolarHBondContact O-N 3.18Å
219N43.5Very low41.2Very low121 Ų121141.3 Ų141.365%0.64777%0.766SS**  trans-63.796.7161.2-79-23000105.6Y221N219-Y221 HydrophobicContact CB-CD2 3.99Å; N219-Y221 HydrophobicContact CB-CE2 3.84Å; N219-Y221 PolarHBondContact O-N 2.74Å
220E42.3Very low40.8Very low174 Ų174139.4 Ų139.481%0.81376%0.757SS**  trans-63.787.2164.4-106.3177.8156.300107.2D218 V222D218-E220 PolarHBondContact O-N 3.18Å; E220-V222 HydrophobicContact CB-CG2 4.5Å; E220-V222 PolarHBondContact O-N 3.29Å
221Y41.1Very low40.9Very low197 Ų197142.6 Ų142.677%0.77376%0.758SS**  trans-66.683.4158.3-77.6-85.7000106.5N219 E223N219-Y221 HydrophobicContact CB-CD2 3.99Å; N219-Y221 HydrophobicContact CB-CE2 3.84Å; N219-Y221 PolarHBondContact O-N 2.74Å; Y221-E223 PolarHBondContact O-N 2.71Å
222V41.6Very low41.3Very low117 Ų117144.1 Ų144.171%0.70975%0.754SS**  trans-69.196.1157.6-179.50000104.8E220 S224E220-V222 HydrophobicContact CB-CG2 4.5Å; E220-V222 PolarHBondContact O-N 3.29Å; V222-S224 VanDerWaalsContact C-N 3.26Å; V222-S224 PolarHBondContact O-N 3.3Å
223E40.9Very low41.3Very low178 Ų178148.1 Ų148.183%0.83276%0.755SS**  trans-56.9100.5161.1-79.9167.9156.600106.5Y221Y221-E223 PolarHBondContact O-N 2.71Å
224S37.1Very low41Very low81 Ų81144.5 Ų144.557%0.56675%0.748SS**  trans-57132.6169.652.70000107.4V222 C226V222-S224 VanDerWaalsContact C-N 3.26Å; V222-S224 PolarHBondContact O-N 3.3Å; S224-C226 PolarHBondContact O-N 3.05Å
225P41.1Very low41.4Very low133 Ų133141.5 Ų141.586%0.86474%0.74SS**  trans-65.4104.1179.927.3-31.9000108.3
226C41.8Very low41.3Very low104 Ų104143 Ų14370%0.70373%0.734SS**  trans-91.60160.6-69.20000108.7R193 C197 S224R193-C226 PolarHBondContact NH2-OXT 3.09Å; C197-C226 VanDerWaalsContact SG-SG 3.63Å; S224-C226 PolarHBondContact O-N 3.05Å

Retrieved 226 of 226 residues in 196.5 ms (Link to these results)

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