A0A087YRR6_POEFO Loading...

Gap junction protein

One gap junction consists of a cluster of closely packed pairs of transmembrane channels, the connexons, through which materials of low MW diffuse from one cell to a neighboring cell.

AlphaFold DB , UniProt , Accession A0A087YRR6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 216 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
1A38Very low50.5Low119 Ų119107 Ų10798%0.98355%0.552SS**  0129.4000000107.1W3A1-W3 HydrophobicContact CB-CZ2 4.41Å; A1-W3 PolarHBondContact O-N 3.14Å; A1-W3 VanDerWaalsContact O-N 3.16Å; A1-W3 PolarHBondContact O-NE1 3.33Å
2D41.7Very low50.3Low151 Ų151108 Ų10881%0.80755%0.552SS**  trans-72.9102.1-179.8-94.7-46.7000110.1S4D2-S4 VanDerWaalsContact C-N 3.33Å
3W48Very low50.3Low175 Ų17599.8 Ų99.866%0.66351%0.511SS*.  trans-84.4-10.8176.4-60.2103.1000112.8A1 F5 L6 E7A1-W3 HydrophobicContact CB-CZ2 4.41Å; A1-W3 PolarHBondContact O-N 3.14Å; A1-W3 VanDerWaalsContact O-N 3.16Å; A1-W3 PolarHBondContact O-NE1 3.33Å; W3-F5 VanDerWaalsContact C-N 3.28Å; W3-F5 PolarHBondContact O-N 3.19Å; W3-L6 HydrophobicContact CE3-CD2 4.16Å; W3-L6 HydrophobicContact CZ3-CD2 4.33Å; W3-L6 WeakPolarHBondContact O-CB 3.41Å; W3-L6 PolarHBondContact O-N 3.2Å; W3-E7 PolarHBondContact O-N 3.1Å
4S48.2Very low50.2Low70 Ų7096.8 Ų96.849%0.4949%0.494SS..Hα-helixtrans-58.7-34.5-177.856.90000113.3D2 H8D2-S4 VanDerWaalsContact C-N 3.33Å; S4-H8 WeakPolarHBondContact O-CB 3.43Å; S4-H8 PolarHBondContact O-N 3.12Å
5F49.1Very low50.2Low144 Ų14497.7 Ų97.763%0.63250%0.495SS*.Hα-helixtrans-70-38175.4178.1-107.7000112.5W3 E7 L9W3-F5 VanDerWaalsContact C-N 3.28Å; W3-F5 PolarHBondContact O-N 3.19Å; F5-E7 VanDerWaalsContact C-N 3.35Å; F5-L9 HydrophobicContact CD1-CD1 3.85Å; F5-L9 HydrophobicContact CE1-CD1 3.32Å; F5-L9 HydrophobicContact CE1-CG 4.3Å; F5-L9 HydrophobicContact CE2-CD1 4.12Å; F5-L9 HydrophobicContact CE2-CG 4.3Å; F5-L9 HydrophobicContact CG-CD1 4.46Å; F5-L9 HydrophobicContact CZ-CD1 3.48Å; F5-L9 VanDerWaalsContact CZ-CD1 3.48Å; F5-L9 HydrophobicContact CZ-CG 4.13Å; F5-L9 WeakPolarHBondContact O-CB 3.46Å; F5-L9 WeakPolarHBondContact O-CG 3.39Å; F5-L9 PolarHBondContact O-N 3.37Å
6L52.7Low50.2Low60 Ų6093.6 Ų93.631%0.31447%0.472SS..Hα-helixtrans-69.9-38.4177-156.378.7000110.5W3 L9 L10W3-L6 HydrophobicContact CE3-CD2 4.16Å; W3-L6 HydrophobicContact CZ3-CD2 4.33Å; W3-L6 WeakPolarHBondContact O-CB 3.41Å; W3-L6 PolarHBondContact O-N 3.2Å; L6-L9 PolarHBondContact O-N 3.12Å; L6-L10 WeakPolarHBondContact O-CB 3.48Å; L6-L10 WeakPolarHBondContact O-CD1 3.48Å; L6-L10 VanDerWaalsContact O-CG 3.22Å; L6-L10 WeakPolarHBondContact O-CG 3.35Å; L6-L10 PolarHBondContact O-N 3.18Å
7E54.3Low50.4Low130 Ų13089.2 Ų89.261%0.60745%0.452SS*.Hα-helixtrans-63.5-47.3175.3-162.3168.4-163.100111.2W3 F5 L9 L10 E11W3-E7 PolarHBondContact O-N 3.1Å; F5-E7 VanDerWaalsContact C-N 3.35Å; E7-L9 PolarHBondContact O-N 3.35Å; E7-L10 WeakPolarHBondContact O-CB 3.37Å; E7-L10 PolarHBondContact O-N 3.43Å; E7-L10 VanDerWaalsContact O-N 3.17Å; E7-E11 WeakPolarHBondContact O-CB 3.42Å; E7-E11 PolarHBondContact O-N 3.08Å
8H55.6Low51Low103 Ų10386.8 Ų86.848%0.47744%0.442SS..Hα-helixtrans-63.8-38.9175.9-150.3-74.6000112.4S4 E11 E12S4-H8 WeakPolarHBondContact O-CB 3.43Å; S4-H8 PolarHBondContact O-N 3.12Å; H8-E11 PolarHBondContact O-N 3.44Å; H8-E12 IonicContact CE1-OE1 3.26Å; H8-E12 IonicContact CE1-OE2 3.06Å; H8-E12 PolarHBondContact CE1-OE2 2.94Å; H8-E12 VanDerWaalsContact CE1-OE2 3.23Å; H8-E12 IonicContact ND1-OE2 2.69Å; H8-E12 PolarHBondContact ND1-OE2 2.71Å; H8-E12 WeakPolarHBondContact O-CB 3.48Å; H8-E12 PolarHBondContact O-N 3.31Å
9L55.9Low51.5Low30 Ų3085.4 Ų85.416%0.15745%0.445CS..Hα-helixtrans-68.4-31.8174.6-77.8175.4000113.3F5 L6 E7 I89F5-L9 HydrophobicContact CD1-CD1 3.85Å; F5-L9 HydrophobicContact CE1-CD1 3.32Å; F5-L9 HydrophobicContact CE1-CG 4.3Å; F5-L9 HydrophobicContact CE2-CD1 4.12Å; F5-L9 HydrophobicContact CE2-CG 4.3Å; F5-L9 HydrophobicContact CG-CD1 4.46Å; F5-L9 HydrophobicContact CZ-CD1 3.48Å; F5-L9 VanDerWaalsContact CZ-CD1 3.48Å; F5-L9 HydrophobicContact CZ-CG 4.13Å; F5-L9 WeakPolarHBondContact O-CB 3.46Å; F5-L9 WeakPolarHBondContact O-CG 3.39Å; F5-L9 PolarHBondContact O-N 3.37Å; L6-L9 PolarHBondContact O-N 3.12Å; E7-L9 PolarHBondContact O-N 3.35Å; L9-I89 HydrophobicContact CD1-CG2 4.21Å
10L56Low52Low48 Ų4887.5 Ų87.525%0.25146%0.456SS..Hα-helixtrans-71.2-34.2174.4-78.8165.2000111.6L6 E7 Q14 F29 L30L6-L10 WeakPolarHBondContact O-CB 3.48Å; L6-L10 WeakPolarHBondContact O-CD1 3.48Å; L6-L10 VanDerWaalsContact O-CG 3.22Å; L6-L10 WeakPolarHBondContact O-CG 3.35Å; L6-L10 PolarHBondContact O-N 3.18Å; E7-L10 WeakPolarHBondContact O-CB 3.37Å; E7-L10 PolarHBondContact O-N 3.43Å; E7-L10 VanDerWaalsContact O-N 3.17Å; L10-Q14 WeakPolarHBondContact O-CG 3.31Å; L10-Q14 PolarHBondContact O-NE2 3.31Å; L10-F29 HydrophobicContact CD2-CD1 3.97Å; L10-F29 HydrophobicContact CD2-CE1 4.09Å; L10-L30 HydrophobicContact CD1-CD2 4.33Å
11E56.6Low52.6Low147 Ų14783.7 Ų83.769%0.68744%0.438SS*.Hα-helixtrans-81.7-40.4-178.3-156171-161.200112.6E7 H8 Q14E7-E11 WeakPolarHBondContact O-CB 3.42Å; E7-E11 PolarHBondContact O-N 3.08Å; H8-E11 PolarHBondContact O-N 3.44Å; E11-Q14 VanDerWaalsContact O-CB 3.32Å; E11-Q14 WeakPolarHBondContact O-CB 3.4Å; E11-Q14 VanDerWaalsContact O-CG 3.28Å; E11-Q14 WeakPolarHBondContact O-CG 3.34Å
12E47.3Very low53.9Low119 Ų11979.8 Ų79.856%0.55640%0.398SS*.Hα-helixtrans-82.7-18.6-172.2-157164.9-156.300113.6H8 Q14H8-E12 IonicContact CE1-OE1 3.26Å; H8-E12 IonicContact CE1-OE2 3.06Å; H8-E12 PolarHBondContact CE1-OE2 2.94Å; H8-E12 VanDerWaalsContact CE1-OE2 3.23Å; H8-E12 IonicContact ND1-OE2 2.69Å; H8-E12 PolarHBondContact ND1-OE2 2.71Å; H8-E12 WeakPolarHBondContact O-CB 3.48Å; H8-E12 PolarHBondContact O-N 3.31Å; E12-Q14 PolarHBondContact O-N 2.99Å; E12-Q14 VanDerWaalsContact O-N 3.15Å
13G50.1Low55.4Low2 Ų277.5 Ų77.52%0.02139%0.385CS..G310 helixtrans-70.6-4.1173.900000115.1E15 Y92G13-E15 PolarHBondContact O-N 3.42Å; G13-Y92 VanDerWaalsContact CA-CZ 3.46Å; G13-Y92 WeakPolarHBondContact O-CE1 3.3Å; G13-Y92 PolarHBondContact O-OH 3.48Å
14Q48.7Very low56.6Low57 Ų5776 Ų7627%0.26638%0.379SS..G310 helixtrans-95.116.3-156.2-62.7-82.6-5600114.8L10 E11 E12 R22 T26L10-Q14 WeakPolarHBondContact O-CG 3.31Å; L10-Q14 PolarHBondContact O-NE2 3.31Å; E11-Q14 VanDerWaalsContact O-CB 3.32Å; E11-Q14 WeakPolarHBondContact O-CB 3.4Å; E11-Q14 VanDerWaalsContact O-CG 3.28Å; E11-Q14 WeakPolarHBondContact O-CG 3.34Å; E12-Q14 PolarHBondContact O-N 2.99Å; E12-Q14 VanDerWaalsContact O-N 3.15Å; Q14-R22 VanDerWaalsContact CD-CG 3.48Å; Q14-R22 VanDerWaalsContact O-CD 3.28Å; Q14-R22 WeakPolarHBondContact O-CD 3.35Å; Q14-R22 PolarHBondContact O-NE 2.98Å; Q14-R22 PolarHBondContact O-NH1 3.32Å; Q14-T26 PolarHBondContact NE2-OG1 2.78Å
15E51.4Low57.9Low111 Ų11174.1 Ų74.152%0.51936%0.363SS..G310 helixtrans-99.8-9.8-177.1-134.2176.6174.500115.4G13G13-E15 PolarHBondContact O-N 3.42Å
16Y49Very low59.2Low32 Ų3268.8 Ų68.813%0.12534%0.342CS..SBendtrans-119.9-2.8-163.2-66.5-81.9000118.7V95 E99 P121 L123 L127Y16-V95 HydrophobicContact CD2-CG1 4.47Å; Y16-V95 HydrophobicContact CE2-CG1 3.79Å; Y16-E99 PolarHBondContact OH-OE1 3.15Å; Y16-P121 HydrophobicContact CE1-CB 3.48Å; Y16-P121 VanDerWaalsContact CE1-CB 3.48Å; Y16-P121 VanDerWaalsContact CE1-CD 3.47Å; Y16-P121 HydrophobicContact CE1-CG 3.51Å; Y16-P121 WeakPolarHBondContact CE1-O 3.41Å; Y16-P121 HydrophobicContact CE2-CG 4.39Å; Y16-P121 VanDerWaalsContact CZ-CG 3.42Å; Y16-P121 WeakPolarHBondContact OH-CB 3.43Å; Y16-P121 WeakPolarHBondContact OH-CG 3.21Å; Y16-L123 HydrophobicContact CD1-CD1 3.51Å; Y16-L123 HydrophobicContact CE1-CD1 4.29Å; Y16-L123 HydrophobicContact CG-CD1 4.13Å; Y16-L127 HydrophobicContact CD1-CD2 4.45Å; Y16-L127 HydrophobicContact CE1-CD2 4.1Å
17S53.9Low60.5Low18 Ų1869.6 Ų69.613%0.12635%0.349CS..SBendtrans-101.9172.5178.8178.90000112.7R22 Y131 E204S17-R22 PolarHBondContact O-NH1 3.06Å; S17-R22 PolarHBondContact O-NH2 3.28Å; S17-Y131 WeakPolarHBondContact CB-OH 3.28Å; S17-Y131 PolarHBondContact OG-OH 3.48Å; S17-E204 PolarHBondContact OG-OE1 3.5Å
18T61.4Low61.9Low46 Ų4664.1 Ų64.128%0.28232%0.324SS..  trans-62.2138.116766.50000110.5I20 R22 E204T18-I20 PolarHBondContact O-N 3.49Å; T18-R22 VanDerWaalsContact O-CB 3.23Å; T18-R22 WeakPolarHBondContact O-CB 3.49Å; T18-R22 PolarHBondContact O-N 3Å; T18-E204 WeakPolarHBondContact CB-OE2 3.37Å; T18-E204 WeakPolarHBondContact CG2-OE2 3.42Å; T18-E204 PolarHBondContact N-OE1 3.09Å; T18-E204 VanDerWaalsContact N-OE1 3.12Å; T18-E204 PolarHBondContact OG1-OE2 2.94Å
19A60Low63.1Low60 Ų6060.8 Ų60.850%0.49631%0.309SS..Hα-helixtrans-59.2-33.2-173.900000113.6I23A19-I23 WeakPolarHBondContact O-CD1 3.5Å; A19-I23 VanDerWaalsContact O-CG1 3.24Å; A19-I23 WeakPolarHBondContact O-CG1 3.46Å; A19-I23 PolarHBondContact O-N 3.42Å
20I62.3Low64.4Low128 Ų12863.5 Ų63.566%0.65632%0.323SS*.Hα-helixtrans-79-48.1-175.3-70.1159.1000111.7T18 R22 I23 W24T18-I20 PolarHBondContact O-N 3.49Å; I20-R22 VanDerWaalsContact C-N 3.27Å; I20-R22 PolarHBondContact O-N 3.34Å; I20-I23 PolarHBondContact O-N 2.99Å; I20-W24 PolarHBondContact O-N 3.01Å
21G63.5Low65.6Low8 Ų865.7 Ų65.78%0.08233%0.33CS..Hα-helixtrans-62.2-38.8178.200000111.6L25G21-L25 VanDerWaalsContact O-CB 3.25Å; G21-L25 WeakPolarHBondContact O-CB 3.44Å; G21-L25 WeakPolarHBondContact O-CD1 3.49Å; G21-L25 WeakPolarHBondContact O-CG 3.32Å; G21-L25 PolarHBondContact O-N 3.13Å
22R66.8Low67Low36 Ų3659.7 Ų59.714%0.13630%0.302CS..Hα-helixtrans-62.6-49178174.3167.245.7-145-11.7114Q14 S17 T18 I20 T26Q14-R22 VanDerWaalsContact CD-CG 3.48Å; Q14-R22 VanDerWaalsContact O-CD 3.28Å; Q14-R22 WeakPolarHBondContact O-CD 3.35Å; Q14-R22 PolarHBondContact O-NE 2.98Å; Q14-R22 PolarHBondContact O-NH1 3.32Å; S17-R22 PolarHBondContact O-NH1 3.06Å; S17-R22 PolarHBondContact O-NH2 3.28Å; T18-R22 VanDerWaalsContact O-CB 3.23Å; T18-R22 WeakPolarHBondContact O-CB 3.49Å; T18-R22 PolarHBondContact O-N 3Å; I20-R22 VanDerWaalsContact C-N 3.27Å; I20-R22 PolarHBondContact O-N 3.34Å; R22-T26 PolarHBondContact O-N 3.41Å; R22-T26 VanDerWaalsContact O-N 3.08Å; R22-T26 PolarHBondContact O-OG1 2.91Å
23I72.7Confident68.8Low104 Ų10457 Ų5753%0.53329%0.291SS..Hα-helixtrans-61.8-47.7179.2-68.6164.7000110.1A19 I20 T26 V27A19-I23 WeakPolarHBondContact O-CD1 3.5Å; A19-I23 VanDerWaalsContact O-CG1 3.24Å; A19-I23 WeakPolarHBondContact O-CG1 3.46Å; A19-I23 PolarHBondContact O-N 3.42Å; I20-I23 PolarHBondContact O-N 2.99Å; I23-T26 PolarHBondContact O-N 2.96Å; I23-V27 HydrophobicContact CG2-CG2 4.41Å; I23-V27 WeakPolarHBondContact O-CB 3.46Å; I23-V27 VanDerWaalsContact O-CG2 3.25Å; I23-V27 WeakPolarHBondContact O-CG2 3.4Å; I23-V27 PolarHBondContact O-N 3.24Å
24W73.8Confident70.5Confident144 Ų14461.7 Ų61.755%0.54531%0.314SS..Hα-helixtrans-67.8-41-178.2-81.994.3000112.7I20 T26 V27 L28 L200I20-W24 PolarHBondContact O-N 3.01Å; W24-T26 VanDerWaalsContact C-N 3.35Å; W24-T26 PolarHBondContact O-N 2.84Å; W24-V27 PolarHBondContact O-N 3.08Å; W24-L28 WeakPolarHBondContact O-CB 3.41Å; W24-L28 WeakPolarHBondContact O-CG 3.46Å; W24-L28 PolarHBondContact O-N 3.25Å; W24-L200 HydrophobicContact CB-CD1 3.78Å
25L74.3Confident72.2Confident29 Ų2960 Ų6015%0.15231%0.308CS..Hα-helixtrans-63.9-39.6176.9-72.6171000111.9G21 F29 L200 N201G21-L25 VanDerWaalsContact O-CB 3.25Å; G21-L25 WeakPolarHBondContact O-CB 3.44Å; G21-L25 WeakPolarHBondContact O-CD1 3.49Å; G21-L25 WeakPolarHBondContact O-CG 3.32Å; G21-L25 PolarHBondContact O-N 3.13Å; L25-F29 WeakPolarHBondContact O-CB 3.34Å; L25-F29 PolarHBondContact O-N 3.17Å; L25-L200 HydrophobicContact CD2-CB 4.06Å; L25-L200 HydrophobicContact CD2-CD1 4.36Å; L25-L200 HydrophobicContact CG-CB 4.43Å; L25-N201 WeakPolarHBondContact CD1-OD1 3.37Å
26T76.5Confident73.7Confident32 Ų3255.6 Ų55.620%0.19629%0.288CS..Hα-helixtrans-65.8-46.4175.2-56.40000111.3Q14 R22 I23 W24 L28 F29 L30Q14-T26 PolarHBondContact NE2-OG1 2.78Å; R22-T26 PolarHBondContact O-N 3.41Å; R22-T26 VanDerWaalsContact O-N 3.08Å; R22-T26 PolarHBondContact O-OG1 2.91Å; I23-T26 PolarHBondContact O-N 2.96Å; W24-T26 VanDerWaalsContact C-N 3.35Å; W24-T26 PolarHBondContact O-N 2.84Å; T26-L28 PolarHBondContact O-N 3.45Å; T26-F29 WeakPolarHBondContact O-CB 3.41Å; T26-F29 PolarHBondContact O-N 3.25Å; T26-L30 HydrophobicContact CG2-CD1 4.2Å; T26-L30 HydrophobicContact CG2-CG 4.45Å; T26-L30 WeakPolarHBondContact O-CG 3.16Å; T26-L30 PolarHBondContact O-N 3.13Å
27V80.7Confident75.2Confident77 Ų7756.3 Ų56.347%0.46731%0.305SS..Hα-helixtrans-60.4-46.9178.11690000111.2I23 W24 F29 L30 F31I23-V27 HydrophobicContact CG2-CG2 4.41Å; I23-V27 WeakPolarHBondContact O-CB 3.46Å; I23-V27 VanDerWaalsContact O-CG2 3.25Å; I23-V27 WeakPolarHBondContact O-CG2 3.4Å; I23-V27 PolarHBondContact O-N 3.24Å; W24-V27 PolarHBondContact O-N 3.08Å; V27-F29 VanDerWaalsContact C-N 3.29Å; V27-F29 PolarHBondContact O-N 2.91Å; V27-L30 PolarHBondContact O-N 3.04Å; V27-F31 VanDerWaalsContact O-CB 3.29Å; V27-F31 WeakPolarHBondContact O-CB 3.42Å; V27-F31 PolarHBondContact O-N 3.42Å
28L83.2Confident76.3Confident15 Ų1559.7 Ų59.78%0.07933%0.325CS..Hα-helixtrans-64.1-36.5178.2-66.3171.6000111.5W24 T26 R32 I193 I196 L200W24-L28 WeakPolarHBondContact O-CB 3.41Å; W24-L28 WeakPolarHBondContact O-CG 3.46Å; W24-L28 PolarHBondContact O-N 3.25Å; T26-L28 PolarHBondContact O-N 3.45Å; L28-R32 WeakPolarHBondContact O-CG 3.16Å; L28-R32 PolarHBondContact O-N 2.69Å; L28-I193 HydrophobicContact CB-CG2 4.09Å; L28-I193 HydrophobicContact CD2-CG2 4.07Å; L28-I196 HydrophobicContact CD1-CB 4.41Å; L28-I196 HydrophobicContact CD1-CG2 3.72Å; L28-L200 HydrophobicContact CD1-CD1 3.73Å
29F80.3Confident77Confident34 Ų3458.6 Ų58.615%0.14932%0.32CS..Hα-helixtrans-65.8-48.1176.3-177.3-107000112.7L10 L25 T26 V27 F31 R32 I33 V81 S85L10-F29 HydrophobicContact CD2-CD1 3.97Å; L10-F29 HydrophobicContact CD2-CE1 4.09Å; L25-F29 WeakPolarHBondContact O-CB 3.34Å; L25-F29 PolarHBondContact O-N 3.17Å; T26-F29 WeakPolarHBondContact O-CB 3.41Å; T26-F29 PolarHBondContact O-N 3.25Å; V27-F29 VanDerWaalsContact C-N 3.29Å; V27-F29 PolarHBondContact O-N 2.91Å; F29-F31 VanDerWaalsContact C-N 3.3Å; F29-F31 PolarHBondContact O-N 3.37Å; F29-R32 WeakPolarHBondContact O-CB 3.33Å; F29-R32 PolarHBondContact O-N 2.98Å; F29-I33 HydrophobicContact CD1-CD1 4.05Å; F29-I33 HydrophobicContact CE1-CD1 3.35Å; F29-I33 HydrophobicContact CE1-CG1 4.33Å; F29-I33 HydrophobicContact CE2-CD1 4.3Å; F29-I33 HydrophobicContact CZ-CD1 3.51Å; F29-I33 HydrophobicContact CZ-CG1 4.21Å; F29-I33 PolarHBondContact O-N 3.36Å; F29-I33 VanDerWaalsContact O-N 3.11Å; F29-V81 HydrophobicContact CE2-CG1 3.74Å; F29-V81 HydrophobicContact CZ-CG1 4.11Å; F29-S85 WeakPolarHBondContact CE2-OG 3.05Å; F29-S85 WeakPolarHBondContact CZ-OG 3.48Å
30L83Confident77.9Confident87 Ų8755.9 Ų55.946%0.45530%0.298SS..Hα-helixtrans-61.5-41.5176.5-69.6176.2000111.3L10 T26 V27 R32 I33 L34L10-L30 HydrophobicContact CD1-CD2 4.33Å; T26-L30 HydrophobicContact CG2-CD1 4.2Å; T26-L30 HydrophobicContact CG2-CG 4.45Å; T26-L30 WeakPolarHBondContact O-CG 3.16Å; T26-L30 PolarHBondContact O-N 3.13Å; V27-L30 PolarHBondContact O-N 3.04Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-R32 PolarHBondContact O-N 2.87Å; L30-I33 PolarHBondContact O-N 2.92Å; L30-L34 WeakPolarHBondContact O-CB 3.13Å; L30-L34 PolarHBondContact O-N 3.43Å
31F83.2Confident78.9Confident93 Ų9354.9 Ų54.941%0.40829%0.29SS..Hα-helixtrans-64-37.4177.8-166.2-142.7000112V27 F29 L34 V35 Y189 I193V27-F31 VanDerWaalsContact O-CB 3.29Å; V27-F31 WeakPolarHBondContact O-CB 3.42Å; V27-F31 PolarHBondContact O-N 3.42Å; F29-F31 VanDerWaalsContact C-N 3.3Å; F29-F31 PolarHBondContact O-N 3.37Å; F31-L34 HydrophobicContact CD2-CD2 4.48Å; F31-L34 PolarHBondContact O-N 3.15Å; F31-V35 HydrophobicContact CD2-CG2 4.31Å; F31-V35 HydrophobicContact CE2-CG2 4.13Å; F31-V35 PolarHBondContact O-N 3.19Å; F31-Y189 HydrophobicContact CD1-CE2 4.41Å; F31-Y189 AromaticContact CD1-CZ 3.94Å; F31-Y189 WeakPolarHBondContact CD1-OH 3.36Å; F31-Y189 AromaticContact CE1-CE2 3.58Å; F31-Y189 HydrophobicContact CE1-CE2 3.58Å; F31-Y189 AromaticContact CE1-CZ 3.48Å; F31-Y189 VanDerWaalsContact CE1-CZ 3.48Å; F31-Y189 WeakPolarHBondContact CE1-OH 3.08Å; F31-Y189 WeakPolarHBondContact CE2-OH 3.33Å; F31-Y189 WeakPolarHBondContact CG-OH 3.1Å; F31-Y189 AromaticContact CZ-CE2 3.88Å; F31-Y189 HydrophobicContact CZ-CE2 3.88Å; F31-Y189 AromaticContact CZ-CZ 3.76Å; F31-Y189 WeakPolarHBondContact CZ-OH 3.36Å; F31-I193 HydrophobicContact CD1-CD1 3.59Å; F31-I193 HydrophobicContact CE1-CD1 3.95Å
32R86Confident79.8Confident22 Ų2257.8 Ų57.88%0.08331%0.31CS..Hα-helixtrans-60.4-48.1171.7-77.8-175.3-169.616314.2112.3L28 F29 L30 L34 L36 V81 E142 I193L28-R32 WeakPolarHBondContact O-CG 3.16Å; L28-R32 PolarHBondContact O-N 2.69Å; F29-R32 WeakPolarHBondContact O-CB 3.33Å; F29-R32 PolarHBondContact O-N 2.98Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-R32 PolarHBondContact O-N 2.87Å; R32-L34 VanDerWaalsContact C-N 3.33Å; R32-L34 PolarHBondContact O-N 2.93Å; R32-L36 WeakPolarHBondContact O-CB 3.36Å; R32-L36 VanDerWaalsContact O-CG 3.27Å; R32-L36 WeakPolarHBondContact O-CG 3.27Å; R32-L36 PolarHBondContact O-N 2.93Å; R32-V81 HydrophobicContact CB-CG2 4.42Å; R32-E142 IonicContact CZ-OE1 2.8Å; R32-E142 VanDerWaalsContact CZ-OE1 3.26Å; R32-E142 IonicContact NH1-OE1 2.76Å; R32-E142 PolarHBondContact NH1-OE1 3.36Å; R32-E142 IonicContact NH2-OE1 2.75Å; R32-E142 PolarHBondContact NH2-OE1 2.89Å; R32-I193 HydrophobicContact CG-CG2 3.82Å; R32-I193 PolarHBondContact NH2-O 2.81Å
33I85.1Confident80.7Confident63 Ų6356.1 Ų56.132%0.32330%0.303SS..Hα-helixtrans-62.4-44.7179.3-66.5176.6000110.3F29 L30 L36 G37 V81F29-I33 HydrophobicContact CD1-CD1 4.05Å; F29-I33 HydrophobicContact CE1-CD1 3.35Å; F29-I33 HydrophobicContact CE1-CG1 4.33Å; F29-I33 HydrophobicContact CE2-CD1 4.3Å; F29-I33 HydrophobicContact CZ-CD1 3.51Å; F29-I33 HydrophobicContact CZ-CG1 4.21Å; F29-I33 PolarHBondContact O-N 3.36Å; F29-I33 VanDerWaalsContact O-N 3.11Å; L30-I33 PolarHBondContact O-N 2.92Å; I33-L36 PolarHBondContact O-N 3.06Å; I33-G37 PolarHBondContact O-N 3.38Å; I33-V81 HydrophobicContact CG1-CG1 4.26Å
34L84.5Confident81.5Confident100 Ų10051.5 Ų51.552%0.52428%0.279SS..Hα-helixtrans-59.1-51.1179.7-178.668.2000111.5L30 F31 R32 L36 G37 T38L30-L34 WeakPolarHBondContact O-CB 3.13Å; L30-L34 PolarHBondContact O-N 3.43Å; F31-L34 HydrophobicContact CD2-CD2 4.48Å; F31-L34 PolarHBondContact O-N 3.15Å; R32-L34 VanDerWaalsContact C-N 3.33Å; R32-L34 PolarHBondContact O-N 2.93Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L34-L36 PolarHBondContact O-N 2.97Å; L34-G37 PolarHBondContact O-N 3.35Å; L34-T38 HydrophobicContact CD1-CG2 3.92Å; L34-T38 WeakPolarHBondContact O-CB 3.15Å; L34-T38 WeakPolarHBondContact O-CG2 3.48Å; L34-T38 PolarHBondContact O-N 3.49Å; L34-T38 PolarHBondContact O-OG1 3.44Å
35V84.1Confident82.2Confident21 Ų2151.3 Ų51.313%0.12729%0.289CS..Hα-helixtrans-65.2-38.4180170.90000111.8F31 A39 A40 F186 Y189F31-V35 HydrophobicContact CD2-CG2 4.31Å; F31-V35 HydrophobicContact CE2-CG2 4.13Å; F31-V35 PolarHBondContact O-N 3.19Å; V35-A39 HydrophobicContact CG1-CB 4.45Å; V35-A39 PolarHBondContact O-N 3.5Å; V35-A40 PolarHBondContact O-N 3.26Å; V35-F186 HydrophobicContact CG1-CD1 4.12Å; V35-F186 HydrophobicContact CG1-CE1 4.37Å; V35-Y189 HydrophobicContact CB-CE1 3.92Å; V35-Y189 HydrophobicContact CG1-CD1 4.18Å; V35-Y189 HydrophobicContact CG1-CE1 3.67Å; V35-Y189 HydrophobicContact CG2-CE1 3.74Å; V35-Y189 WeakPolarHBondContact CG2-OH 3.37Å
36L84.5Confident82.8Confident19 Ų1951.3 Ų51.310%0.09929%0.289CS..Iπ-helixtrans-62.5-46.4175.3-74.6169.4000112.2R32 I33 L34 A40 E41 F77 V81R32-L36 WeakPolarHBondContact O-CB 3.36Å; R32-L36 VanDerWaalsContact O-CG 3.27Å; R32-L36 WeakPolarHBondContact O-CG 3.27Å; R32-L36 PolarHBondContact O-N 2.93Å; I33-L36 PolarHBondContact O-N 3.06Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L34-L36 PolarHBondContact O-N 2.97Å; L36-A40 HydrophobicContact CD2-CB 3.98Å; L36-E41 PolarHBondContact O-N 2.88Å; L36-F77 HydrophobicContact CD1-CB 4.26Å; L36-F77 HydrophobicContact CD2-CB 3.48Å; L36-F77 VanDerWaalsContact CD2-CB 3.48Å; L36-F77 HydrophobicContact CD2-CD2 4.14Å; L36-F77 HydrophobicContact CD2-CG 4.23Å; L36-F77 HydrophobicContact CG-CB 4.49Å; L36-V81 HydrophobicContact CD1-CG2 3.58Å
37G79.3Confident83.5Confident47 Ų4751 Ų5149%0.48529%0.285SS..Iπ-helixtrans-79.5-15-17600000115.4I33 L34I33-G37 PolarHBondContact O-N 3.38Å; L34-G37 PolarHBondContact O-N 3.35Å
38T77.8Confident83.9Confident88 Ų8852.8 Ų52.854%0.5429%0.289SS..Iπ-helixtrans-111.1-36.3-177.556.10000113.6L34L34-T38 HydrophobicContact CD1-CG2 3.92Å; L34-T38 WeakPolarHBondContact O-CB 3.15Å; L34-T38 WeakPolarHBondContact O-CG2 3.48Å; L34-T38 PolarHBondContact O-N 3.49Å; L34-T38 PolarHBondContact O-OG1 3.44Å
39A76.1Confident84.3Confident23 Ų2356 Ų5619%0.1932%0.317CS..Iπ-helixtrans-119.7-39.9-166.900000112.1V35 S42 A43 F186V35-A39 HydrophobicContact CG1-CB 4.45Å; V35-A39 PolarHBondContact O-N 3.5Å; A39-S42 PolarHBondContact O-OG 3Å; A39-S42 VanDerWaalsContact O-OG 3.05Å; A39-A43 WeakPolarHBondContact O-CB 3.21Å; A39-A43 PolarHBondContact O-N 2.88Å; A39-F186 HydrophobicContact CB-CD1 4.41Å; A39-F186 HydrophobicContact CB-CE1 3.46Å; A39-F186 VanDerWaalsContact CB-CE1 3.46Å; A39-F186 HydrophobicContact CB-CE2 4.45Å; A39-F186 HydrophobicContact CB-CZ 3.5Å; A39-F186 VanDerWaalsContact CB-CZ 3.5Å
40A78.5Confident85Confident3 Ų358 Ų583%0.02533%0.329CS..Iπ-helixtrans-74.3-35.8179.800000112.6V35 L36 S42 A43 W44 F74V35-A40 PolarHBondContact O-N 3.26Å; L36-A40 HydrophobicContact CD2-CB 3.98Å; A40-S42 PolarHBondContact O-N 3.34Å; A40-A43 PolarHBondContact O-N 3.44Å; A40-W44 HydrophobicContact CB-CE3 4.28Å; A40-W44 HydrophobicContact CB-CZ3 4.26Å; A40-W44 VanDerWaalsContact O-CE3 3.25Å; A40-W44 PolarHBondContact O-N 2.98Å; A40-F74 HydrophobicContact CB-CD2 3.95Å; A40-F74 HydrophobicContact CB-CE2 4.43Å
41E82.8Confident85.6Confident107 Ų10754 Ų5450%0.531%0.309SS..Hα-helixtrans-60-48.2176.4-173.1172.4-173.500111L36 A43 W44 D45 F74L36-E41 PolarHBondContact O-N 2.88Å; E41-A43 PolarHBondContact O-N 3.35Å; E41-W44 PolarHBondContact O-N 2.65Å; E41-D45 WeakPolarHBondContact O-CB 3.44Å; E41-D45 PolarHBondContact O-N 2.9Å; E41-F74 HydrophobicContact CB-CE2 3.97Å; E41-F74 HydrophobicContact CB-CZ 4.26Å; E41-F74 HydrophobicContact CG-CZ 4.43Å
42S84.1Confident86.2Confident70 Ų7053.8 Ų53.849%0.4932%0.315SS..Hα-helixtrans-67.6-32.8-179.1580000113.9A39 A40 W44A39-S42 PolarHBondContact O-OG 3Å; A39-S42 VanDerWaalsContact O-OG 3.05Å; A40-S42 PolarHBondContact O-N 3.34Å; S42-W44 VanDerWaalsContact C-N 3.33Å
43A84.5Confident86.8Confident0 Ų053.2 Ų53.20%031%0.314CS..Hα-helixtrans-77.6-16.1177.800000113.9A39 A40 E41 E182 K183 F186A39-A43 WeakPolarHBondContact O-CB 3.21Å; A39-A43 PolarHBondContact O-N 2.88Å; A40-A43 PolarHBondContact O-N 3.44Å; E41-A43 PolarHBondContact O-N 3.35Å; A43-E182 HydrophobicContact CB-CG 4.27Å; A43-K183 WeakPolarHBondContact O-CE 3.28Å; A43-F186 HydrophobicContact CB-CD2 4.04Å; A43-F186 HydrophobicContact CB-CE2 3.82Å
44W89.9Confident87.3Confident8 Ų856 Ų563%0.0333%0.33CS..Hα-helixtrans-115.3-7.9-179.3-86-96.7000114.6A40 E41 S42 D46 E47 H73 F74 I158 K183 F186A40-W44 HydrophobicContact CB-CE3 4.28Å; A40-W44 HydrophobicContact CB-CZ3 4.26Å; A40-W44 VanDerWaalsContact O-CE3 3.25Å; A40-W44 PolarHBondContact O-N 2.98Å; E41-W44 PolarHBondContact O-N 2.65Å; S42-W44 VanDerWaalsContact C-N 3.33Å; W44-D46 VanDerWaalsContact C-N 3.32Å; W44-D46 PolarHBondContact O-N 2.94Å; W44-E47 VanDerWaalsContact O-CB 3.22Å; W44-E47 WeakPolarHBondContact O-CB 3.36Å; W44-E47 WeakPolarHBondContact O-CG 3.42Å; W44-E47 PolarHBondContact O-N 3.41Å; W44-E47 VanDerWaalsContact O-N 3.16Å; W44-H73 HydrophobicContact CZ2-CB 3.63Å; W44-F74 HydrophobicContact CB-CB 3.92Å; W44-F74 HydrophobicContact CD2-CB 4.44Å; W44-F74 HydrophobicContact CG-CB 3.99Å; W44-I158 HydrophobicContact CZ2-CD1 4.21Å; W44-K183 HydrophobicContact CD2-CD 4.29Å; W44-K183 HydrophobicContact CD2-CG 4.03Å; W44-K183 HydrophobicContact CE3-CG 4.18Å; W44-K183 VanDerWaalsContact CH2-CA 3.48Å; W44-K183 HydrophobicContact CH2-CB 3.7Å; W44-K183 HydrophobicContact CH2-CG 3.89Å; W44-K183 WeakPolarHBondContact CH2-O 3.41Å; W44-K183 HydrophobicContact CZ2-CB 3.5Å; W44-K183 VanDerWaalsContact CZ2-CB 3.5Å; W44-K183 HydrophobicContact CZ2-CD 4.15Å; W44-K183 HydrophobicContact CZ2-CG 3.64Å; W44-K183 HydrophobicContact CZ3-CB 4.37Å; W44-K183 HydrophobicContact CZ3-CG 4.13Å; W44-F186 HydrophobicContact CH2-CB 3.75Å; W44-F186 HydrophobicContact CH2-CD2 4.43Å; W44-F186 HydrophobicContact CZ3-CB 3.73Å; W44-F186 AromaticContact CZ3-CD2 3.77Å; W44-F186 HydrophobicContact CZ3-CD2 3.77Å; W44-F186 HydrophobicContact CZ3-CG 4.09Å
45D87.7Confident87.9Confident140 Ų14053 Ų5375%0.74932%0.315SS*.THydrogen-bonded Turntrans-62-37.5-179.2-16845.1000113E41E41-D45 WeakPolarHBondContact O-CB 3.44Å; E41-D45 PolarHBondContact O-N 2.9Å
46D88.3Confident88.5Confident29 Ų2962.1 Ų62.116%0.15535%0.353CS..THydrogen-bonded Turntrans-90.48.3178.560.77.9000113.4W44 Q48 A49 D50 R179W44-D46 VanDerWaalsContact C-N 3.32Å; W44-D46 PolarHBondContact O-N 2.94Å; D46-Q48 VanDerWaalsContact C-N 3.33Å; D46-Q48 PolarHBondContact O-N 3.23Å; D46-A49 PolarHBondContact O-N 3.21Å; D46-D50 PolarHBondContact O-N 2.92Å; D46-R179 IonicContact OD2-CZ 3.56Å; D46-R179 IonicContact OD2-NE 3.33Å; D46-R179 PolarHBondContact OD2-NE 3.47Å; D46-R179 IonicContact OD2-NH2 2.97Å; D46-R179 PolarHBondContact OD2-NH2 2.99Å
47E90.1Very high89Confident25 Ų2565.2 Ų65.212%0.11737%0.367CS..THydrogen-bonded Turntrans-59.3-38.5-166.771.6176.4154.400114.4W44 F51 Y65 S72W44-E47 VanDerWaalsContact O-CB 3.22Å; W44-E47 WeakPolarHBondContact O-CB 3.36Å; W44-E47 WeakPolarHBondContact O-CG 3.42Å; W44-E47 PolarHBondContact O-N 3.41Å; W44-E47 VanDerWaalsContact O-N 3.16Å; E47-F51 WeakPolarHBondContact O-CB 3.35Å; E47-Y65 HydrophobicContact CG-CE2 4.17Å; E47-Y65 WeakPolarHBondContact CG-OH 3.39Å; E47-Y65 PolarHBondContact OE1-OH 3.02Å; E47-Y65 VanDerWaalsContact OE1-OH 3.07Å; E47-Y65 PolarHBondContact OE2-OH 3.45Å; E47-S72 VanDerWaalsContact CD-CB 3.49Å; E47-S72 WeakPolarHBondContact OE1-CB 2.8Å; E47-S72 PolarHBondContact OE1-OG 2.93Å; E47-S72 VanDerWaalsContact OE2-CB 3.28Å; E47-S72 WeakPolarHBondContact OE2-CB 3.32Å
48Q90Very high89.8Confident114 Ų11467.9 Ų67.953%0.53338%0.376SS..THydrogen-bonded Turntrans-88.3-31.6-178.6-174.3175.5-10.300111.3D46 Y65D46-Q48 VanDerWaalsContact C-N 3.33Å; D46-Q48 PolarHBondContact O-N 3.23Å; Q48-Y65 HydrophobicContact CB-CD1 4.47Å; Q48-Y65 HydrophobicContact CB-CD2 4.38Å; Q48-Y65 HydrophobicContact CB-CE1 4.07Å; Q48-Y65 HydrophobicContact CB-CE2 3.97Å; Q48-Y65 HydrophobicContact CG-CD1 3.91Å; Q48-Y65 HydrophobicContact CG-CD2 4.33Å; Q48-Y65 HydrophobicContact CG-CE1 3.92Å; Q48-Y65 HydrophobicContact CG-CE2 4.34Å; Q48-Y65 HydrophobicContact CG-CG 4.12Å
49A91.6Very high90.7Very high82 Ų8265.6 Ų65.668%0.67837%0.369SS*.THydrogen-bonded Turntrans-67.9-41.3179.200000111.2D46D46-A49 PolarHBondContact O-N 3.21Å
50D94.1Very high91.7Very high76 Ų7664.5 Ų64.541%0.40636%0.36SS..SBendtrans-96.710.3-177.4-70.5-12.3000113.3D46 V52 S178D46-D50 PolarHBondContact O-N 2.92Å; D50-V52 PolarHBondContact O-N 3.44Å; D50-S178 VanDerWaalsContact CB-CB 3.49Å
51F96Very high92.5Very high5 Ų566.5 Ų66.52%0.02237%0.372CS..  trans-81.1104.5169.5-174-98.3000109.6E47 C53 T61 C64 Y65 A68 F69 F162 C175 V177E47-F51 WeakPolarHBondContact O-CB 3.35Å; F51-C53 VanDerWaalsContact CE1-SG 3.58Å; F51-T61 HydrophobicContact CD1-CG2 3.86Å; F51-T61 WeakPolarHBondContact O-CG2 3.38Å; F51-C64 HydrophobicContact CE1-CB 4.05Å; F51-C64 HydrophobicContact CZ-CB 4.48Å; F51-Y65 HydrophobicContact CB-CD2 3.95Å; F51-Y65 HydrophobicContact CD1-CD2 4.17Å; F51-Y65 HydrophobicContact CD1-CG 4.43Å; F51-Y65 HydrophobicContact CD2-CD2 4.25Å; F51-Y65 AromaticContact CG-CD2 3.87Å; F51-Y65 HydrophobicContact CG-CD2 3.87Å; F51-A68 HydrophobicContact CE2-CB 4.46Å; F51-A68 HydrophobicContact CZ-CB 4.34Å; F51-F69 HydrophobicContact CD2-CE2 4.2Å; F51-F69 HydrophobicContact CE2-CE2 4.01Å; F51-F162 HydrophobicContact CZ-CD1 4.4Å; F51-C175 HydrophobicContact CE1-CB 3.7Å; F51-C175 HydrophobicContact CE2-CB 4.01Å; F51-C175 HydrophobicContact CZ-CB 3.35Å; F51-V177 HydrophobicContact CD2-CG2 4.35Å; F51-V177 HydrophobicContact CE2-CG2 4.08Å
52V96.5Very high93.2Very high88 Ų8864.6 Ų64.653%0.53337%0.371SS..EExtended strand (participates in β ladder)trans-111.6125.7-171.8-178.40000110.7D50 C175 F176D50-V52 PolarHBondContact O-N 3.44Å; V52-C175 CarbonylContact O-C 3.57Å; V52-C175 WeakPolarHBondContact O-CA 3.26Å; V52-F176 PolarHBondContact N-O 3.18Å; V52-F176 PolarHBondContact O-N 3.49Å
53C97.4Very high93.8Very high9 Ų963 Ų636%0.06136%0.358CS..EExtended strand (participates in β ladder)trans-103.8140.7172.2-60.30000111.3F51 T55 V173 D174 C175F51-C53 VanDerWaalsContact CE1-SG 3.58Å; C53-T55 HydrophobicContact CB-CG2 3.92Å; C53-T55 PolarHBondContact O-N 2.94Å; C53-V173 HydrophobicContact CB-CG2 4.47Å; C53-D174 CarbonylContact C-O 3.53Å; C53-D174 WeakPolarHBondContact CA-O 3.21Å; C53-C175 HydrophobicContact CB-CB 4.08Å; C53-C175 WeakPolarHBondContact CB-SG 3.17Å; C53-C175 WeakPolarHBondContact SG-CB 3.43Å; C53-C175 CovalentContact SG-SG 2.04Å; C53-C175 PolarHBondContact SG-SG 3.44Å
54N96.8Very high94.4Very high123 Ų12363 Ų6366%0.65836%0.358SS*.SBendtrans-75.870.4176.7-171.37.2000111.3D174N54-D174 PolarHBondContact N-O 2.64Å
55T96.3Very high94.6Very high36 Ų3663.7 Ų63.722%0.22136%0.361CS..  trans-158.2150.4-179-174.10000110.9C53 Q57 C60 V173C53-T55 HydrophobicContact CB-CG2 3.92Å; C53-T55 PolarHBondContact O-N 2.94Å; T55-Q57 WeakPolarHBondContact OG1-CB 3.4Å; T55-Q57 PolarHBondContact OG1-N 2.88Å; T55-C60 HydrophobicContact CG2-CB 3.91Å; T55-V173 HydrophobicContact CG2-CG1 4.42Å
56K95.6Very high95Very high213 Ų21360.8 Ų60.893%0.92635%0.345SS*.  trans-98.11.1171-64-174.8-180-179.40112.6P58K56-P58 WeakPolarHBondContact O-CD 3.29Å
57Q96Very high95.4Very high84 Ų8464.2 Ų64.239%0.39336%0.359SS..  trans-71.7120-177.1-178.662.331.300110.9T55 G59 C60 P168T55-Q57 WeakPolarHBondContact OG1-CB 3.4Å; T55-Q57 PolarHBondContact OG1-N 2.88Å; Q57-G59 PolarHBondContact O-N 2.76Å; Q57-C60 HydrophobicContact CB-CB 4.12Å; Q57-C60 HydrophobicContact CG-CB 4.24Å; Q57-C60 PolarHBondContact O-N 3.42Å; Q57-P168 VanDerWaalsContact CG-O 3.3Å; Q57-P168 WeakPolarHBondContact CG-O 3.37Å
58P96.8Very high95.6Very high103 Ų10363.7 Ų63.767%0.66936%0.359SS*.THydrogen-bonded Turntrans-59.9138.1177.1-23.534.6000112K56 C60 P168K56-P58 WeakPolarHBondContact O-CD 3.29Å; P58-C60 PolarHBondContact O-N 3.15Å; P58-P168 WeakPolarHBondContact O-CG 3.31Å
59G95.9Very high95.8Very high39 Ų3959.5 Ų59.540%0.40234%0.339SS..THydrogen-bonded Turntrans79.8-13.9177.500000115.8Q57 T61 S62 V63Q57-G59 PolarHBondContact O-N 2.76Å; G59-T61 PolarHBondContact O-N 3.23Å; G59-S62 PolarHBondContact O-N 3.23Å; G59-V63 PolarHBondContact O-N 2.88Å
60C97.1Very high95.9Very high0 Ų059.3 Ų59.30%033%0.331CS..Hα-helixtrans-61.8-45.4179.7175.30000111.9T55 Q57 P58 S62 V63 C64 C169T55-C60 HydrophobicContact CG2-CB 3.91Å; Q57-C60 HydrophobicContact CB-CB 4.12Å; Q57-C60 HydrophobicContact CG-CB 4.24Å; Q57-C60 PolarHBondContact O-N 3.42Å; P58-C60 PolarHBondContact O-N 3.15Å; C60-S62 VanDerWaalsContact C-N 3.33Å; C60-S62 PolarHBondContact O-N 3.35Å; C60-V63 WeakPolarHBondContact O-CG2 3.49Å; C60-V63 PolarHBondContact O-N 3.37Å; C60-C64 WeakPolarHBondContact O-CB 3.39Å; C60-C64 PolarHBondContact O-N 3.44Å; C60-C64 PolarHBondContact O-SG 3.23Å; C60-C169 VanDerWaalsContact CA-SG 3.58Å; C60-C169 HydrophobicContact CB-CB 4.15Å; C60-C169 WeakPolarHBondContact CB-SG 3.28Å; C60-C169 WeakPolarHBondContact SG-CB 3.35Å; C60-C169 CovalentContact SG-SG 2.03Å; C60-C169 PolarHBondContact SG-SG 2.85Å
61T96.1Very high95.9Very high45 Ų4557.7 Ų57.728%0.27632%0.322SS..Hα-helixtrans-56.5-45177.2-52.20000112.5F51 G59 C64 Y65F51-T61 HydrophobicContact CD1-CG2 3.86Å; F51-T61 WeakPolarHBondContact O-CG2 3.38Å; G59-T61 PolarHBondContact O-N 3.23Å; T61-C64 PolarHBondContact O-N 3.49Å; T61-Y65 WeakPolarHBondContact O-CB 3.27Å; T61-Y65 PolarHBondContact O-N 3.47Å
62S95.7Very high95.8Very high68 Ų6857.8 Ų57.848%0.47632%0.323SS..Hα-helixtrans-64.7-44.1-177.8-50.10000112.6G59 C60 C64 D66G59-S62 PolarHBondContact O-N 3.23Å; C60-S62 VanDerWaalsContact C-N 3.33Å; C60-S62 PolarHBondContact O-N 3.35Å; S62-C64 VanDerWaalsContact C-N 3.33Å; S62-D66 PolarHBondContact O-N 2.95Å; S62-D66 VanDerWaalsContact O-N 3.08Å
63V96.9Very high95.6Very high35 Ų3553.7 Ų53.721%0.21230%0.298CS..Hα-helixtrans-72.1-29.9179.5-59.70000112.4G59 C60 K67 R166 F167G59-V63 PolarHBondContact O-N 2.88Å; C60-V63 WeakPolarHBondContact O-CG2 3.49Å; C60-V63 PolarHBondContact O-N 3.37Å; V63-K67 WeakPolarHBondContact O-CB 3.1Å; V63-K67 PolarHBondContact O-N 2.94Å; V63-K67 VanDerWaalsContact O-N 3.09Å; V63-R166 HydrophobicContact CB-CG 4.32Å; V63-R166 HydrophobicContact CG2-CB 4.24Å; V63-R166 HydrophobicContact CG2-CG 4.32Å; V63-R166 WeakPolarHBondContact O-CD 3.38Å; V63-R166 PolarHBondContact O-NH1 3.03Å; V63-F167 WeakPolarHBondContact CG2-O 3.33Å
64C97.1Very high95.3Very high0 Ų055.7 Ų55.70%031%0.306CS..Hα-helixtrans-73.5-40.4176.1-68.40000111.5F51 C60 T61 S62 K67 A68 C164 C169F51-C64 HydrophobicContact CE1-CB 4.05Å; F51-C64 HydrophobicContact CZ-CB 4.48Å; C60-C64 WeakPolarHBondContact O-CB 3.39Å; C60-C64 PolarHBondContact O-N 3.44Å; C60-C64 PolarHBondContact O-SG 3.23Å; T61-C64 PolarHBondContact O-N 3.49Å; S62-C64 VanDerWaalsContact C-N 3.33Å; C64-K67 PolarHBondContact O-N 3.07Å; C64-A68 WeakPolarHBondContact O-CB 3.1Å; C64-A68 PolarHBondContact O-N 3.38Å; C64-C164 WeakPolarHBondContact CA-SG 3.48Å; C64-C164 HydrophobicContact CB-CB 3.66Å; C64-C164 WeakPolarHBondContact CB-SG 3.35Å; C64-C164 WeakPolarHBondContact SG-CB 3.44Å; C64-C164 CovalentContact SG-SG 2.02Å; C64-C164 PolarHBondContact SG-SG 2.89Å; C64-C169 PolarHBondContact SG-SG 3.22Å
65Y95.8Very high95.1Very high23 Ų2357.6 Ų57.69%0.0930%0.304CS..Hα-helixtrans-58-50.8171.5175-95.7000111E47 Q48 F51 T61 K67 A68 F69E47-Y65 HydrophobicContact CG-CE2 4.17Å; E47-Y65 WeakPolarHBondContact CG-OH 3.39Å; E47-Y65 PolarHBondContact OE1-OH 3.02Å; E47-Y65 VanDerWaalsContact OE1-OH 3.07Å; E47-Y65 PolarHBondContact OE2-OH 3.45Å; Q48-Y65 HydrophobicContact CB-CD1 4.47Å; Q48-Y65 HydrophobicContact CB-CD2 4.38Å; Q48-Y65 HydrophobicContact CB-CE1 4.07Å; Q48-Y65 HydrophobicContact CB-CE2 3.97Å; Q48-Y65 HydrophobicContact CG-CD1 3.91Å; Q48-Y65 HydrophobicContact CG-CD2 4.33Å; Q48-Y65 HydrophobicContact CG-CE1 3.92Å; Q48-Y65 HydrophobicContact CG-CE2 4.34Å; Q48-Y65 HydrophobicContact CG-CG 4.12Å; F51-Y65 HydrophobicContact CB-CD2 3.95Å; F51-Y65 HydrophobicContact CD1-CD2 4.17Å; F51-Y65 HydrophobicContact CD1-CG 4.43Å; F51-Y65 HydrophobicContact CD2-CD2 4.25Å; F51-Y65 AromaticContact CG-CD2 3.87Å; F51-Y65 HydrophobicContact CG-CD2 3.87Å; T61-Y65 WeakPolarHBondContact O-CB 3.27Å; T61-Y65 PolarHBondContact O-N 3.47Å; Y65-K67 PolarHBondContact O-N 3.07Å; Y65-A68 PolarHBondContact O-N 2.9Å; Y65-A68 VanDerWaalsContact O-N 3.13Å; Y65-F69 HydrophobicContact CD2-CD2 4.02Å; Y65-F69 HydrophobicContact CE2-CB 4.42Å; Y65-F69 AromaticContact CE2-CD2 3.93Å; Y65-F69 HydrophobicContact CE2-CD2 3.93Å; Y65-F69 PolarHBondContact O-N 3.4Å
66D95.8Very high95Very high80 Ų8056.9 Ų56.943%0.42830%0.297SS..Hα-helixtrans-58.4-33176.7178.577.6000112.7S62 P70 R166S62-D66 PolarHBondContact O-N 2.95Å; S62-D66 VanDerWaalsContact O-N 3.08Å; D66-P70 WeakPolarHBondContact O-CA 3.49Å; D66-R166 IonicContact OD2-CZ 3.23Å; D66-R166 IonicContact OD2-NH1 3.77Å; D66-R166 PolarHBondContact OD2-NH1 3.09Å; D66-R166 IonicContact OD2-NH2 2.88Å; D66-R166 PolarHBondContact OD2-NH2 3.36Å
67K95Very high94.9Very high101 Ų10147 Ų4744%0.43925%0.254SS..Hα-helixtrans-75.2-41.4176.3-170.2178178.2179.50112.4V63 C64 Y65 F162 R166V63-K67 WeakPolarHBondContact O-CB 3.1Å; V63-K67 PolarHBondContact O-N 2.94Å; V63-K67 VanDerWaalsContact O-N 3.09Å; C64-K67 PolarHBondContact O-N 3.07Å; Y65-K67 PolarHBondContact O-N 3.07Å; K67-F162 HydrophobicContact CB-CZ 4.38Å; K67-F162 HydrophobicContact CD-CZ 4.3Å; K67-F162 HydrophobicContact CG-CZ 4.14Å; K67-R166 HydrophobicContact CD-CB 4.34Å
68A94.3Very high94.7Very high14 Ų1445.5 Ų45.512%0.11625%0.25CS..Hα-helixtrans-72.2-38.5-178.300000111.8F51 C64 Y65 F162F51-A68 HydrophobicContact CE2-CB 4.46Å; F51-A68 HydrophobicContact CZ-CB 4.34Å; C64-A68 WeakPolarHBondContact O-CB 3.1Å; C64-A68 PolarHBondContact O-N 3.38Å; Y65-A68 PolarHBondContact O-N 2.9Å; Y65-A68 VanDerWaalsContact O-N 3.13Å; A68-F162 HydrophobicContact CB-CD1 3.79Å; A68-F162 HydrophobicContact CB-CD2 3.89Å; A68-F162 HydrophobicContact CB-CE1 3.79Å; A68-F162 HydrophobicContact CB-CE2 3.9Å; A68-F162 HydrophobicContact CB-CG 3.83Å; A68-F162 HydrophobicContact CB-CZ 3.84Å
69F94.8Very high94.5Very high25 Ų2543.9 Ų43.911%0.1124%0.236CC..  trans-132.373-175.2-55.3-70.5000110.2F51 Y65 I71 Y153 I158 V177F51-F69 HydrophobicContact CD2-CE2 4.2Å; F51-F69 HydrophobicContact CE2-CE2 4.01Å; Y65-F69 HydrophobicContact CD2-CD2 4.02Å; Y65-F69 HydrophobicContact CE2-CB 4.42Å; Y65-F69 AromaticContact CE2-CD2 3.93Å; Y65-F69 HydrophobicContact CE2-CD2 3.93Å; Y65-F69 PolarHBondContact O-N 3.4Å; F69-I71 CarbonylContact C-O 3.53Å; F69-I71 PolarHBondContact O-N 3.38Å; F69-Y153 HydrophobicContact CD1-CE1 4.16Å; F69-I158 HydrophobicContact CE1-CG2 4.44Å; F69-I158 HydrophobicContact CZ-CG2 4.36Å; F69-V177 HydrophobicContact CE2-CG1 4.18Å; F69-V177 HydrophobicContact CE2-CG2 3.95Å; F69-V177 HydrophobicContact CZ-CB 4.48Å; F69-V177 HydrophobicContact CZ-CG1 3.81Å; F69-V177 HydrophobicContact CZ-CG2 3.76Å
70P93.9Very high94.4Very high78 Ų7842.3 Ų42.351%0.50622%0.218SC..SBendtrans-60.4-31.4-17924.4-34.5000112.5D66 L152D66-P70 WeakPolarHBondContact O-CA 3.49Å; P70-L152 HydrophobicContact CG-CD1 4.15Å; P70-L152 HydrophobicContact CG-CG 4.35Å
71I94.5Very high94.1Very high43 Ų4343.3 Ų43.322%0.22122%0.224CC..SBendtrans-126.1149.3159.9-169.7172.7000106.6F69 R75 Y76 L79 L152 Y153F69-I71 CarbonylContact C-O 3.53Å; F69-I71 PolarHBondContact O-N 3.38Å; I71-R75 HydrophobicContact CD1-CB 4.18Å; I71-R75 HydrophobicContact CG1-CB 3.88Å; I71-Y76 HydrophobicContact CG2-CD2 4.08Å; I71-L79 HydrophobicContact CD1-CD1 3.75Å; I71-L152 HydrophobicContact CG2-CD2 3.57Å; I71-Y153 WeakPolarHBondContact CG2-OH 3.48Å; I71-Y153 PolarHBondContact O-OH 2.99Å
72S92.8Very high93.8Very high6 Ų645.6 Ų45.64%0.04223%0.234CC..  trans-78.6148.7171.267.30000110.8E47 F74 R75 Y76E47-S72 VanDerWaalsContact CD-CB 3.49Å; E47-S72 WeakPolarHBondContact OE1-CB 2.8Å; E47-S72 PolarHBondContact OE1-OG 2.93Å; E47-S72 VanDerWaalsContact OE2-CB 3.28Å; E47-S72 WeakPolarHBondContact OE2-CB 3.32Å; S72-F74 PolarHBondContact O-N 3.3Å; S72-R75 PolarHBondContact O-N 3.38Å; S72-R75 VanDerWaalsContact O-N 3.15Å; S72-R75 WeakPolarHBondContact OG-CD 3.46Å; S72-R75 VanDerWaalsContact OG-CG 3.3Å; S72-R75 WeakPolarHBondContact OG-CG 3.44Å; S72-R75 PolarHBondContact OG-N 2.9Å; S72-Y76 PolarHBondContact O-N 3.42Å
73H92.3Very high93.7Very high2 Ų247.1 Ų47.11%0.00923%0.232CC..Hα-helixtrans-60.8-37.9-179.6-72.965.9000111.2W44 R75 Y76 F77 Y153W44-H73 HydrophobicContact CZ2-CB 3.63Å; H73-R75 PolarHBondContact O-N 3Å; H73-Y76 VanDerWaalsContact O-CB 3.31Å; H73-Y76 WeakPolarHBondContact O-CB 3.37Å; H73-Y76 PolarHBondContact O-N 3.3Å; H73-F77 HydrophobicContact CB-CE2 3.91Å; H73-F77 HydrophobicContact CB-CZ 4.24Å; H73-F77 WeakPolarHBondContact O-CD2 3.48Å; H73-F77 VanDerWaalsContact O-CG 3.26Å; H73-F77 WeakPolarHBondContact O-CG 3.41Å; H73-F77 PolarHBondContact O-N 2.75Å; H73-Y153 AromaticContact CE1-CD1 3.35Å; H73-Y153 WeakPolarHBondContact CE1-CD1 3.46Å; H73-Y153 AromaticContact CE1-CD2 3.78Å; H73-Y153 AromaticContact CE1-CE1 3.33Å; H73-Y153 WeakPolarHBondContact CE1-CE1 3.35Å; H73-Y153 AromaticContact CE1-CE2 3.77Å; H73-Y153 AromaticContact CE1-CG 3.55Å; H73-Y153 AromaticContact CE1-CZ 3.52Å; H73-Y153 AromaticContact ND1-CE1 3.73Å; H73-Y153 AromaticContact ND1-CZ 3.66Å; H73-Y153 AromaticContact NE2-CD1 3.94Å; H73-Y153 AromaticContact NE2-CD2 3.6Å; H73-Y153 AromaticContact NE2-CE2 3.83Å; H73-Y153 AromaticContact NE2-CG 3.63Å
74F90.9Very high93.5Very high51 Ų5145.8 Ų45.822%0.22422%0.224CC..Hα-helixtrans-54.9-52.2173.4175.7-101.6000112A40 E41 W44 S72 Y76 F77 V78A40-F74 HydrophobicContact CB-CD2 3.95Å; A40-F74 HydrophobicContact CB-CE2 4.43Å; E41-F74 HydrophobicContact CB-CE2 3.97Å; E41-F74 HydrophobicContact CB-CZ 4.26Å; E41-F74 HydrophobicContact CG-CZ 4.43Å; W44-F74 HydrophobicContact CB-CB 3.92Å; W44-F74 HydrophobicContact CD2-CB 4.44Å; W44-F74 HydrophobicContact CG-CB 3.99Å; S72-F74 PolarHBondContact O-N 3.3Å; F74-Y76 VanDerWaalsContact C-N 3.28Å; F74-Y76 PolarHBondContact O-N 2.88Å; F74-F77 PolarHBondContact O-N 3.39Å; F74-V78 HydrophobicContact CD1-CG2 4.42Å; F74-V78 HydrophobicContact CE1-CG2 4.04Å; F74-V78 HydrophobicContact CE2-CG2 4.29Å; F74-V78 HydrophobicContact CZ-CG2 3.97Å; F74-V78 WeakPolarHBondContact O-CG2 3.43Å; F74-V78 PolarHBondContact O-N 3.11Å
75R93Very high93Very high164 Ų16446.6 Ų46.662%0.61923%0.229SC*.Hα-helixtrans-62.1-37.9177.4-71.3176.5-175.7-1804.2111.8I71 S72 H73 V78 L79I71-R75 HydrophobicContact CD1-CB 4.18Å; I71-R75 HydrophobicContact CG1-CB 3.88Å; S72-R75 PolarHBondContact O-N 3.38Å; S72-R75 VanDerWaalsContact O-N 3.15Å; S72-R75 WeakPolarHBondContact OG-CD 3.46Å; S72-R75 VanDerWaalsContact OG-CG 3.3Å; S72-R75 WeakPolarHBondContact OG-CG 3.44Å; S72-R75 PolarHBondContact OG-N 2.9Å; H73-R75 PolarHBondContact O-N 3Å; R75-V78 PolarHBondContact O-N 2.93Å; R75-L79 WeakPolarHBondContact O-CG 3.24Å; R75-L79 PolarHBondContact O-N 2.71Å
76Y94.8Very high92.6Very high21 Ų2147.8 Ų47.88%0.08224%0.239CC..Hα-helixtrans-59.2-48175.4-167.9-87.8000111.9I71 S72 H73 F74 L79 Q80 F145 L149I71-Y76 HydrophobicContact CG2-CD2 4.08Å; S72-Y76 PolarHBondContact O-N 3.42Å; H73-Y76 VanDerWaalsContact O-CB 3.31Å; H73-Y76 WeakPolarHBondContact O-CB 3.37Å; H73-Y76 PolarHBondContact O-N 3.3Å; F74-Y76 VanDerWaalsContact C-N 3.28Å; F74-Y76 PolarHBondContact O-N 2.88Å; Y76-L79 PolarHBondContact O-N 3.49Å; Y76-Q80 PolarHBondContact O-N 3.38Å; Y76-F145 HydrophobicContact CD1-CD1 4.33Å; Y76-F145 HydrophobicContact CE1-CB 4.27Å; Y76-F145 AromaticContact CE1-CD1 3.64Å; Y76-F145 HydrophobicContact CE1-CD1 3.64Å; Y76-F145 HydrophobicContact CE1-CG 4.45Å; Y76-F145 WeakPolarHBondContact CE1-O 3.25Å; Y76-F145 HydrophobicContact CE2-CD1 4.3Å; Y76-F145 AromaticContact CZ-CD1 3.61Å; Y76-F145 WeakPolarHBondContact OH-CA 3.36Å; Y76-F145 PolarHBondContact OH-O 3.4Å; Y76-L149 HydrophobicContact CD1-CB 4.5Å; Y76-L149 HydrophobicContact CD1-CD1 3.54Å; Y76-L149 HydrophobicContact CD2-CD1 4.47Å; Y76-L149 HydrophobicContact CE1-CB 3.8Å; Y76-L149 HydrophobicContact CE1-CD1 3.7Å; Y76-L149 HydrophobicContact CE1-CG 4.34Å; Y76-L149 HydrophobicContact CG-CD1 3.96Å; Y76-L149 PolarHBondContact OH-N 3.4Å; Y76-L149 VanDerWaalsContact OH-N 3.08Å
77F93.2Very high92.4Very high4 Ų444.6 Ų44.62%0.01822%0.223CC..Hα-helixtrans-68-35.9178.7-59-40.8000112.8L36 H73 F74 Q80 V81 L149 T187L36-F77 HydrophobicContact CD1-CB 4.26Å; L36-F77 HydrophobicContact CD2-CB 3.48Å; L36-F77 VanDerWaalsContact CD2-CB 3.48Å; L36-F77 HydrophobicContact CD2-CD2 4.14Å; L36-F77 HydrophobicContact CD2-CG 4.23Å; L36-F77 HydrophobicContact CG-CB 4.49Å; H73-F77 HydrophobicContact CB-CE2 3.91Å; H73-F77 HydrophobicContact CB-CZ 4.24Å; H73-F77 WeakPolarHBondContact O-CD2 3.48Å; H73-F77 VanDerWaalsContact O-CG 3.26Å; H73-F77 WeakPolarHBondContact O-CG 3.41Å; H73-F77 PolarHBondContact O-N 2.75Å; F74-F77 PolarHBondContact O-N 3.39Å; F77-Q80 WeakPolarHBondContact O-CB 3.47Å; F77-Q80 PolarHBondContact O-N 2.96Å; F77-V81 WeakPolarHBondContact O-CG2 3.41Å; F77-V81 PolarHBondContact O-N 3.17Å; F77-L149 HydrophobicContact CE1-CD1 4.36Å; F77-L149 HydrophobicContact CE1-CD2 4.1Å; F77-L149 HydrophobicContact CZ-CD2 4.41Å; F77-T187 HydrophobicContact CZ-CG2 4.15Å
78V91.6Very high91.8Very high53 Ų5340.6 Ų40.632%0.32121%0.207SC..Hα-helixtrans-60-47.8172.2170.50000110.6F74 R75 Q80 V81 I82F74-V78 HydrophobicContact CD1-CG2 4.42Å; F74-V78 HydrophobicContact CE1-CG2 4.04Å; F74-V78 HydrophobicContact CE2-CG2 4.29Å; F74-V78 HydrophobicContact CZ-CG2 3.97Å; F74-V78 WeakPolarHBondContact O-CG2 3.43Å; F74-V78 PolarHBondContact O-N 3.11Å; R75-V78 PolarHBondContact O-N 2.93Å; V78-Q80 VanDerWaalsContact C-N 3.34Å; V78-Q80 PolarHBondContact O-N 3.04Å; V78-V81 PolarHBondContact O-N 3.04Å; V78-I82 HydrophobicContact CG1-CD1 3.87Å; V78-I82 WeakPolarHBondContact O-CG1 3.22Å; V78-I82 PolarHBondContact O-N 3.1Å
79L93.6Very high91.3Very high69 Ų6943.1 Ų43.136%0.36122%0.219SC..Hα-helixtrans-60.6-43.8175.5-69.9173.2000111.3I71 R75 Y76 V81 I82 F83 F145I71-L79 HydrophobicContact CD1-CD1 3.75Å; R75-L79 WeakPolarHBondContact O-CG 3.24Å; R75-L79 PolarHBondContact O-N 2.71Å; Y76-L79 PolarHBondContact O-N 3.49Å; L79-V81 VanDerWaalsContact C-N 3.34Å; L79-V81 PolarHBondContact O-N 3.18Å; L79-I82 PolarHBondContact O-N 3.23Å; L79-F83 HydrophobicContact CB-CD2 4.36Å; L79-F83 HydrophobicContact CD2-CE2 4.24Å; L79-F83 VanDerWaalsContact O-CD2 3.27Å; L79-F83 WeakPolarHBondContact O-CD2 3.46Å; L79-F83 PolarHBondContact O-N 2.62Å; L79-F145 HydrophobicContact CB-CE1 4.19Å; L79-F145 HydrophobicContact CB-CZ 4.42Å
80Q94Very high91Very high7 Ų749.2 Ų49.23%0.03325%0.245CC..Hα-helixtrans-55.2-48.5176.6-177.9-179.98.900111.5Y76 F77 V78 I82 V84 F145Y76-Q80 PolarHBondContact O-N 3.38Å; F77-Q80 WeakPolarHBondContact O-CB 3.47Å; F77-Q80 PolarHBondContact O-N 2.96Å; V78-Q80 VanDerWaalsContact C-N 3.34Å; V78-Q80 PolarHBondContact O-N 3.04Å; Q80-I82 PolarHBondContact O-N 3.01Å; Q80-V84 HydrophobicContact CG-CG2 4.23Å; Q80-V84 VanDerWaalsContact O-CB 3.23Å; Q80-V84 WeakPolarHBondContact O-CB 3.32Å; Q80-V84 WeakPolarHBondContact O-CG2 3.13Å; Q80-V84 PolarHBondContact O-N 2.97Å; Q80-F145 HydrophobicContact CB-CB 4.26Å; Q80-F145 HydrophobicContact CB-CD1 3.7Å; Q80-F145 HydrophobicContact CB-CD2 4.27Å; Q80-F145 HydrophobicContact CB-CE1 4.09Å; Q80-F145 HydrophobicContact CB-CG 3.83Å; Q80-F145 HydrophobicContact CG-CB 3.74Å; Q80-F145 HydrophobicContact CG-CD1 4.13Å; Q80-F145 HydrophobicContact CG-CD2 4.08Å; Q80-F145 HydrophobicContact CG-CG 3.73Å
81V89.9Confident90.6Very high20 Ų2045.9 Ų45.912%0.12122%0.223CC..Hα-helixtrans-60.4-45.9177.9168.20000111.4F29 R32 I33 L36 F77 V78 L79 S85F29-V81 HydrophobicContact CE2-CG1 3.74Å; F29-V81 HydrophobicContact CZ-CG1 4.11Å; R32-V81 HydrophobicContact CB-CG2 4.42Å; I33-V81 HydrophobicContact CG1-CG1 4.26Å; L36-V81 HydrophobicContact CD1-CG2 3.58Å; F77-V81 WeakPolarHBondContact O-CG2 3.41Å; F77-V81 PolarHBondContact O-N 3.17Å; V78-V81 PolarHBondContact O-N 3.04Å; L79-V81 VanDerWaalsContact C-N 3.34Å; L79-V81 PolarHBondContact O-N 3.18Å; V81-S85 VanDerWaalsContact O-CB 3.3Å; V81-S85 WeakPolarHBondContact O-CB 3.3Å; V81-S85 PolarHBondContact O-N 2.93Å; V81-S85 VanDerWaalsContact O-N 3.07Å; V81-S85 PolarHBondContact O-OG 3.43Å
82I90.2Very high89.9Confident93 Ų9345.7 Ų45.748%0.47722%0.219SC..Hα-helixtrans-61.8-52.2180-67.9166.8000111V78 L79 Q80 S85 T86V78-I82 HydrophobicContact CG1-CD1 3.87Å; V78-I82 WeakPolarHBondContact O-CG1 3.22Å; V78-I82 PolarHBondContact O-N 3.1Å; L79-I82 PolarHBondContact O-N 3.23Å; Q80-I82 PolarHBondContact O-N 3.01Å; I82-S85 PolarHBondContact O-N 3.46Å; I82-T86 PolarHBondContact O-N 2.89Å; I82-T86 VanDerWaalsContact O-N 3.11Å; I82-T86 PolarHBondContact O-OG1 3.47Å
83F94.1Very high89.4Confident100 Ų10046.5 Ų46.544%0.43923%0.229SC..Hα-helixtrans-66.6-42-176.6-83.4-75.6000112L79 S85 T86 P87 L141 F145L79-F83 HydrophobicContact CB-CD2 4.36Å; L79-F83 HydrophobicContact CD2-CE2 4.24Å; L79-F83 VanDerWaalsContact O-CD2 3.27Å; L79-F83 WeakPolarHBondContact O-CD2 3.46Å; L79-F83 PolarHBondContact O-N 2.62Å; F83-S85 VanDerWaalsContact C-N 3.31Å; F83-S85 PolarHBondContact O-N 3.35Å; F83-T86 WeakPolarHBondContact O-CB 3.46Å; F83-T86 PolarHBondContact O-N 2.94Å; F83-P87 WeakPolarHBondContact O-CD 3.44Å; F83-L141 WeakPolarHBondContact O-CD1 3.49Å; F83-F145 HydrophobicContact CB-CE2 3.61Å; F83-F145 HydrophobicContact CB-CZ 3.97Å; F83-F145 HydrophobicContact CD2-CE2 4.18Å; F83-F145 AromaticContact CD2-CZ 3.66Å; F83-F145 HydrophobicContact CD2-CZ 3.66Å; F83-F145 HydrophobicContact CE2-CZ 4.5Å; F83-F145 HydrophobicContact CG-CE2 4.11Å; F83-F145 HydrophobicContact CG-CZ 4.07Å
84V91.1Very high89Confident7 Ų751.3 Ų51.34%0.04225%0.248CC..Hα-helixtrans-68.6-30.3179.9172.90000112.1Q80 K138 L141 E142Q80-V84 HydrophobicContact CG-CG2 4.23Å; Q80-V84 VanDerWaalsContact O-CB 3.23Å; Q80-V84 WeakPolarHBondContact O-CB 3.32Å; Q80-V84 WeakPolarHBondContact O-CG2 3.13Å; Q80-V84 PolarHBondContact O-N 2.97Å; V84-K138 WeakPolarHBondContact O-CE 3.36Å; V84-L141 HydrophobicContact CG2-CB 4.28Å; V84-E142 HydrophobicContact CB-CG 4.27Å; V84-E142 HydrophobicContact CG1-CG 3.66Å; V84-E142 HydrophobicContact CG2-CG 3.51Å
85S86.8Confident88.7Confident17 Ų1749.3 Ų49.312%0.11924%0.239CC..Hα-helixtrans-75.6-30.3175.1-690000113.8F29 V81 I82 F83 S88 I89F29-S85 WeakPolarHBondContact CE2-OG 3.05Å; F29-S85 WeakPolarHBondContact CZ-OG 3.48Å; V81-S85 VanDerWaalsContact O-CB 3.3Å; V81-S85 WeakPolarHBondContact O-CB 3.3Å; V81-S85 PolarHBondContact O-N 2.93Å; V81-S85 VanDerWaalsContact O-N 3.07Å; V81-S85 PolarHBondContact O-OG 3.43Å; I82-S85 PolarHBondContact O-N 3.46Å; F83-S85 VanDerWaalsContact C-N 3.31Å; F83-S85 PolarHBondContact O-N 3.35Å; S85-S88 PolarHBondContact O-N 3.3Å; S85-S88 VanDerWaalsContact O-N 3.1Å; S85-I89 WeakPolarHBondContact O-CG1 3.23Å; S85-I89 PolarHBondContact O-N 3.29Å
86T88.5Confident88.1Confident48 Ų4843.5 Ų43.529%0.29423%0.226SC..Hα-helixtrans-53.7-50.3-173.1-65.40000112.9I82 F83 S88 I89 F90I82-T86 PolarHBondContact O-N 2.89Å; I82-T86 VanDerWaalsContact O-N 3.11Å; I82-T86 PolarHBondContact O-OG1 3.47Å; F83-T86 WeakPolarHBondContact O-CB 3.46Å; F83-T86 PolarHBondContact O-N 2.94Å; T86-S88 VanDerWaalsContact C-N 3.27Å; T86-S88 PolarHBondContact O-N 3.27Å; T86-I89 PolarHBondContact O-N 2.9Å; T86-F90 HydrophobicContact CG2-CD2 3.53Å; T86-F90 HydrophobicContact CG2-CE2 3.58Å; T86-F90 WeakPolarHBondContact O-CB 3.48Å; T86-F90 VanDerWaalsContact O-CD2 3.32Å; T86-F90 WeakPolarHBondContact O-CD2 3.35Å; T86-F90 PolarHBondContact O-N 3.18Å
87P91.3Very high87.6Confident14 Ų1447 Ų479%0.09125%0.246CC..Hα-helixtrans-57.6-36.4178.9-25.432.5000114.2F83 Y91 S134 L137 K138 L141F83-P87 WeakPolarHBondContact O-CD 3.44Å; P87-Y91 WeakPolarHBondContact O-CB 3.47Å; P87-Y91 PolarHBondContact O-N 3.36Å; P87-S134 WeakPolarHBondContact CB-O 3.11Å; P87-L137 HydrophobicContact CB-CB 4.19Å; P87-L137 HydrophobicContact CG-CB 3.9Å; P87-K138 HydrophobicContact CB-CG 3.86Å; P87-K138 HydrophobicContact CG-CG 3.94Å; P87-L141 HydrophobicContact CG-CD1 3.9Å
88S83.2Confident87.1Confident16 Ų1650 Ų5011%0.11226%0.257CS..Hα-helixtrans-72.4-44.8177.8-85.10000112.3S85 T86 F90 Y91 Y92 K138S85-S88 PolarHBondContact O-N 3.3Å; S85-S88 VanDerWaalsContact O-N 3.1Å; T86-S88 VanDerWaalsContact C-N 3.27Å; T86-S88 PolarHBondContact O-N 3.27Å; S88-F90 VanDerWaalsContact C-N 3.29Å; S88-F90 PolarHBondContact O-N 2.88Å; S88-Y91 PolarHBondContact O-N 3.41Å; S88-Y92 WeakPolarHBondContact O-CD2 3.34Å; S88-Y92 PolarHBondContact O-N 2.82Å; S88-K138 WeakPolarHBondContact OG-CE 3.49Å; S88-K138 PolarHBondContact OG-NZ 2.91Å
89I83.9Confident86.5Confident68 Ų6850.3 Ų50.335%0.34926%0.255SS..Hα-helixtrans-58.3-46.1176.5-66168.7000109.9L9 S85 T86 Y91 Y92 G93L9-I89 HydrophobicContact CD1-CG2 4.21Å; S85-I89 WeakPolarHBondContact O-CG1 3.23Å; S85-I89 PolarHBondContact O-N 3.29Å; T86-I89 PolarHBondContact O-N 2.9Å; I89-Y91 PolarHBondContact O-N 3.5Å; I89-Y92 PolarHBondContact O-N 2.87Å; I89-G93 PolarHBondContact O-N 3.46Å
90F87.7Confident86Confident153 Ų15352.5 Ų52.567%0.67126%0.263SS*.Hα-helixtrans-63.3-41176.7-90.3-96.7000112.8T86 S88 Y94T86-F90 HydrophobicContact CG2-CD2 3.53Å; T86-F90 HydrophobicContact CG2-CE2 3.58Å; T86-F90 WeakPolarHBondContact O-CB 3.48Å; T86-F90 VanDerWaalsContact O-CD2 3.32Å; T86-F90 WeakPolarHBondContact O-CD2 3.35Å; T86-F90 PolarHBondContact O-N 3.18Å; S88-F90 VanDerWaalsContact C-N 3.29Å; S88-F90 PolarHBondContact O-N 2.88Å; F90-Y94 VanDerWaalsContact O-CB 3.31Å; F90-Y94 WeakPolarHBondContact O-CB 2.83Å; F90-Y94 PolarHBondContact O-N 3.35Å
91Y84.8Confident85.5Confident8 Ų858 Ų583%0.03129%0.287CS..Hα-helixtrans-63.3-46.8176.9172.6-102.4000112P87 S88 I89 Y94 V95 A130 Y131P87-Y91 WeakPolarHBondContact O-CB 3.47Å; P87-Y91 PolarHBondContact O-N 3.36Å; S88-Y91 PolarHBondContact O-N 3.41Å; I89-Y91 PolarHBondContact O-N 3.5Å; Y91-Y94 WeakPolarHBondContact O-CB 3.07Å; Y91-Y94 PolarHBondContact O-N 3.5Å; Y91-V95 HydrophobicContact CE1-CG2 4.05Å; Y91-V95 HydrophobicContact CE2-CG2 4.06Å; Y91-V95 WeakPolarHBondContact O-CG2 3.34Å; Y91-V95 PolarHBondContact O-N 3.48Å; Y91-A130 HydrophobicContact CD2-CB 4.32Å; Y91-A130 HydrophobicContact CE2-CB 4.27Å; Y91-Y131 AromaticContact CD1-CD2 3.84Å; Y91-Y131 HydrophobicContact CD1-CD2 3.84Å; Y91-Y131 HydrophobicContact CD1-CE2 4.42Å; Y91-Y131 HydrophobicContact CD2-CD2 4.38Å; Y91-Y131 AromaticContact CE1-CD2 3.46Å; Y91-Y131 HydrophobicContact CE1-CD2 3.46Å; Y91-Y131 VanDerWaalsContact CE1-CD2 3.46Å; Y91-Y131 HydrophobicContact CE1-CE2 4.12Å; Y91-Y131 HydrophobicContact CE1-CG 4.23Å; Y91-Y131 HydrophobicContact CE2-CD2 4.05Å; Y91-Y131 HydrophobicContact CE2-CG 4.24Å; Y91-Y131 HydrophobicContact CG-CD2 4.29Å; Y91-Y131 AromaticContact CZ-CD2 3.58Å; Y91-Y131 AromaticContact CZ-CG 3.89Å
92Y79.9Confident85Confident38 Ų3862.4 Ų62.415%0.14931%0.306CS..Hα-helixtrans-68.4-40.6179.1-61-42.1000112.2G13 S88 I89 Y94 V95 A96G13-Y92 VanDerWaalsContact CA-CZ 3.46Å; G13-Y92 WeakPolarHBondContact O-CE1 3.3Å; G13-Y92 PolarHBondContact O-OH 3.48Å; S88-Y92 WeakPolarHBondContact O-CD2 3.34Å; S88-Y92 PolarHBondContact O-N 2.82Å; I89-Y92 PolarHBondContact O-N 2.87Å; Y92-Y94 VanDerWaalsContact C-N 3.28Å; Y92-Y94 PolarHBondContact O-N 2.93Å; Y92-V95 PolarHBondContact O-N 3.26Å; Y92-V95 VanDerWaalsContact O-N 3.13Å; Y92-A96 WeakPolarHBondContact O-CB 3.28Å; Y92-A96 PolarHBondContact O-N 2.95Å
93G83.4Confident84.5Confident23 Ų2364.8 Ų64.824%0.23731%0.313CS..Hα-helixtrans-58.3-40.917100000112.2I89 I97I89-G93 PolarHBondContact O-N 3.46Å; G93-I97 WeakPolarHBondContact O-CB 3.22Å; G93-I97 WeakPolarHBondContact O-CD1 3.28Å; G93-I97 WeakPolarHBondContact O-CG1 3.12Å; G93-I97 PolarHBondContact O-N 3.49Å
94Y84.2Confident83.9Confident104 Ų10465.5 Ų65.541%0.40832%0.318SS..Hα-helixtrans-62.3-42.6174.1170.6-102.8000112.7F90 Y91 Y92 R98 L127 A130F90-Y94 VanDerWaalsContact O-CB 3.31Å; F90-Y94 WeakPolarHBondContact O-CB 2.83Å; F90-Y94 PolarHBondContact O-N 3.35Å; Y91-Y94 WeakPolarHBondContact O-CB 3.07Å; Y91-Y94 PolarHBondContact O-N 3.5Å; Y92-Y94 VanDerWaalsContact C-N 3.28Å; Y92-Y94 PolarHBondContact O-N 2.93Å; Y94-R98 WeakPolarHBondContact O-CB 3.13Å; Y94-R98 PolarHBondContact O-N 2.9Å; Y94-L127 HydrophobicContact CD1-CD1 4.19Å; Y94-L127 HydrophobicContact CE1-CD1 3.71Å; Y94-A130 HydrophobicContact CE1-CB 4.36Å
95V82.7Confident83.2Confident8 Ų870.6 Ų70.65%0.04835%0.345CS..Hα-helixtrans-64.1-50.7176.81730000110.8Y16 Y91 Y92 I97 R98 E99 L127Y16-V95 HydrophobicContact CD2-CG1 4.47Å; Y16-V95 HydrophobicContact CE2-CG1 3.79Å; Y91-V95 HydrophobicContact CE1-CG2 4.05Å; Y91-V95 HydrophobicContact CE2-CG2 4.06Å; Y91-V95 WeakPolarHBondContact O-CG2 3.34Å; Y91-V95 PolarHBondContact O-N 3.48Å; Y92-V95 PolarHBondContact O-N 3.26Å; Y92-V95 VanDerWaalsContact O-N 3.13Å; V95-I97 PolarHBondContact O-N 2.96Å; V95-R98 WeakPolarHBondContact O-CB 3.45Å; V95-R98 PolarHBondContact O-N 2.9Å; V95-E99 HydrophobicContact CG1-CG 4.37Å; V95-E99 WeakPolarHBondContact O-CG 3.23Å; V95-E99 PolarHBondContact O-N 3.49Å; V95-L127 HydrophobicContact CG2-CD1 3.83Å; V95-L127 HydrophobicContact CG2-CD2 4.39Å; V95-L127 HydrophobicContact CG2-CG 4.42Å
96A81.4Confident82.4Confident42 Ų4272.5 Ų72.535%0.34736%0.358SS..Hα-helixtrans-58.7-47-178.600000112.3Y92 R98 E99 Q100Y92-A96 WeakPolarHBondContact O-CB 3.28Å; Y92-A96 PolarHBondContact O-N 2.95Å; A96-R98 VanDerWaalsContact C-N 3.25Å; A96-R98 PolarHBondContact O-N 3.29Å; A96-E99 PolarHBondContact O-N 3.21Å; A96-Q100 PolarHBondContact O-N 2.81Å
97I83.5Confident81.2Confident96 Ų9675.2 Ų75.249%0.49238%0.378SS..Hα-helixtrans-61.2-37.6176.6-68.7166.8000111.1G93 V95 K101G93-I97 WeakPolarHBondContact O-CB 3.22Å; G93-I97 WeakPolarHBondContact O-CD1 3.28Å; G93-I97 WeakPolarHBondContact O-CG1 3.12Å; G93-I97 PolarHBondContact O-N 3.49Å; V95-I97 PolarHBondContact O-N 2.96Å; I97-K101 HydrophobicContact CG2-CD 4.47Å; I97-K101 WeakPolarHBondContact O-CG 3.4Å; I97-K101 PolarHBondContact O-N 2.91Å; I97-K101 VanDerWaalsContact O-N 3.15Å
98R82.9Confident79.8Confident66 Ų6678 Ų7825%0.24941%0.41CS..Hα-helixtrans-71.8-42.3-179-157-176.778.3-168.2-5.3111.6Y94 V95 A96 Q100 K101 E102 L127Y94-R98 WeakPolarHBondContact O-CB 3.13Å; Y94-R98 PolarHBondContact O-N 2.9Å; V95-R98 WeakPolarHBondContact O-CB 3.45Å; V95-R98 PolarHBondContact O-N 2.9Å; A96-R98 VanDerWaalsContact C-N 3.25Å; A96-R98 PolarHBondContact O-N 3.29Å; R98-Q100 VanDerWaalsContact C-N 3.33Å; R98-Q100 PolarHBondContact O-N 2.6Å; R98-K101 PolarHBondContact O-N 3.21Å; R98-E102 IonicContact NE-OE1 3.42Å; R98-E102 PolarHBondContact NE-OE1 2.95Å; R98-E102 WeakPolarHBondContact O-CG 3.32Å; R98-E102 PolarHBondContact O-N 3.46Å; R98-L127 VanDerWaalsContact CZ-CD1 3.42Å
99E80.6Confident79Confident59 Ų5985.2 Ų85.228%0.27644%0.439SS..Hα-helixtrans-61.1-41.7175-72.8-175.2-175.500111.8Y16 V95 A96 K101 E102 K103Y16-E99 PolarHBondContact OH-OE1 3.15Å; V95-E99 HydrophobicContact CG1-CG 4.37Å; V95-E99 WeakPolarHBondContact O-CG 3.23Å; V95-E99 PolarHBondContact O-N 3.49Å; A96-E99 PolarHBondContact O-N 3.21Å; E99-K101 PolarHBondContact O-N 3.39Å; E99-E102 PolarHBondContact O-N 3.3Å; E99-K103 WeakPolarHBondContact O-CG 3.26Å; E99-K103 PolarHBondContact O-N 2.89Å
100Q81.4Confident77.5Confident115 Ų11585.5 Ų85.554%0.53746%0.458SS..Hα-helixtrans-60.5-46.4175.4-172.7178.3-1200111.8A96 R98 E102 K103 E104A96-Q100 PolarHBondContact O-N 2.81Å; R98-Q100 VanDerWaalsContact C-N 3.33Å; R98-Q100 PolarHBondContact O-N 2.6Å; Q100-E102 VanDerWaalsContact C-N 3.33Å; Q100-E102 PolarHBondContact O-N 2.98Å; Q100-K103 PolarHBondContact O-N 3.12Å; Q100-E104 PolarHBondContact NE2-OE1 3.21Å; Q100-E104 WeakPolarHBondContact O-CG 3.2Å; Q100-E104 PolarHBondContact O-N 3.39Å
101K83.2Confident76.1Confident124 Ų12483.4 Ų83.454%0.53945%0.453SS..Hα-helixtrans-62.6-37.2176.2-76.6179.6176.7178.90113.1I97 R98 E99 N105I97-K101 HydrophobicContact CG2-CD 4.47Å; I97-K101 WeakPolarHBondContact O-CG 3.4Å; I97-K101 PolarHBondContact O-N 2.91Å; I97-K101 VanDerWaalsContact O-N 3.15Å; R98-K101 PolarHBondContact O-N 3.21Å; E99-K101 PolarHBondContact O-N 3.39Å; K101-N105 WeakPolarHBondContact O-CB 3.27Å; K101-N105 VanDerWaalsContact O-CG 3.28Å; K101-N105 PolarHBondContact O-N 2.98Å; K101-N105 VanDerWaalsContact O-N 3.1Å; K101-N105 PolarHBondContact O-ND2 3.06Å; K101-N105 VanDerWaalsContact O-ND2 3.08Å
102E81.1Confident74.4Confident111 Ų11186.7 Ų86.752%0.51948%0.482SS..Hα-helixtrans-66.6-40.2176.2-74.6177.7-162.700111.5R98 E99 Q100 S106R98-E102 IonicContact NE-OE1 3.42Å; R98-E102 PolarHBondContact NE-OE1 2.95Å; R98-E102 WeakPolarHBondContact O-CG 3.32Å; R98-E102 PolarHBondContact O-N 3.46Å; E99-E102 PolarHBondContact O-N 3.3Å; Q100-E102 VanDerWaalsContact C-N 3.33Å; Q100-E102 PolarHBondContact O-N 2.98Å; E102-S106 PolarHBondContact O-N 3.07Å; E102-S106 VanDerWaalsContact O-N 3.12Å
103K79.7Confident72.8Confident143 Ų14390.9 Ų90.962%0.62251%0.514SS*.Hα-helixtrans-62.7-48.5174.3-71.6174.3-174.8172.30111.7E99 Q100 N105 S106 C107E99-K103 WeakPolarHBondContact O-CG 3.26Å; E99-K103 PolarHBondContact O-N 2.89Å; Q100-K103 PolarHBondContact O-N 3.12Å; K103-N105 PolarHBondContact O-N 2.65Å; K103-S106 PolarHBondContact O-N 3.21Å; K103-S106 PolarHBondContact O-OG 2.97Å; K103-C107 PolarHBondContact O-N 3.25Å; K103-C107 VanDerWaalsContact O-N 3.12Å
104E80.5Confident70.7Confident115 Ų11599 Ų9954%0.53754%0.542SS..Hα-helixtrans-57.9-46.1177.5-74.1173.1-177.300112.3Q100 S106 C107 G108Q100-E104 PolarHBondContact NE2-OE1 3.21Å; Q100-E104 WeakPolarHBondContact O-CG 3.2Å; Q100-E104 PolarHBondContact O-N 3.39Å; E104-S106 VanDerWaalsContact C-N 3.29Å; E104-S106 PolarHBondContact O-N 3.19Å; E104-C107 PolarHBondContact O-N 3.44Å; E104-G108 PolarHBondContact O-N 3.4Å; E104-G108 VanDerWaalsContact O-N 3.14Å
105N75.8Confident68.4Low115 Ų115103.5 Ų103.562%0.61556%0.564SS**Hα-helixtrans-65.1-29.8178.2-76.1-33.2000113.7K101 K103K101-N105 WeakPolarHBondContact O-CB 3.27Å; K101-N105 VanDerWaalsContact O-CG 3.28Å; K101-N105 PolarHBondContact O-N 2.98Å; K101-N105 VanDerWaalsContact O-N 3.1Å; K101-N105 PolarHBondContact O-ND2 3.06Å; K101-N105 VanDerWaalsContact O-ND2 3.08Å; K103-N105 PolarHBondContact O-N 2.65Å
106S70.9Confident66.3Low57 Ų57108 Ų10840%0.39960%0.603SS.*Hα-helixtrans-75.2-36.4177.373.30000112.4E102 K103 E104 K109E102-S106 PolarHBondContact O-N 3.07Å; E102-S106 VanDerWaalsContact O-N 3.12Å; K103-S106 PolarHBondContact O-N 3.21Å; K103-S106 PolarHBondContact O-OG 2.97Å; E104-S106 VanDerWaalsContact C-N 3.29Å; E104-S106 PolarHBondContact O-N 3.19Å; S106-K109 PolarHBondContact O-N 3.16Å
107C63Low63.8Low105 Ų105109.7 Ų109.771%0.70961%0.611SS**Hα-helixtrans-69.9-39.3178.3-157.20000111.4K103 E104 K109 G110K103-C107 PolarHBondContact O-N 3.25Å; K103-C107 VanDerWaalsContact O-N 3.12Å; E104-C107 PolarHBondContact O-N 3.44Å; C107-K109 PolarHBondContact O-N 2.79Å; C107-G110 PolarHBondContact O-N 3.38Å
108G62.5Low61.4Low73 Ų73110.8 Ų110.875%0.75363%0.628SS**THydrogen-bonded Turntrans-66.7-13.7175.800000115.4E104E104-G108 PolarHBondContact O-N 3.4Å; E104-G108 VanDerWaalsContact O-N 3.14Å
109K66.2Low59Low166 Ų166114.1 Ų114.172%0.72265%0.646SS**THydrogen-bonded Turntrans-101.14178.8-79.7-175.7176.8-179.70114.6S106 C107 I111S106-K109 PolarHBondContact O-N 3.16Å; C107-K109 PolarHBondContact O-N 2.79Å; K109-I111 HydrophobicContact CB-CD1 4.16Å; K109-I111 HydrophobicContact CB-CG1 4.22Å; K109-I111 PolarHBondContact O-N 3.15Å
110G51.4Low57Low74 Ų74114.6 Ų114.676%0.76366%0.66SS**THydrogen-bonded Turntrans63.520.2179.400000114.4C107C107-G110 PolarHBondContact O-N 3.38Å
111I58.8Low55.3Low109 Ų109111.5 Ų111.556%0.55965%0.65SS**  trans-83120.3176.2-61.6171.7000107.1K109K109-I111 HydrophobicContact CB-CD1 4.16Å; K109-I111 HydrophobicContact CB-CG1 4.22Å; K109-I111 PolarHBondContact O-N 3.15Å
112A49.6Very low53.7Low78 Ų78114.1 Ų114.165%0.64566%0.661SS**  trans-49.8141.7176.200000111K114A112-K114 PolarHBondContact O-N 2.96Å
113P45.1Very low52.5Low126 Ų126111.1 Ų111.182%0.81865%0.649SS**  trans-59.4112.4-176.724.1-32000108.5K115P113-K115 PolarHBondContact O-N 3.4Å
114K40.9Very low51.8Low192 Ų192112.4 Ų112.484%0.83565%0.654SS**  trans-59.2114.1166.2-78.4-174.1176.1-178.10105.7A112 A116A112-K114 PolarHBondContact O-N 2.96Å; K114-A116 PolarHBondContact O-N 2.92Å; K114-A116 VanDerWaalsContact O-N 3.08Å
115K36Very low51.4Low200 Ų200109.7 Ų109.787%0.8766%0.657SS**  trans-41.4121169.1-84.1-179.8173.4179.90107.5P113 S117P113-K115 PolarHBondContact O-N 3.4Å; K115-S117 VanDerWaalsContact C-N 3.26Å; K115-S117 PolarHBondContact O-N 3.06Å
116A38.7Very low51.5Low103 Ų103113.9 Ų113.985%0.85166%0.664SS**  trans-58.796.4170.800000106.9K114 S118K114-A116 PolarHBondContact O-N 2.92Å; K114-A116 VanDerWaalsContact O-N 3.08Å; A116-S118 PolarHBondContact O-N 2.69Å
117S29.1Very low51.8Low76 Ų76111.4 Ų111.453%0.53165%0.646SS.*  trans-60.3128.7160.6-176.10000105.4K115 E119K115-S117 VanDerWaalsContact C-N 3.26Å; K115-S117 PolarHBondContact O-N 3.06Å; S117-E119 PolarHBondContact O-N 3.05Å; S117-E119 PolarHBondContact OG-OE2 3.05Å
118S31.3Very low52.6Low120 Ų120108.2 Ų108.284%0.83962%0.622SS**SBendtrans-64.25316957.10000111.1A116A116-S118 PolarHBondContact O-N 2.69Å
119E33Very low53.6Low135 Ų135113.5 Ų113.563%0.63162%0.619SS**  trans-119.4113.9178.8-103.7-179.8125.300107.7S117S117-E119 PolarHBondContact O-N 3.05Å; S117-E119 PolarHBondContact OG-OE2 3.05Å
120A39.7Very low54.6Low69 Ų69107 Ų10757%0.5760%0.597SS**  trans-34.7123176.600000110.6K122A120-K122 PolarHBondContact O-N 3.08Å
121P45.7Very low56.1Low50 Ų50104.1 Ų104.133%0.32556%0.563SS.*  trans-68.5115.5-165.7-14.729.7000107.8Y16 L123Y16-P121 HydrophobicContact CE1-CB 3.48Å; Y16-P121 VanDerWaalsContact CE1-CB 3.48Å; Y16-P121 VanDerWaalsContact CE1-CD 3.47Å; Y16-P121 HydrophobicContact CE1-CG 3.51Å; Y16-P121 WeakPolarHBondContact CE1-O 3.41Å; Y16-P121 HydrophobicContact CE2-CG 4.39Å; Y16-P121 VanDerWaalsContact CZ-CG 3.42Å; Y16-P121 WeakPolarHBondContact OH-CB 3.43Å; Y16-P121 WeakPolarHBondContact OH-CG 3.21Å; P121-L123 PolarHBondContact O-N 2.79Å
122K48Very low57.5Low179 Ų179100 Ų10078%0.77855%0.545SS*.  trans-48.6109.5-172.9-70.3179.5179.6176.50108.9A120 K124A120-K122 PolarHBondContact O-N 3.08Å; K122-K124 PolarHBondContact O-N 2.98Å
123L56.3Low59.4Low48 Ų48102.1 Ų102.125%0.25154%0.54SS..  trans-6479.6-173.6-152.680.4000109.6Y16 P121 L127 L128Y16-L123 HydrophobicContact CD1-CD1 3.51Å; Y16-L123 HydrophobicContact CE1-CD1 4.29Å; Y16-L123 HydrophobicContact CG-CD1 4.13Å; P121-L123 PolarHBondContact O-N 2.79Å; L123-L127 HydrophobicContact CD1-CB 4.45Å; L123-L127 HydrophobicContact CD1-CD2 3.89Å; L123-L127 HydrophobicContact CD1-CG 4.26Å; L123-L128 HydrophobicContact CD2-CB 3.76Å; L123-L128 HydrophobicContact CD2-CD1 3.47Å; L123-L128 VanDerWaalsContact CD2-CD1 3.47Å; L123-L128 HydrophobicContact CD2-CG 4.19Å; L123-L128 HydrophobicContact CG-CB 4.05Å
124K65.1Low61.6Low171 Ų17196.5 Ų96.574%0.74350%0.504SS*.  trans-66.2142-178.8-80.9-178177.3178.60109.4K122 R126 L127 L128K122-K124 PolarHBondContact O-N 2.98Å; K124-R126 VanDerWaalsContact C-N 3.26Å; K124-R126 PolarHBondContact O-N 3.32Å; K124-L127 WeakPolarHBondContact O-CB 3.45Å; K124-L127 PolarHBondContact O-N 3.41Å; K124-L128 PolarHBondContact O-N 2.9Å
125G72.1Confident64Low57 Ų5787.5 Ų87.559%0.58847%0.465SS*.Hα-helixtrans-42.6-33.9-162.800000118.4R129G125-R129 WeakPolarHBondContact O-CB 3.47Å; G125-R129 PolarHBondContact O-N 2.88Å
126R77.3Confident66.7Low204 Ų20481.5 Ų81.577%0.7744%0.442SS*.Hα-helixtrans-65.3-38.7173.8-89.6-170.7-96.4176.8-6.7113.3K124 A130K124-R126 VanDerWaalsContact C-N 3.26Å; K124-R126 PolarHBondContact O-N 3.32Å; R126-A130 PolarHBondContact O-N 3.25Å; R126-A130 VanDerWaalsContact O-N 3.13Å
127L78.8Confident69.4Low4 Ų479.4 Ų79.42%0.02142%0.416CS..Hα-helixtrans-73.5-42178.3-153.867.8000111.2Y16 Y94 V95 R98 L123 K124 R129 A130 Y131Y16-L127 HydrophobicContact CD1-CD2 4.45Å; Y16-L127 HydrophobicContact CE1-CD2 4.1Å; Y94-L127 HydrophobicContact CD1-CD1 4.19Å; Y94-L127 HydrophobicContact CE1-CD1 3.71Å; V95-L127 HydrophobicContact CG2-CD1 3.83Å; V95-L127 HydrophobicContact CG2-CD2 4.39Å; V95-L127 HydrophobicContact CG2-CG 4.42Å; R98-L127 VanDerWaalsContact CZ-CD1 3.42Å; L123-L127 HydrophobicContact CD1-CB 4.45Å; L123-L127 HydrophobicContact CD1-CD2 3.89Å; L123-L127 HydrophobicContact CD1-CG 4.26Å; K124-L127 WeakPolarHBondContact O-CB 3.45Å; K124-L127 PolarHBondContact O-N 3.41Å; L127-R129 VanDerWaalsContact C-N 3.31Å; L127-R129 PolarHBondContact O-N 2.97Å; L127-A130 PolarHBondContact O-N 3.32Å; L127-Y131 WeakPolarHBondContact O-CB 3.33Å; L127-Y131 PolarHBondContact O-N 2.97Å
128L79.2Confident72.5Confident38 Ų3877.3 Ų77.320%0.19940%0.397CS..Hα-helixtrans-57.7-43.4172.2176.367.8000111.5L123 K124 Y131 A132 L208 A212L123-L128 HydrophobicContact CD2-CB 3.76Å; L123-L128 HydrophobicContact CD2-CD1 3.47Å; L123-L128 VanDerWaalsContact CD2-CD1 3.47Å; L123-L128 HydrophobicContact CD2-CG 4.19Å; L123-L128 HydrophobicContact CG-CB 4.05Å; K124-L128 PolarHBondContact O-N 2.9Å; L128-Y131 PolarHBondContact O-N 3.39Å; L128-A132 WeakPolarHBondContact O-CB 3.34Å; L128-A132 PolarHBondContact O-N 2.97Å; L128-L208 HydrophobicContact CD1-CD2 3.78Å; L128-A212 HydrophobicContact CD2-CB 4.47Å
129R83.4Confident75.5Confident184 Ų18472.3 Ų72.369%0.69436%0.361SS*.Hα-helixtrans-65.1-42.1177.5-168.7179.974.1170.35.3112.5G125 L127 Y131 F133G125-R129 WeakPolarHBondContact O-CB 3.47Å; G125-R129 PolarHBondContact O-N 2.88Å; L127-R129 VanDerWaalsContact C-N 3.31Å; L127-R129 PolarHBondContact O-N 2.97Å; R129-Y131 VanDerWaalsContact C-N 3.32Å; R129-F133 WeakPolarHBondContact O-CB 3.35Å; R129-F133 PolarHBondContact O-N 3.34Å
130A86.3Confident78.6Confident31 Ų3171 Ų7126%0.25636%0.359SS..Hα-helixtrans-63.9-40.3176.200000111.4Y91 Y94 R126 L127 F133 S134Y91-A130 HydrophobicContact CD2-CB 4.32Å; Y91-A130 HydrophobicContact CE2-CB 4.27Å; Y94-A130 HydrophobicContact CE1-CB 4.36Å; R126-A130 PolarHBondContact O-N 3.25Å; R126-A130 VanDerWaalsContact O-N 3.13Å; L127-A130 PolarHBondContact O-N 3.32Å; A130-F133 PolarHBondContact O-N 2.89Å; A130-S134 PolarHBondContact O-N 2.75Å
131Y84.1Confident81.3Confident12 Ų1270.3 Ų70.35%0.04735%0.345CS..Hα-helixtrans-63.8-49.6175.8-173.6-128.1000111.9S17 Y91 L127 L128 R129 F133 S134 I135 E204 L208S17-Y131 WeakPolarHBondContact CB-OH 3.28Å; S17-Y131 PolarHBondContact OG-OH 3.48Å; Y91-Y131 AromaticContact CD1-CD2 3.84Å; Y91-Y131 HydrophobicContact CD1-CD2 3.84Å; Y91-Y131 HydrophobicContact CD1-CE2 4.42Å; Y91-Y131 HydrophobicContact CD2-CD2 4.38Å; Y91-Y131 AromaticContact CE1-CD2 3.46Å; Y91-Y131 HydrophobicContact CE1-CD2 3.46Å; Y91-Y131 VanDerWaalsContact CE1-CD2 3.46Å; Y91-Y131 HydrophobicContact CE1-CE2 4.12Å; Y91-Y131 HydrophobicContact CE1-CG 4.23Å; Y91-Y131 HydrophobicContact CE2-CD2 4.05Å; Y91-Y131 HydrophobicContact CE2-CG 4.24Å; Y91-Y131 HydrophobicContact CG-CD2 4.29Å; Y91-Y131 AromaticContact CZ-CD2 3.58Å; Y91-Y131 AromaticContact CZ-CG 3.89Å; L127-Y131 WeakPolarHBondContact O-CB 3.33Å; L127-Y131 PolarHBondContact O-N 2.97Å; L128-Y131 PolarHBondContact O-N 3.39Å; R129-Y131 VanDerWaalsContact C-N 3.32Å; Y131-F133 VanDerWaalsContact C-N 3.3Å; Y131-F133 PolarHBondContact O-N 3.22Å; Y131-S134 WeakPolarHBondContact O-CB 3.28Å; Y131-S134 PolarHBondContact O-N 2.88Å; Y131-S134 PolarHBondContact O-OG 3.43Å; Y131-I135 HydrophobicContact CD1-CD1 3.93Å; Y131-I135 HydrophobicContact CD2-CD1 4.37Å; Y131-I135 HydrophobicContact CE1-CD1 3.5Å; Y131-I135 HydrophobicContact CE2-CD1 3.97Å; Y131-I135 HydrophobicContact CE2-CG1 4.19Å; Y131-I135 HydrophobicContact CG-CD1 4.34Å; Y131-I135 VanDerWaalsContact CZ-CD1 3.49Å; Y131-I135 PolarHBondContact O-N 3Å; Y131-E204 PolarHBondContact OH-OE1 3.35Å; Y131-L208 HydrophobicContact CD1-CD1 3.55Å; Y131-L208 HydrophobicContact CD1-CD2 4.42Å; Y131-L208 HydrophobicContact CE1-CD1 3.59Å; Y131-L208 HydrophobicContact CE1-CD2 4.42Å
132A87.4Confident83.7Confident22 Ų2267.9 Ų67.918%0.18233%0.329CS..Hα-helixtrans-58.5-40.8176.600000112.3L128 I135 L136 L205L128-A132 WeakPolarHBondContact O-CB 3.34Å; L128-A132 PolarHBondContact O-N 2.97Å; A132-I135 PolarHBondContact O-N 3.32Å; A132-L136 WeakPolarHBondContact O-CB 3.44Å; A132-L136 PolarHBondContact O-N 2.94Å; A132-L205 HydrophobicContact CB-CD1 4.45Å
133F90.5Very high86.1Confident124 Ų12461.3 Ų61.354%0.54431%0.308SS..Hα-helixtrans-63.8-40.5174.5-177.8-105.5000112.3R129 A130 Y131 I135 L136 L137R129-F133 WeakPolarHBondContact O-CB 3.35Å; R129-F133 PolarHBondContact O-N 3.34Å; A130-F133 PolarHBondContact O-N 2.89Å; Y131-F133 VanDerWaalsContact C-N 3.3Å; Y131-F133 PolarHBondContact O-N 3.22Å; F133-I135 PolarHBondContact O-N 3.3Å; F133-L136 PolarHBondContact O-N 2.77Å; F133-L137 HydrophobicContact CD1-CD1 3.94Å; F133-L137 HydrophobicContact CD1-CG 4.45Å; F133-L137 HydrophobicContact CE1-CD1 3.4Å; F133-L137 VanDerWaalsContact CE1-CD1 3.4Å; F133-L137 HydrophobicContact CE1-CG 4.06Å; F133-L137 HydrophobicContact CE2-CG 4.45Å; F133-L137 HydrophobicContact CZ-CD1 3.79Å; F133-L137 HydrophobicContact CZ-CD2 4.2Å; F133-L137 HydrophobicContact CZ-CG 4.05Å; F133-L137 WeakPolarHBondContact O-CG 3.4Å; F133-L137 PolarHBondContact O-N 2.8Å
134S91Very high88.1Confident7 Ų761.1 Ų61.15%0.04932%0.317CS..Hα-helixtrans-62.1-42.6175.978.20000112.1P87 A130 Y131 L137 K138P87-S134 WeakPolarHBondContact CB-O 3.11Å; A130-S134 PolarHBondContact O-N 2.75Å; Y131-S134 WeakPolarHBondContact O-CB 3.28Å; Y131-S134 PolarHBondContact O-N 2.88Å; Y131-S134 PolarHBondContact O-OG 3.43Å; S134-L137 PolarHBondContact O-N 3.39Å; S134-K138 WeakPolarHBondContact O-CG 3.13Å; S134-K138 PolarHBondContact O-N 2.97Å
135I90.4Very high89.6Confident4 Ų454.3 Ų54.32%0.02129%0.288CS..Hα-helixtrans-66.3-43.3176.9-65164.2000110.5Y131 A132 F133 L137 K138 V139 N201 E204 L205 L208Y131-I135 HydrophobicContact CD1-CD1 3.93Å; Y131-I135 HydrophobicContact CD2-CD1 4.37Å; Y131-I135 HydrophobicContact CE1-CD1 3.5Å; Y131-I135 HydrophobicContact CE2-CD1 3.97Å; Y131-I135 HydrophobicContact CE2-CG1 4.19Å; Y131-I135 HydrophobicContact CG-CD1 4.34Å; Y131-I135 VanDerWaalsContact CZ-CD1 3.49Å; Y131-I135 PolarHBondContact O-N 3Å; A132-I135 PolarHBondContact O-N 3.32Å; F133-I135 PolarHBondContact O-N 3.3Å; I135-L137 VanDerWaalsContact C-N 3.31Å; I135-L137 PolarHBondContact O-N 3.15Å; I135-K138 WeakPolarHBondContact O-CB 3.39Å; I135-K138 PolarHBondContact O-N 3.22Å; I135-K138 VanDerWaalsContact O-N 3.07Å; I135-V139 HydrophobicContact CG2-CG2 4.33Å; I135-V139 WeakPolarHBondContact O-CG2 3.31Å; I135-V139 PolarHBondContact O-N 3.47Å; I135-N201 HydrophobicContact CG2-CB 4.23Å; I135-N201 WeakPolarHBondContact CG2-O 3.12Å; I135-E204 HydrophobicContact CD1-CG 3.78Å; I135-L205 HydrophobicContact CG2-CB 3.9Å; I135-L205 HydrophobicContact CG2-CD1 4.39Å; I135-L208 HydrophobicContact CD1-CD1 3.44Å; I135-L208 VanDerWaalsContact CD1-CD1 3.44Å
136L93.6Very high90.8Very high73 Ų7353.3 Ų53.338%0.38227%0.269SS..Hα-helixtrans-56.7-46.1176.5177.465000111.4A132 F133 K138 V139 L140 L205A132-L136 WeakPolarHBondContact O-CB 3.44Å; A132-L136 PolarHBondContact O-N 2.94Å; F133-L136 PolarHBondContact O-N 2.77Å; L136-K138 VanDerWaalsContact C-N 3.32Å; L136-K138 PolarHBondContact O-N 2.9Å; L136-V139 PolarHBondContact O-N 3.18Å; L136-L140 HydrophobicContact CD1-CD1 4.46Å; L136-L140 HydrophobicContact CD1-CG 4.46Å; L136-L140 HydrophobicContact CG-CD1 4.29Å; L136-L140 WeakPolarHBondContact O-CG 3.43Å; L136-L140 PolarHBondContact O-N 3.36Å; L136-L205 HydrophobicContact CD1-CD2 4.22Å
137L95.3Very high91.8Very high60 Ų6045.6 Ų45.631%0.31425%0.248SC..Hα-helixtrans-60.7-41.1175.2-72.6176.9000112P87 F133 S134 I135 L140 L141P87-L137 HydrophobicContact CB-CB 4.19Å; P87-L137 HydrophobicContact CG-CB 3.9Å; F133-L137 HydrophobicContact CD1-CD1 3.94Å; F133-L137 HydrophobicContact CD1-CG 4.45Å; F133-L137 HydrophobicContact CE1-CD1 3.4Å; F133-L137 VanDerWaalsContact CE1-CD1 3.4Å; F133-L137 HydrophobicContact CE1-CG 4.06Å; F133-L137 HydrophobicContact CE2-CG 4.45Å; F133-L137 HydrophobicContact CZ-CD1 3.79Å; F133-L137 HydrophobicContact CZ-CD2 4.2Å; F133-L137 HydrophobicContact CZ-CG 4.05Å; F133-L137 WeakPolarHBondContact O-CG 3.4Å; F133-L137 PolarHBondContact O-N 2.8Å; S134-L137 PolarHBondContact O-N 3.39Å; I135-L137 VanDerWaalsContact C-N 3.31Å; I135-L137 PolarHBondContact O-N 3.15Å; L137-L140 PolarHBondContact O-N 3.47Å; L137-L141 WeakPolarHBondContact O-CB 3.23Å; L137-L141 WeakPolarHBondContact O-CG 3.43Å; L137-L141 PolarHBondContact O-N 3.32Å
138K93.6Very high92.6Very high31 Ų3146.6 Ų46.614%0.13526%0.26CS..Hα-helixtrans-60.9-45.6175.6-70.2179120-1700112.3V84 P87 S88 S134 I135 L136 L140 L141 E142V84-K138 WeakPolarHBondContact O-CE 3.36Å; P87-K138 HydrophobicContact CB-CG 3.86Å; P87-K138 HydrophobicContact CG-CG 3.94Å; S88-K138 WeakPolarHBondContact OG-CE 3.49Å; S88-K138 PolarHBondContact OG-NZ 2.91Å; S134-K138 WeakPolarHBondContact O-CG 3.13Å; S134-K138 PolarHBondContact O-N 2.97Å; I135-K138 WeakPolarHBondContact O-CB 3.39Å; I135-K138 PolarHBondContact O-N 3.22Å; I135-K138 VanDerWaalsContact O-N 3.07Å; L136-K138 VanDerWaalsContact C-N 3.32Å; L136-K138 PolarHBondContact O-N 2.9Å; K138-L140 PolarHBondContact O-N 3.41Å; K138-L141 PolarHBondContact O-N 3.22Å; K138-E142 WeakPolarHBondContact O-CB 3.36Å; K138-E142 PolarHBondContact O-N 3.08Å
139V95.4Very high93.4Very high15 Ų1544.8 Ų44.89%0.09125%0.251CS..Hα-helixtrans-59.1-47.8177.1168.60000110.6I135 L136 E142 A143 L198 N201 L202I135-V139 HydrophobicContact CG2-CG2 4.33Å; I135-V139 WeakPolarHBondContact O-CG2 3.31Å; I135-V139 PolarHBondContact O-N 3.47Å; L136-V139 PolarHBondContact O-N 3.18Å; V139-E142 PolarHBondContact O-N 2.88Å; V139-A143 VanDerWaalsContact O-CB 3.26Å; V139-A143 WeakPolarHBondContact O-CB 3.15Å; V139-A143 PolarHBondContact O-N 2.96Å; V139-L198 HydrophobicContact CB-CD1 4.23Å; V139-L198 HydrophobicContact CG1-CD1 3.79Å; V139-L198 HydrophobicContact CG2-CD1 4.46Å; V139-L198 WeakPolarHBondContact O-CD1 3.3Å; V139-N201 HydrophobicContact CG2-CB 3.7Å; V139-L202 HydrophobicContact CG1-CD2 3.6Å; V139-L202 HydrophobicContact CG1-CG 4.15Å; V139-L202 HydrophobicContact CG2-CD2 4.15Å; V139-L202 HydrophobicContact CG2-CG 4.27Å
140L97.6Very high94Very high109 Ų10942.2 Ų42.257%0.57124%0.241SC*.Hα-helixtrans-63.7-42.5179.1-69175.4000112.1L136 L137 K138 G144L136-L140 HydrophobicContact CD1-CD1 4.46Å; L136-L140 HydrophobicContact CD1-CG 4.46Å; L136-L140 HydrophobicContact CG-CD1 4.29Å; L136-L140 WeakPolarHBondContact O-CG 3.43Å; L136-L140 PolarHBondContact O-N 3.36Å; L137-L140 PolarHBondContact O-N 3.47Å; K138-L140 PolarHBondContact O-N 3.41Å; L140-G144 PolarHBondContact O-N 3.31Å
141L97Very high94.4Very high53 Ų5347.8 Ų47.828%0.27726%0.26SS..Hα-helixtrans-66.4-49177.3-70.7168.4000111.1F83 V84 P87 L137 K138 A143 G144 F145F83-L141 WeakPolarHBondContact O-CD1 3.49Å; V84-L141 HydrophobicContact CG2-CB 4.28Å; P87-L141 HydrophobicContact CG-CD1 3.9Å; L137-L141 WeakPolarHBondContact O-CB 3.23Å; L137-L141 WeakPolarHBondContact O-CG 3.43Å; L137-L141 PolarHBondContact O-N 3.32Å; K138-L141 PolarHBondContact O-N 3.22Å; L141-A143 PolarHBondContact O-N 3.46Å; L141-G144 PolarHBondContact O-N 2.99Å; L141-F145 VanDerWaalsContact O-CD2 3.22Å; L141-F145 WeakPolarHBondContact O-CD2 3.36Å; L141-F145 PolarHBondContact O-N 3.42Å
142E96.2Very high94.9Very high0 Ų051 Ų510%028%0.277CS..Hα-helixtrans-60.5-47.1178.2-78.6-153.9143.500112.1R32 V84 K138 V139 G144 F145 I146 S197 L198R32-E142 IonicContact CZ-OE1 2.8Å; R32-E142 VanDerWaalsContact CZ-OE1 3.26Å; R32-E142 IonicContact NH1-OE1 2.76Å; R32-E142 PolarHBondContact NH1-OE1 3.36Å; R32-E142 IonicContact NH2-OE1 2.75Å; R32-E142 PolarHBondContact NH2-OE1 2.89Å; V84-E142 HydrophobicContact CB-CG 4.27Å; V84-E142 HydrophobicContact CG1-CG 3.66Å; V84-E142 HydrophobicContact CG2-CG 3.51Å; K138-E142 WeakPolarHBondContact O-CB 3.36Å; K138-E142 PolarHBondContact O-N 3.08Å; V139-E142 PolarHBondContact O-N 2.88Å; E142-G144 VanDerWaalsContact C-N 3.29Å; E142-G144 PolarHBondContact O-N 3.25Å; E142-F145 PolarHBondContact O-N 3.11Å; E142-I146 VanDerWaalsContact O-CG1 3.28Å; E142-I146 WeakPolarHBondContact O-CG1 3.32Å; E142-I146 PolarHBondContact O-N 2.92Å; E142-S197 WeakPolarHBondContact OE1-CB 3.22Å; E142-S197 PolarHBondContact OE1-OG 3.26Å; E142-S197 VanDerWaalsContact OE2-C 3.25Å; E142-S197 VanDerWaalsContact OE2-CB 3.23Å; E142-S197 WeakPolarHBondContact OE2-CB 3.25Å; E142-S197 PolarHBondContact OE2-OG 2.97Å; E142-L198 HydrophobicContact CB-CD1 4.12Å; E142-L198 WeakPolarHBondContact OE2-CA 3.25Å; E142-L198 PolarHBondContact OE2-N 2.92Å
143A97.9Very high95.2Very high41 Ų4151.5 Ų51.534%0.33928%0.275SS..Hα-helixtrans-61.2-40.4175.500000111.7V139 L141 I146 A147 L198V139-A143 VanDerWaalsContact O-CB 3.26Å; V139-A143 WeakPolarHBondContact O-CB 3.15Å; V139-A143 PolarHBondContact O-N 2.96Å; L141-A143 PolarHBondContact O-N 3.46Å; A143-I146 PolarHBondContact O-N 3.47Å; A143-A147 WeakPolarHBondContact O-CB 3.24Å; A143-A147 PolarHBondContact O-N 3.22Å; A143-L198 HydrophobicContact CB-CD1 4.29Å; A143-L198 HydrophobicContact CB-CD2 4.31Å
144G98Very high95.3Very high43 Ų4353.1 Ų53.144%0.44329%0.289SS..Hα-helixtrans-61.9-42.8176.600000113.2L140 L141 E142 G148L140-G144 PolarHBondContact O-N 3.31Å; L141-G144 PolarHBondContact O-N 2.99Å; E142-G144 VanDerWaalsContact C-N 3.29Å; E142-G144 PolarHBondContact O-N 3.25Å; G144-G148 WeakPolarHBondContact O-CA 3.37Å; G144-G148 PolarHBondContact O-N 2.94Å
145F97.6Very high95.3Very high29 Ų2953.3 Ų53.313%0.12729%0.292CS..Hα-helixtrans-71.1-36.9176.1-82.9-79.7000112.7Y76 L79 Q80 F83 L141 E142 L149Y76-F145 HydrophobicContact CD1-CD1 4.33Å; Y76-F145 HydrophobicContact CE1-CB 4.27Å; Y76-F145 AromaticContact CE1-CD1 3.64Å; Y76-F145 HydrophobicContact CE1-CD1 3.64Å; Y76-F145 HydrophobicContact CE1-CG 4.45Å; Y76-F145 WeakPolarHBondContact CE1-O 3.25Å; Y76-F145 HydrophobicContact CE2-CD1 4.3Å; Y76-F145 AromaticContact CZ-CD1 3.61Å; Y76-F145 WeakPolarHBondContact OH-CA 3.36Å; Y76-F145 PolarHBondContact OH-O 3.4Å; L79-F145 HydrophobicContact CB-CE1 4.19Å; L79-F145 HydrophobicContact CB-CZ 4.42Å; Q80-F145 HydrophobicContact CB-CB 4.26Å; Q80-F145 HydrophobicContact CB-CD1 3.7Å; Q80-F145 HydrophobicContact CB-CD2 4.27Å; Q80-F145 HydrophobicContact CB-CE1 4.09Å; Q80-F145 HydrophobicContact CB-CG 3.83Å; Q80-F145 HydrophobicContact CG-CB 3.74Å; Q80-F145 HydrophobicContact CG-CD1 4.13Å; Q80-F145 HydrophobicContact CG-CD2 4.08Å; Q80-F145 HydrophobicContact CG-CG 3.73Å; F83-F145 HydrophobicContact CB-CE2 3.61Å; F83-F145 HydrophobicContact CB-CZ 3.97Å; F83-F145 HydrophobicContact CD2-CE2 4.18Å; F83-F145 AromaticContact CD2-CZ 3.66Å; F83-F145 HydrophobicContact CD2-CZ 3.66Å; F83-F145 HydrophobicContact CE2-CZ 4.5Å; F83-F145 HydrophobicContact CG-CE2 4.11Å; F83-F145 HydrophobicContact CG-CZ 4.07Å; L141-F145 VanDerWaalsContact O-CD2 3.22Å; L141-F145 WeakPolarHBondContact O-CD2 3.36Å; L141-F145 PolarHBondContact O-N 3.42Å; E142-F145 PolarHBondContact O-N 3.11Å; F145-L149 WeakPolarHBondContact O-CB 3.48Å; F145-L149 PolarHBondContact O-N 3.46Å
146I97Very high95.4Very high36 Ų3656 Ų5619%0.18530%0.304CS..Hα-helixtrans-63.2-50.4174.7-67.4165.3000110.1E142 A143 W150 F156 A194 L198E142-I146 VanDerWaalsContact O-CG1 3.28Å; E142-I146 WeakPolarHBondContact O-CG1 3.32Å; E142-I146 PolarHBondContact O-N 2.92Å; A143-I146 PolarHBondContact O-N 3.47Å; I146-W150 PolarHBondContact O-N 3.13Å; I146-F156 HydrophobicContact CG2-CZ 4.41Å; I146-A194 HydrophobicContact CD1-CB 3.77Å; I146-A194 HydrophobicContact CG1-CB 3.76Å; I146-L198 HydrophobicContact CD1-CD2 4.1Å
147A97.4Very high95.4Very high41 Ų4160 Ų6034%0.33932%0.319SS..Hα-helixtrans-64.8-44.517900000111.4A143 L149 W150 F151A143-A147 WeakPolarHBondContact O-CB 3.24Å; A143-A147 PolarHBondContact O-N 3.22Å; A147-L149 VanDerWaalsContact C-N 3.32Å; A147-L149 PolarHBondContact O-N 3.43Å; A147-W150 WeakPolarHBondContact O-CB 3.39Å; A147-W150 PolarHBondContact O-N 3.13Å; A147-W150 VanDerWaalsContact O-N 3.15Å; A147-F151 HydrophobicContact CB-CD2 4.41Å; A147-F151 HydrophobicContact CB-CE2 4.4Å; A147-F151 WeakPolarHBondContact O-CD2 3.11Å; A147-F151 PolarHBondContact O-N 3.26Å
148G96.6Very high95.3Very high26 Ų2658 Ų5827%0.26831%0.308SS..Hα-helixtrans-59.1-4118000000112.6G144 F151 L152G144-G148 WeakPolarHBondContact O-CA 3.37Å; G144-G148 PolarHBondContact O-N 2.94Å; G148-F151 PolarHBondContact O-N 3.08Å; G148-L152 WeakPolarHBondContact O-CB 3.4Å; G148-L152 PolarHBondContact O-N 2.87Å
149L95.9Very high95.3Very high0 Ų059.8 Ų59.80%033%0.328CS..Hα-helixtrans-62.5-46.8175.2-167.580.7000111.2Y76 F77 F145 A147 F151 L152 Y153 F156 T187 Q191Y76-L149 HydrophobicContact CD1-CB 4.5Å; Y76-L149 HydrophobicContact CD1-CD1 3.54Å; Y76-L149 HydrophobicContact CD2-CD1 4.47Å; Y76-L149 HydrophobicContact CE1-CB 3.8Å; Y76-L149 HydrophobicContact CE1-CD1 3.7Å; Y76-L149 HydrophobicContact CE1-CG 4.34Å; Y76-L149 HydrophobicContact CG-CD1 3.96Å; Y76-L149 PolarHBondContact OH-N 3.4Å; Y76-L149 VanDerWaalsContact OH-N 3.08Å; F77-L149 HydrophobicContact CE1-CD1 4.36Å; F77-L149 HydrophobicContact CE1-CD2 4.1Å; F77-L149 HydrophobicContact CZ-CD2 4.41Å; F145-L149 WeakPolarHBondContact O-CB 3.48Å; F145-L149 PolarHBondContact O-N 3.46Å; A147-L149 VanDerWaalsContact C-N 3.32Å; A147-L149 PolarHBondContact O-N 3.43Å; L149-F151 VanDerWaalsContact C-N 3.33Å; L149-F151 PolarHBondContact O-N 3.13Å; L149-L152 PolarHBondContact O-N 3.12Å; L149-Y153 HydrophobicContact CD1-CD2 3.51Å; L149-Y153 HydrophobicContact CD1-CE2 3.41Å; L149-Y153 VanDerWaalsContact CD1-CE2 3.41Å; L149-Y153 HydrophobicContact CG-CD2 3.95Å; L149-Y153 HydrophobicContact CG-CE2 4.33Å; L149-Y153 WeakPolarHBondContact O-CD2 3.43Å; L149-Y153 PolarHBondContact O-N 3.27Å; L149-Y153 VanDerWaalsContact O-N 3.12Å; L149-F156 HydrophobicContact CD2-CD1 4.03Å; L149-F156 HydrophobicContact CD2-CE1 4.34Å; L149-T187 HydrophobicContact CD2-CG2 3.83Å; L149-Q191 HydrophobicContact CD2-CG 4.02Å; L149-Q191 VanDerWaalsContact CD2-NE2 3.26Å
150W95.4Very high95.3Very high130 Ų13061.7 Ų61.749%0.49235%0.346SS..Hα-helixtrans-59-43.5179.2-176.980.6000112.3I146 A147 D154 G155 F156I146-W150 PolarHBondContact O-N 3.13Å; A147-W150 WeakPolarHBondContact O-CB 3.39Å; A147-W150 PolarHBondContact O-N 3.13Å; A147-W150 VanDerWaalsContact O-N 3.15Å; W150-D154 WeakPolarHBondContact O-CA 3.45Å; W150-D154 PolarHBondContact O-N 2.83Å; W150-D154 VanDerWaalsContact O-N 3.13Å; W150-G155 PolarHBondContact O-N 2.88Å; W150-G155 VanDerWaalsContact O-N 3.13Å; W150-F156 HydrophobicContact CB-CE1 4.11Å; W150-F156 HydrophobicContact CB-CZ 4.08Å; W150-F156 HydrophobicContact CG-CZ 4.42Å
151F95.6Very high95.2Very high147 Ų14760.6 Ų60.665%0.64534%0.336SS*.Hα-helixtrans-73.3-30.9178.3-77.9-69.1000113.8A147 G148 L149A147-F151 HydrophobicContact CB-CD2 4.41Å; A147-F151 HydrophobicContact CB-CE2 4.4Å; A147-F151 WeakPolarHBondContact O-CD2 3.11Å; A147-F151 PolarHBondContact O-N 3.26Å; G148-F151 PolarHBondContact O-N 3.08Å; L149-F151 VanDerWaalsContact C-N 3.33Å; L149-F151 PolarHBondContact O-N 3.13Å
152L94.3Very high95.1Very high80 Ų8060.6 Ų60.642%0.41933%0.334SS..Hα-helixtrans-80.1-30.8-175.8-167.666000112.7P70 I71 G148 L149P70-L152 HydrophobicContact CG-CD1 4.15Å; P70-L152 HydrophobicContact CG-CG 4.35Å; I71-L152 HydrophobicContact CG2-CD2 3.57Å; G148-L152 WeakPolarHBondContact O-CB 3.4Å; G148-L152 PolarHBondContact O-N 2.87Å; L149-L152 PolarHBondContact O-N 3.12Å
153Y93.5Very high95.1Very high32 Ų3266.1 Ų66.113%0.12536%0.36CS..THydrogen-bonded Turntrans-120.314.4-174.5-57-75.3000113.7F69 I71 H73 L149 G155F69-Y153 HydrophobicContact CD1-CE1 4.16Å; I71-Y153 WeakPolarHBondContact CG2-OH 3.48Å; I71-Y153 PolarHBondContact O-OH 2.99Å; H73-Y153 AromaticContact CE1-CD1 3.35Å; H73-Y153 WeakPolarHBondContact CE1-CD1 3.46Å; H73-Y153 AromaticContact CE1-CD2 3.78Å; H73-Y153 AromaticContact CE1-CE1 3.33Å; H73-Y153 WeakPolarHBondContact CE1-CE1 3.35Å; H73-Y153 AromaticContact CE1-CE2 3.77Å; H73-Y153 AromaticContact CE1-CG 3.55Å; H73-Y153 AromaticContact CE1-CZ 3.52Å; H73-Y153 AromaticContact ND1-CE1 3.73Å; H73-Y153 AromaticContact ND1-CZ 3.66Å; H73-Y153 AromaticContact NE2-CD1 3.94Å; H73-Y153 AromaticContact NE2-CD2 3.6Å; H73-Y153 AromaticContact NE2-CE2 3.83Å; H73-Y153 AromaticContact NE2-CG 3.63Å; L149-Y153 HydrophobicContact CD1-CD2 3.51Å; L149-Y153 HydrophobicContact CD1-CE2 3.41Å; L149-Y153 VanDerWaalsContact CD1-CE2 3.41Å; L149-Y153 HydrophobicContact CG-CD2 3.95Å; L149-Y153 HydrophobicContact CG-CE2 4.33Å; L149-Y153 WeakPolarHBondContact O-CD2 3.43Å; L149-Y153 PolarHBondContact O-N 3.27Å; L149-Y153 VanDerWaalsContact O-N 3.12Å; Y153-G155 PolarHBondContact O-N 3.22Å; Y153-G155 VanDerWaalsContact O-N 3.14Å
154D91.3Very high95.1Very high158 Ų15864.2 Ų64.285%0.84534%0.344SS*.THydrogen-bonded Turntrans53.532.2-179.6-64.7-52.5000113.8W150W150-D154 WeakPolarHBondContact O-CA 3.45Å; W150-D154 PolarHBondContact O-N 2.83Å; W150-D154 VanDerWaalsContact O-N 3.13Å
155G91.9Very high95Very high11 Ų1166.3 Ų66.311%0.11335%0.348CS..SBendtrans143.5-161.6178.900000114.6W150 Y153W150-G155 PolarHBondContact O-N 2.88Å; W150-G155 VanDerWaalsContact O-N 3.13Å; Y153-G155 PolarHBondContact O-N 3.22Å; Y153-G155 VanDerWaalsContact O-N 3.14Å
156F92.2Very high95Very high62 Ų6269.4 Ų69.427%0.27236%0.359SS..SBendtrans-112.43.7177.6-55.7-57.4000112.8I146 L149 W150 V188 Q191I146-F156 HydrophobicContact CG2-CZ 4.41Å; L149-F156 HydrophobicContact CD2-CD1 4.03Å; L149-F156 HydrophobicContact CD2-CE1 4.34Å; W150-F156 HydrophobicContact CB-CE1 4.11Å; W150-F156 HydrophobicContact CB-CZ 4.08Å; W150-F156 HydrophobicContact CG-CZ 4.42Å; F156-V188 HydrophobicContact CB-CG2 4.43Å; F156-Q191 HydrophobicContact CD1-CG 3.6Å; F156-Q191 HydrophobicContact CE1-CG 3.74Å; F156-Q191 HydrophobicContact CG-CG 4.33Å
157F94.1Very high94.9Very high157 Ų15776.3 Ų76.369%0.68939%0.388SS*.  trans-112.8127.9-176.1-67-91.6000109.3T184F157-T184 HydrophobicContact CB-CG2 4.38Å; F157-T184 HydrophobicContact CD1-CG2 3.44Å; F157-T184 VanDerWaalsContact CD1-CG2 3.44Å; F157-T184 HydrophobicContact CE1-CG2 3.98Å; F157-T184 HydrophobicContact CG-CG2 4.17Å
158I93.5Very high94.9Very high17 Ų1775.7 Ų75.79%0.08738%0.381CS..  trans-92.1113177.8-64.4165.5000107.7W44 F69 V177 P180 K183 T184W44-I158 HydrophobicContact CZ2-CD1 4.21Å; F69-I158 HydrophobicContact CE1-CG2 4.44Å; F69-I158 HydrophobicContact CZ-CG2 4.36Å; I158-V177 HydrophobicContact CG2-CG1 3.94Å; I158-P180 HydrophobicContact CG2-CB 4.33Å; I158-K183 HydrophobicContact CD1-CB 3.51Å; I158-T184 PolarHBondContact N-OG1 3.29Å
159A93.4Very high94.9Very high68 Ų6875.3 Ų75.356%0.56237%0.374SS*.  trans-67.6142.3177.300000111K161 V177A159-K161 PolarHBondContact O-N 2.93Å; A159-V177 WeakPolarHBondContact O-CG2 3.4Å
160A94.3Very high94.8Very high56 Ų5679.2 Ų79.246%0.46340%0.399SS..SBendtrans-68.5-23.7177.200000113.1F176 V177 P180A160-F176 WeakPolarHBondContact O-CA 3.39Å; A160-V177 PolarHBondContact O-N 2.92Å; A160-P180 HydrophobicContact CB-CB 4.21Å; A160-P180 HydrophobicContact CB-CG 3.68Å
161K95.5Very high94.8Very high85 Ų8579 Ų7937%0.3740%0.403SS..EExtended strand (participates in β ladder)trans-120.8132.8-176.5-172.6-165.3-178.4-162.50109.8A159 E163 D174 C175 F176A159-K161 PolarHBondContact O-N 2.93Å; K161-E163 IonicContact NZ-OE1 3.3Å; K161-E163 PolarHBondContact NZ-OE1 3.49Å; K161-D174 WeakPolarHBondContact CE-OD1 3.17Å; K161-D174 WeakPolarHBondContact CE-OD2 3.09Å; K161-D174 IonicContact NZ-OD1 2.85Å; K161-D174 PolarHBondContact NZ-OD1 3.17Å; K161-D174 IonicContact NZ-OD2 3.15Å; K161-D174 PolarHBondContact NZ-OD2 2.97Å; K161-D174 VanDerWaalsContact NZ-OD2 3.15Å; K161-C175 CarbonylContact C-O 3.6Å; K161-C175 WeakPolarHBondContact CA-O 3.34Å; K161-F176 HydrophobicContact CG-CE1 4.47Å
162F95.7Very high94.8Very high54 Ų5475.4 Ų75.424%0.23739%0.394CS..EExtended strand (participates in β ladder)trans-123127.4171.6179.3-101.7000109.9F51 K67 A68 C164 C175F51-F162 HydrophobicContact CZ-CD1 4.4Å; K67-F162 HydrophobicContact CB-CZ 4.38Å; K67-F162 HydrophobicContact CD-CZ 4.3Å; K67-F162 HydrophobicContact CG-CZ 4.14Å; A68-F162 HydrophobicContact CB-CD1 3.79Å; A68-F162 HydrophobicContact CB-CD2 3.89Å; A68-F162 HydrophobicContact CB-CE1 3.79Å; A68-F162 HydrophobicContact CB-CE2 3.9Å; A68-F162 HydrophobicContact CB-CG 3.83Å; A68-F162 HydrophobicContact CB-CZ 3.84Å; F162-C164 HydrophobicContact CD1-CB 4.04Å; F162-C164 HydrophobicContact CE1-CB 3.8Å; F162-C175 HydrophobicContact CB-CB 4.49Å; F162-C175 PolarHBondContact N-O 3.25Å; F162-C175 PolarHBondContact O-N 3.39Å
163E96.9Very high95Very high116 Ų11671.7 Ų71.754%0.54237%0.374SS..EExtended strand (participates in β ladder)trans-94.9122178.6-63.7-173.6172.700110.2K161 T172K161-E163 IonicContact NZ-OE1 3.3Å; K161-E163 PolarHBondContact NZ-OE1 3.49Å; E163-T172 HydrophobicContact CB-CG2 4.11Å
164C97.2Very high95.2Very high0 Ų072.6 Ų72.60%038%0.381CS..EExtended strand (participates in β ladder)trans-121.8131.6-171.5-1760000112.9C64 F162 T172 V173C64-C164 WeakPolarHBondContact CA-SG 3.48Å; C64-C164 HydrophobicContact CB-CB 3.66Å; C64-C164 WeakPolarHBondContact CB-SG 3.35Å; C64-C164 WeakPolarHBondContact SG-CB 3.44Å; C64-C164 CovalentContact SG-SG 2.02Å; C64-C164 PolarHBondContact SG-SG 2.89Å; F162-C164 HydrophobicContact CD1-CB 4.04Å; F162-C164 HydrophobicContact CE1-CB 3.8Å; C164-T172 WeakPolarHBondContact O-CA 2.9Å; C164-V173 HydrophobicContact CB-CG2 3.95Å; C164-V173 PolarHBondContact N-O 3.35Å; C164-V173 PolarHBondContact O-N 3.24Å
165T96.7Very high95.4Very high87 Ų8765.1 Ų65.153%0.53434%0.341SS..  trans-122.417.5179.652.70000113.2T172T165-T172 HydrophobicContact CG2-CG2 3.93Å; T165-T172 VanDerWaalsContact CG2-OG1 3.28Å; T165-T172 WeakPolarHBondContact CG2-OG1 3.46Å
166R95.8Very high95.7Very high95 Ų9569.3 Ų69.336%0.35836%0.357SS..  trans-82.9140-173.2-165.7171.7-178-176.72.1111.3V63 D66 K67 C169V63-R166 HydrophobicContact CB-CG 4.32Å; V63-R166 HydrophobicContact CG2-CB 4.24Å; V63-R166 HydrophobicContact CG2-CG 4.32Å; V63-R166 WeakPolarHBondContact O-CD 3.38Å; V63-R166 PolarHBondContact O-NH1 3.03Å; D66-R166 IonicContact OD2-CZ 3.23Å; D66-R166 IonicContact OD2-NH1 3.77Å; D66-R166 PolarHBondContact OD2-NH1 3.09Å; D66-R166 IonicContact OD2-NH2 2.88Å; D66-R166 PolarHBondContact OD2-NH2 3.36Å; K67-R166 HydrophobicContact CD-CB 4.34Å; R166-C169 WeakPolarHBondContact O-CB 3.16Å; R166-C169 PolarHBondContact O-N 3.08Å; R166-C169 PolarHBondContact O-SG 3.36Å
167F95.5Very high95.8Very high180 Ų18067 Ų6779%0.78935%0.347SS*.THydrogen-bonded Turntrans-59134.5172-179.4-91.5000110.6V63V63-F167 WeakPolarHBondContact CG2-O 3.33Å
168P96.8Very high95.8Very high29 Ų2960.2 Ų60.219%0.18832%0.319CS..THydrogen-bonded Turncis-9419.115.737.5-37.6000116.1Q57 P58Q57-P168 VanDerWaalsContact CG-O 3.3Å; Q57-P168 WeakPolarHBondContact CG-O 3.37Å; P58-P168 WeakPolarHBondContact O-CG 3.31Å
169C96.7Very high95.8Very high17 Ų1764.9 Ų64.912%0.11534%0.336CS..  trans-64.4134.4-178.5-54.10000112C60 C64 R166 H171 V173C60-C169 VanDerWaalsContact CA-SG 3.58Å; C60-C169 HydrophobicContact CB-CB 4.15Å; C60-C169 WeakPolarHBondContact CB-SG 3.28Å; C60-C169 WeakPolarHBondContact SG-CB 3.35Å; C60-C169 CovalentContact SG-SG 2.03Å; C60-C169 PolarHBondContact SG-SG 2.85Å; C64-C169 PolarHBondContact SG-SG 3.22Å; R166-C169 WeakPolarHBondContact O-CB 3.16Å; R166-C169 PolarHBondContact O-N 3.08Å; R166-C169 PolarHBondContact O-SG 3.36Å; C169-H171 PolarHBondContact O-N 3.21Å; C169-V173 HydrophobicContact CB-CG1 4.41Å; C169-V173 HydrophobicContact CB-CG2 4.35Å
170P94.6Very high95.9Very high82 Ų8262.8 Ų62.853%0.53232%0.316SS..SBendtrans-74.4-25.4-172.227.1-33.9000114.1
171H94.7Very high95.9Very high125 Ų12565.1 Ų65.158%0.57933%0.325SS*.SBendtrans-156.7-171.5177.552.5-86000108.1C169 V173C169-H171 PolarHBondContact O-N 3.21Å; H171-V173 PolarHBondContact O-N 2.53Å; H171-V173 VanDerWaalsContact O-N 3.13Å
172T96.7Very high95.7Very high73 Ų7364.1 Ų64.145%0.44832%0.322SS..  trans-63.9111.5170.9-49.80000109.8E163 C164 T165E163-T172 HydrophobicContact CB-CG2 4.11Å; C164-T172 WeakPolarHBondContact O-CA 2.9Å; T165-T172 HydrophobicContact CG2-CG2 3.93Å; T165-T172 VanDerWaalsContact CG2-OG1 3.28Å; T165-T172 WeakPolarHBondContact CG2-OG1 3.46Å
173V97.4Very high95.7Very high2 Ų261.8 Ų61.81%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-101.9144.3177-60.50000110.3C53 T55 C164 C169 H171C53-V173 HydrophobicContact CB-CG2 4.47Å; T55-V173 HydrophobicContact CG2-CG1 4.42Å; C164-V173 HydrophobicContact CB-CG2 3.95Å; C164-V173 PolarHBondContact N-O 3.35Å; C164-V173 PolarHBondContact O-N 3.24Å; C169-V173 HydrophobicContact CB-CG1 4.41Å; C169-V173 HydrophobicContact CB-CG2 4.35Å; H171-V173 PolarHBondContact O-N 2.53Å; H171-V173 VanDerWaalsContact O-N 3.13Å
174D97.5Very high95.5Very high51 Ų5157 Ų5727%0.27329%0.291SS..EExtended strand (participates in β ladder)trans-88.1122.7173.4-67.9-19.8000109.3C53 N54 K161 F176C53-D174 CarbonylContact C-O 3.53Å; C53-D174 WeakPolarHBondContact CA-O 3.21Å; N54-D174 PolarHBondContact N-O 2.64Å; K161-D174 WeakPolarHBondContact CE-OD1 3.17Å; K161-D174 WeakPolarHBondContact CE-OD2 3.09Å; K161-D174 IonicContact NZ-OD1 2.85Å; K161-D174 PolarHBondContact NZ-OD1 3.17Å; K161-D174 IonicContact NZ-OD2 3.15Å; K161-D174 PolarHBondContact NZ-OD2 2.97Å; K161-D174 VanDerWaalsContact NZ-OD2 3.15Å; D174-F176 HydrophobicContact CB-CE2 4.31Å; D174-F176 HydrophobicContact CB-CZ 4.29Å
175C97.3Very high95.4Very high0 Ų062.5 Ų62.50%032%0.319CS..EExtended strand (participates in β ladder)trans-113.3143.3174.5-55.80000110.8F51 V52 C53 K161 F162F51-C175 HydrophobicContact CE1-CB 3.7Å; F51-C175 HydrophobicContact CE2-CB 4.01Å; F51-C175 HydrophobicContact CZ-CB 3.35Å; V52-C175 CarbonylContact O-C 3.57Å; V52-C175 WeakPolarHBondContact O-CA 3.26Å; C53-C175 HydrophobicContact CB-CB 4.08Å; C53-C175 WeakPolarHBondContact CB-SG 3.17Å; C53-C175 WeakPolarHBondContact SG-CB 3.43Å; C53-C175 CovalentContact SG-SG 2.04Å; C53-C175 PolarHBondContact SG-SG 3.44Å; K161-C175 CarbonylContact C-O 3.6Å; K161-C175 WeakPolarHBondContact CA-O 3.34Å; F162-C175 HydrophobicContact CB-CB 4.49Å; F162-C175 PolarHBondContact N-O 3.25Å; F162-C175 PolarHBondContact O-N 3.39Å
176F96.8Very high95.1Very high100 Ų10060.1 Ų60.144%0.43930%0.301SS..EExtended strand (participates in β ladder)trans-115.2130.8-175.2-60.4-83.2000110.2V52 A160 K161 D174V52-F176 PolarHBondContact N-O 3.18Å; V52-F176 PolarHBondContact O-N 3.49Å; A160-F176 WeakPolarHBondContact O-CA 3.39Å; K161-F176 HydrophobicContact CG-CE1 4.47Å; D174-F176 HydrophobicContact CB-CE2 4.31Å; D174-F176 HydrophobicContact CB-CZ 4.29Å
177V95.1Very high95Very high13 Ų1355.6 Ų55.68%0.07928%0.284CS..  trans-88.9134.9-178.1-176.60000109.5F51 F69 I158 A159 A160 P180F51-V177 HydrophobicContact CD2-CG2 4.35Å; F51-V177 HydrophobicContact CE2-CG2 4.08Å; F69-V177 HydrophobicContact CE2-CG1 4.18Å; F69-V177 HydrophobicContact CE2-CG2 3.95Å; F69-V177 HydrophobicContact CZ-CB 4.48Å; F69-V177 HydrophobicContact CZ-CG1 3.81Å; F69-V177 HydrophobicContact CZ-CG2 3.76Å; I158-V177 HydrophobicContact CG2-CG1 3.94Å; A159-V177 WeakPolarHBondContact O-CG2 3.4Å; A160-V177 PolarHBondContact O-N 2.92Å; V177-P180 WeakPolarHBondContact O-CD 3.38Å
178S93.9Very high95Very high14 Ų1449.6 Ų49.610%0.09826%0.262CS..SBendtrans-68.8132.6173.1-1760000111.7D50 K183D50-S178 VanDerWaalsContact CB-CB 3.49Å; S178-K183 WeakPolarHBondContact O-CD 3.39Å; S178-K183 VanDerWaalsContact O-CE 3.32Å; S178-K183 WeakPolarHBondContact O-CE 3.3Å; S178-K183 PolarHBondContact O-NZ 3.33Å
179R93.7Very high94.7Very high115 Ų11551.1 Ų51.143%0.43426%0.264SS..SBendtrans47.753.1174.4-53.3165.3-166.8-120.410.1114.3D46 T181 E182 K183D46-R179 IonicContact OD2-CZ 3.56Å; D46-R179 IonicContact OD2-NE 3.33Å; D46-R179 PolarHBondContact OD2-NE 3.47Å; D46-R179 IonicContact OD2-NH2 2.97Å; D46-R179 PolarHBondContact OD2-NH2 2.99Å; R179-T181 VanDerWaalsContact C-N 3.3Å; R179-T181 PolarHBondContact O-N 3.01Å; R179-E182 HydrophobicContact CB-CB 4.09Å; R179-E182 WeakPolarHBondContact CD-OE2 3.29Å; R179-E182 IonicContact NH1-OE2 3.71Å; R179-E182 PolarHBondContact O-N 3.09Å; R179-K183 WeakPolarHBondContact O-CG 3.4Å; R179-K183 PolarHBondContact O-N 3.48Å
180P94.7Very high94.5Very high24 Ų2451.1 Ų51.116%0.15626%0.264CS..Hα-helixtrans-64.4-34.1-171.627.1-33.9000112.6I158 A160 V177 T184I158-P180 HydrophobicContact CG2-CB 4.33Å; A160-P180 HydrophobicContact CB-CB 4.21Å; A160-P180 HydrophobicContact CB-CG 3.68Å; V177-P180 WeakPolarHBondContact O-CD 3.38Å; P180-T184 VanDerWaalsContact O-CB 3.23Å; P180-T184 WeakPolarHBondContact O-CB 3.27Å; P180-T184 PolarHBondContact O-N 3.46Å; P180-T184 PolarHBondContact O-OG1 3.47Å
181T94.3Very high94.4Very high106 Ų10648 Ų4865%0.6524%0.243SC*.Hα-helixtrans-69.3-46.1177.948.10000112.2R179 T184 I185R179-T181 VanDerWaalsContact C-N 3.3Å; R179-T181 PolarHBondContact O-N 3.01Å; T181-T184 WeakPolarHBondContact O-CB 3.13Å; T181-T184 PolarHBondContact O-N 3.07Å; T181-I185 VanDerWaalsContact O-CG1 3.32Å; T181-I185 WeakPolarHBondContact O-CG1 3.44Å; T181-I185 PolarHBondContact O-N 3.16Å
182E92.8Very high94.4Very high63 Ų6346 Ų4629%0.29424%0.239SC..Hα-helixtrans-60.8-48.9176.3-177.4174.6-178.400111A43 R179 T184 I185 F186A43-E182 HydrophobicContact CB-CG 4.27Å; R179-E182 HydrophobicContact CB-CB 4.09Å; R179-E182 WeakPolarHBondContact CD-OE2 3.29Å; R179-E182 IonicContact NH1-OE2 3.71Å; R179-E182 PolarHBondContact O-N 3.09Å; E182-T184 VanDerWaalsContact C-N 3.29Å; E182-T184 PolarHBondContact O-N 2.76Å; E182-I185 PolarHBondContact O-N 3.38Å; E182-I185 VanDerWaalsContact O-N 3.14Å; E182-F186 HydrophobicContact CG-CD2 4.01Å; E182-F186 HydrophobicContact CG-CE2 3.55Å; E182-F186 VanDerWaalsContact O-CD2 3.25Å; E182-F186 WeakPolarHBondContact O-CD2 2.93Å; E182-F186 PolarHBondContact O-N 3.26Å; E182-F186 VanDerWaalsContact O-N 3.09Å
183K93.9Very high94.2Very high5 Ų542.9 Ų42.92%0.02222%0.22CC..Hα-helixtrans-61.3-37.4176.4-68.4179.4175.8162.80112.5A43 W44 I158 S178 R179 T187A43-K183 WeakPolarHBondContact O-CE 3.28Å; W44-K183 HydrophobicContact CD2-CD 4.29Å; W44-K183 HydrophobicContact CD2-CG 4.03Å; W44-K183 HydrophobicContact CE3-CG 4.18Å; W44-K183 VanDerWaalsContact CH2-CA 3.48Å; W44-K183 HydrophobicContact CH2-CB 3.7Å; W44-K183 HydrophobicContact CH2-CG 3.89Å; W44-K183 WeakPolarHBondContact CH2-O 3.41Å; W44-K183 HydrophobicContact CZ2-CB 3.5Å; W44-K183 VanDerWaalsContact CZ2-CB 3.5Å; W44-K183 HydrophobicContact CZ2-CD 4.15Å; W44-K183 HydrophobicContact CZ2-CG 3.64Å; W44-K183 HydrophobicContact CZ3-CB 4.37Å; W44-K183 HydrophobicContact CZ3-CG 4.13Å; I158-K183 HydrophobicContact CD1-CB 3.51Å; S178-K183 WeakPolarHBondContact O-CD 3.39Å; S178-K183 VanDerWaalsContact O-CE 3.32Å; S178-K183 WeakPolarHBondContact O-CE 3.3Å; S178-K183 PolarHBondContact O-NZ 3.33Å; R179-K183 WeakPolarHBondContact O-CG 3.4Å; R179-K183 PolarHBondContact O-N 3.48Å; K183-T187 WeakPolarHBondContact O-CB 3.4Å; K183-T187 PolarHBondContact O-N 3.41Å; K183-T187 PolarHBondContact O-OG1 3.45Å
184T94.4Very high94Very high17 Ų1742.8 Ų42.810%0.10422%0.219CC..Hα-helixtrans-63.7-45.1174.2-66.80000111.6F157 I158 P180 T181 E182 F186 T187 V188F157-T184 HydrophobicContact CB-CG2 4.38Å; F157-T184 HydrophobicContact CD1-CG2 3.44Å; F157-T184 VanDerWaalsContact CD1-CG2 3.44Å; F157-T184 HydrophobicContact CE1-CG2 3.98Å; F157-T184 HydrophobicContact CG-CG2 4.17Å; I158-T184 PolarHBondContact N-OG1 3.29Å; P180-T184 VanDerWaalsContact O-CB 3.23Å; P180-T184 WeakPolarHBondContact O-CB 3.27Å; P180-T184 PolarHBondContact O-N 3.46Å; P180-T184 PolarHBondContact O-OG1 3.47Å; T181-T184 WeakPolarHBondContact O-CB 3.13Å; T181-T184 PolarHBondContact O-N 3.07Å; E182-T184 VanDerWaalsContact C-N 3.29Å; E182-T184 PolarHBondContact O-N 2.76Å; T184-F186 VanDerWaalsContact C-N 3.35Å; T184-F186 PolarHBondContact O-N 3Å; T184-T187 PolarHBondContact O-N 2.92Å; T184-V188 HydrophobicContact CG2-CG2 4.24Å; T184-V188 WeakPolarHBondContact O-CG2 3.08Å; T184-V188 PolarHBondContact O-N 3.5Å
185I93.7Very high93.9Very high114 Ų11441.9 Ų41.959%0.58522%0.222SC*.Hα-helixtrans-58.8-48.2178.5-70.1163.7000110.3T181 E182 T187 V188 Y189T181-I185 VanDerWaalsContact O-CG1 3.32Å; T181-I185 WeakPolarHBondContact O-CG1 3.44Å; T181-I185 PolarHBondContact O-N 3.16Å; E182-I185 PolarHBondContact O-N 3.38Å; E182-I185 VanDerWaalsContact O-N 3.14Å; I185-T187 VanDerWaalsContact C-N 3.32Å; I185-T187 PolarHBondContact O-N 3.2Å; I185-V188 PolarHBondContact O-N 3.21Å; I185-Y189 VanDerWaalsContact O-CB 3.23Å; I185-Y189 WeakPolarHBondContact O-CB 3.02Å; I185-Y189 PolarHBondContact O-N 2.99Å
186F92.1Very high93.7Very high38 Ų3845.4 Ų45.417%0.16724%0.24CC..Hα-helixtrans-63.4-38.2177.2-72.3-54.9000112.8V35 A39 A43 W44 E182 T184 S190V35-F186 HydrophobicContact CG1-CD1 4.12Å; V35-F186 HydrophobicContact CG1-CE1 4.37Å; A39-F186 HydrophobicContact CB-CD1 4.41Å; A39-F186 HydrophobicContact CB-CE1 3.46Å; A39-F186 VanDerWaalsContact CB-CE1 3.46Å; A39-F186 HydrophobicContact CB-CE2 4.45Å; A39-F186 HydrophobicContact CB-CZ 3.5Å; A39-F186 VanDerWaalsContact CB-CZ 3.5Å; A43-F186 HydrophobicContact CB-CD2 4.04Å; A43-F186 HydrophobicContact CB-CE2 3.82Å; W44-F186 HydrophobicContact CH2-CB 3.75Å; W44-F186 HydrophobicContact CH2-CD2 4.43Å; W44-F186 HydrophobicContact CZ3-CB 3.73Å; W44-F186 AromaticContact CZ3-CD2 3.77Å; W44-F186 HydrophobicContact CZ3-CD2 3.77Å; W44-F186 HydrophobicContact CZ3-CG 4.09Å; E182-F186 HydrophobicContact CG-CD2 4.01Å; E182-F186 HydrophobicContact CG-CE2 3.55Å; E182-F186 VanDerWaalsContact O-CD2 3.25Å; E182-F186 WeakPolarHBondContact O-CD2 2.93Å; E182-F186 PolarHBondContact O-N 3.26Å; E182-F186 VanDerWaalsContact O-N 3.09Å; T184-F186 VanDerWaalsContact C-N 3.35Å; T184-F186 PolarHBondContact O-N 3Å; F186-S190 VanDerWaalsContact O-CB 3.31Å; F186-S190 WeakPolarHBondContact O-CB 3.33Å; F186-S190 PolarHBondContact O-N 3.02Å; F186-S190 PolarHBondContact O-OG 2.9Å
187T93.3Very high93.4Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-63.1-52.7176.4-62.20000110.9F77 L149 K183 T184 I185 Y189 S190 Q191F77-T187 HydrophobicContact CZ-CG2 4.15Å; L149-T187 HydrophobicContact CD2-CG2 3.83Å; K183-T187 WeakPolarHBondContact O-CB 3.4Å; K183-T187 PolarHBondContact O-N 3.41Å; K183-T187 PolarHBondContact O-OG1 3.45Å; T184-T187 PolarHBondContact O-N 2.92Å; I185-T187 VanDerWaalsContact C-N 3.32Å; I185-T187 PolarHBondContact O-N 3.2Å; T187-Y189 PolarHBondContact O-N 3.47Å; T187-S190 PolarHBondContact O-N 3.03Å; T187-Q191 WeakPolarHBondContact O-CG 3.44Å; T187-Q191 PolarHBondContact O-N 2.89Å
188V94.2Very high93.4Very high53 Ų5342 Ų4232%0.32123%0.226SC..Hα-helixtrans-59.6-47.3178.5171.20000111.1F156 T184 I185 S190 Q191 V192F156-V188 HydrophobicContact CB-CG2 4.43Å; T184-V188 HydrophobicContact CG2-CG2 4.24Å; T184-V188 WeakPolarHBondContact O-CG2 3.08Å; T184-V188 PolarHBondContact O-N 3.5Å; I185-V188 PolarHBondContact O-N 3.21Å; V188-S190 VanDerWaalsContact C-N 3.31Å; V188-S190 PolarHBondContact O-N 2.98Å; V188-Q191 PolarHBondContact O-N 3.44Å; V188-V192 HydrophobicContact CG1-CG2 4.42Å; V188-V192 WeakPolarHBondContact O-CG2 3.37Å; V188-V192 PolarHBondContact O-N 3.35Å
189Y91.8Very high93.4Very high62 Ų6246.2 Ų46.224%0.24325%0.247CC..Hα-helixtrans-57.8-44.1177.2163.8-87.9000111.9F31 V35 I185 T187 Q191 V192 I193F31-Y189 HydrophobicContact CD1-CE2 4.41Å; F31-Y189 AromaticContact CD1-CZ 3.94Å; F31-Y189 WeakPolarHBondContact CD1-OH 3.36Å; F31-Y189 AromaticContact CE1-CE2 3.58Å; F31-Y189 HydrophobicContact CE1-CE2 3.58Å; F31-Y189 AromaticContact CE1-CZ 3.48Å; F31-Y189 VanDerWaalsContact CE1-CZ 3.48Å; F31-Y189 WeakPolarHBondContact CE1-OH 3.08Å; F31-Y189 WeakPolarHBondContact CE2-OH 3.33Å; F31-Y189 WeakPolarHBondContact CG-OH 3.1Å; F31-Y189 AromaticContact CZ-CE2 3.88Å; F31-Y189 HydrophobicContact CZ-CE2 3.88Å; F31-Y189 AromaticContact CZ-CZ 3.76Å; F31-Y189 WeakPolarHBondContact CZ-OH 3.36Å; V35-Y189 HydrophobicContact CB-CE1 3.92Å; V35-Y189 HydrophobicContact CG1-CD1 4.18Å; V35-Y189 HydrophobicContact CG1-CE1 3.67Å; V35-Y189 HydrophobicContact CG2-CE1 3.74Å; V35-Y189 WeakPolarHBondContact CG2-OH 3.37Å; I185-Y189 VanDerWaalsContact O-CB 3.23Å; I185-Y189 WeakPolarHBondContact O-CB 3.02Å; I185-Y189 PolarHBondContact O-N 2.99Å; T187-Y189 PolarHBondContact O-N 3.47Å; Y189-Q191 VanDerWaalsContact C-N 3.33Å; Y189-Q191 PolarHBondContact O-N 2.93Å; Y189-V192 PolarHBondContact O-N 3.35Å; Y189-I193 HydrophobicContact CD1-CD1 4.21Å; Y189-I193 HydrophobicContact CD2-CD1 4.31Å; Y189-I193 HydrophobicContact CE1-CD1 3.47Å; Y189-I193 VanDerWaalsContact CE1-CD1 3.47Å; Y189-I193 HydrophobicContact CE2-CD1 3.62Å; Y189-I193 HydrophobicContact CE2-CG1 4.45Å; Y189-I193 PolarHBondContact O-N 2.65Å; Y189-I193 VanDerWaalsContact O-N 3.09Å; Y189-I193 WeakPolarHBondContact OH-CD1 2.89Å
190S91.1Very high93.2Very high17 Ų1742.4 Ų42.412%0.11924%0.235CC..Hα-helixtrans-63.5-39.6177.5-600000111.7F186 T187 V188 I193 A194F186-S190 VanDerWaalsContact O-CB 3.31Å; F186-S190 WeakPolarHBondContact O-CB 3.33Å; F186-S190 PolarHBondContact O-N 3.02Å; F186-S190 PolarHBondContact O-OG 2.9Å; T187-S190 PolarHBondContact O-N 3.03Å; V188-S190 VanDerWaalsContact C-N 3.31Å; V188-S190 PolarHBondContact O-N 2.98Å; S190-I193 PolarHBondContact O-N 3.5Å; S190-A194 WeakPolarHBondContact O-CB 3.32Å; S190-A194 PolarHBondContact O-N 3.43Å
191Q93.7Very high93Very high17 Ų1741.4 Ų41.48%0.07923%0.229CC..Hα-helixtrans-68.1-36.7175.6-66.2-53.6-57.300113L149 F156 T187 V188 Y189 A194 G195L149-Q191 HydrophobicContact CD2-CG 4.02Å; L149-Q191 VanDerWaalsContact CD2-NE2 3.26Å; F156-Q191 HydrophobicContact CD1-CG 3.6Å; F156-Q191 HydrophobicContact CE1-CG 3.74Å; F156-Q191 HydrophobicContact CG-CG 4.33Å; T187-Q191 WeakPolarHBondContact O-CG 3.44Å; T187-Q191 PolarHBondContact O-N 2.89Å; V188-Q191 PolarHBondContact O-N 3.44Å; Y189-Q191 VanDerWaalsContact C-N 3.33Å; Y189-Q191 PolarHBondContact O-N 2.93Å; Q191-A194 WeakPolarHBondContact O-CB 3.04Å; Q191-A194 PolarHBondContact O-N 2.99Å; Q191-G195 PolarHBondContact O-N 3.35Å
192V94.9Very high92.9Very high82 Ų8239.4 Ų39.450%0.49721%0.214SC..Hα-helixtrans-62.3-46.6174.8169.10000110.5V188 Y189 A194 G195 I196V188-V192 HydrophobicContact CG1-CG2 4.42Å; V188-V192 WeakPolarHBondContact O-CG2 3.37Å; V188-V192 PolarHBondContact O-N 3.35Å; Y189-V192 PolarHBondContact O-N 3.35Å; V192-A194 VanDerWaalsContact C-N 3.32Å; V192-A194 PolarHBondContact O-N 3.49Å; V192-G195 PolarHBondContact O-N 2.9Å; V192-I196 HydrophobicContact CG1-CD1 3.95Å; V192-I196 WeakPolarHBondContact O-CG1 3.22Å; V192-I196 PolarHBondContact O-N 2.02Å
193I92.1Very high92.8Very high8 Ų841 Ų414%0.04122%0.223CC..Hα-helixtrans-66.6-36.1176.8-63.6176.5000111.3L28 F31 R32 Y189 S190 S197L28-I193 HydrophobicContact CB-CG2 4.09Å; L28-I193 HydrophobicContact CD2-CG2 4.07Å; F31-I193 HydrophobicContact CD1-CD1 3.59Å; F31-I193 HydrophobicContact CE1-CD1 3.95Å; R32-I193 HydrophobicContact CG-CG2 3.82Å; R32-I193 PolarHBondContact NH2-O 2.81Å; Y189-I193 HydrophobicContact CD1-CD1 4.21Å; Y189-I193 HydrophobicContact CD2-CD1 4.31Å; Y189-I193 HydrophobicContact CE1-CD1 3.47Å; Y189-I193 VanDerWaalsContact CE1-CD1 3.47Å; Y189-I193 HydrophobicContact CE2-CD1 3.62Å; Y189-I193 HydrophobicContact CE2-CG1 4.45Å; Y189-I193 PolarHBondContact O-N 2.65Å; Y189-I193 VanDerWaalsContact O-N 3.09Å; Y189-I193 WeakPolarHBondContact OH-CD1 2.89Å; S190-I193 PolarHBondContact O-N 3.5Å; I193-S197 WeakPolarHBondContact O-CB 3.39Å; I193-S197 PolarHBondContact O-N 3.14Å
194A93.3Very high92.5Very high0 Ų041.2 Ų41.20%022%0.224CC..Hα-helixtrans-57.5-48.3170.300000111.9I146 S190 Q191 V192 S197 L198I146-A194 HydrophobicContact CD1-CB 3.77Å; I146-A194 HydrophobicContact CG1-CB 3.76Å; S190-A194 WeakPolarHBondContact O-CB 3.32Å; S190-A194 PolarHBondContact O-N 3.43Å; Q191-A194 WeakPolarHBondContact O-CB 3.04Å; Q191-A194 PolarHBondContact O-N 2.99Å; V192-A194 VanDerWaalsContact C-N 3.32Å; V192-A194 PolarHBondContact O-N 3.49Å; A194-S197 PolarHBondContact O-N 3.13Å; A194-L198 WeakPolarHBondContact O-CB 2.65Å; A194-L198 PolarHBondContact O-N 2.03Å
195G95.1Very high92.2Very high32 Ų3241.4 Ų41.433%0.3323%0.225SC..Hα-helixtrans-62.8-43.5177.500000113.6Q191 V192 L198 L199Q191-G195 PolarHBondContact O-N 3.35Å; V192-G195 PolarHBondContact O-N 2.9Å; G195-L198 PolarHBondContact O-N 3.15Å; G195-L199 WeakPolarHBondContact O-CB 2.88Å; G195-L199 PolarHBondContact O-N 3.33Å
196I93.3Very high92Very high73 Ų7340.6 Ų40.637%0.37422%0.22SC..Hα-helixtrans-63.7-45.8177.5-65167.6000110.5L28 V192 L198 L199 L200L28-I196 HydrophobicContact CD1-CB 4.41Å; L28-I196 HydrophobicContact CD1-CG2 3.72Å; V192-I196 HydrophobicContact CG1-CD1 3.95Å; V192-I196 WeakPolarHBondContact O-CG1 3.22Å; V192-I196 PolarHBondContact O-N 2.02Å; I196-L198 VanDerWaalsContact C-N 3.34Å; I196-L198 PolarHBondContact O-N 3.17Å; I196-L199 PolarHBondContact O-N 2.04Å; I196-L200 HydrophobicContact CG2-CD1 4.14Å; I196-L200 HydrophobicContact CG2-CG 4.49Å; I196-L200 WeakPolarHBondContact O-CG 3.41Å; I196-L200 PolarHBondContact O-N 2.95Å
197S91.1Very high91.7Very high9 Ų942.9 Ų42.96%0.06323%0.231CC..Hα-helixtrans-61.6-42.3176.41730000111.9E142 I193 A194 L199 L200 N201E142-S197 WeakPolarHBondContact OE1-CB 3.22Å; E142-S197 PolarHBondContact OE1-OG 3.26Å; E142-S197 VanDerWaalsContact OE2-C 3.25Å; E142-S197 VanDerWaalsContact OE2-CB 3.23Å; E142-S197 WeakPolarHBondContact OE2-CB 3.25Å; E142-S197 PolarHBondContact OE2-OG 2.97Å; I193-S197 WeakPolarHBondContact O-CB 3.39Å; I193-S197 PolarHBondContact O-N 3.14Å; A194-S197 PolarHBondContact O-N 3.13Å; S197-L199 VanDerWaalsContact C-N 3.32Å; S197-L199 PolarHBondContact O-N 2.77Å; S197-L200 PolarHBondContact O-N 3.2Å; S197-N201 WeakPolarHBondContact O-CB 2.9Å; S197-N201 PolarHBondContact O-N 3.44Å; S197-N201 PolarHBondContact O-ND2 3.21Å; S197-N201 PolarHBondContact OG-ND2 2.94Å
198L94.2Very high91.3Very high33 Ų3343.6 Ų43.617%0.17324%0.235CC..Hα-helixtrans-60.1-45.8177.6179.765.5000110.5V139 E142 A143 I146 A194 G195 I196 N201 L202V139-L198 HydrophobicContact CB-CD1 4.23Å; V139-L198 HydrophobicContact CG1-CD1 3.79Å; V139-L198 HydrophobicContact CG2-CD1 4.46Å; V139-L198 WeakPolarHBondContact O-CD1 3.3Å; E142-L198 HydrophobicContact CB-CD1 4.12Å; E142-L198 WeakPolarHBondContact OE2-CA 3.25Å; E142-L198 PolarHBondContact OE2-N 2.92Å; A143-L198 HydrophobicContact CB-CD1 4.29Å; A143-L198 HydrophobicContact CB-CD2 4.31Å; I146-L198 HydrophobicContact CD1-CD2 4.1Å; A194-L198 WeakPolarHBondContact O-CB 2.65Å; A194-L198 PolarHBondContact O-N 2.03Å; G195-L198 PolarHBondContact O-N 3.15Å; I196-L198 VanDerWaalsContact C-N 3.34Å; I196-L198 PolarHBondContact O-N 3.17Å; L198-N201 PolarHBondContact O-N 3.39Å; L198-L202 HydrophobicContact CD1-CD1 4.49Å; L198-L202 HydrophobicContact CG-CD1 4.16Å; L198-L202 WeakPolarHBondContact O-CB 3.37Å; L198-L202 VanDerWaalsContact O-CG 3.27Å; L198-L202 WeakPolarHBondContact O-CG 3.17Å; L198-L202 PolarHBondContact O-N 3.45Å
199L93.3Very high90.8Very high103 Ų10345 Ų4554%0.53924%0.24SC..Hα-helixtrans-59.9-47176.4-173.678.8000111.6G195 I196 S197 L202 I203G195-L199 WeakPolarHBondContact O-CB 2.88Å; G195-L199 PolarHBondContact O-N 3.33Å; I196-L199 PolarHBondContact O-N 2.04Å; S197-L199 VanDerWaalsContact C-N 3.32Å; S197-L199 PolarHBondContact O-N 2.77Å; L199-L202 PolarHBondContact O-N 2.91Å; L199-I203 HydrophobicContact CD2-CD1 4.34Å; L199-I203 HydrophobicContact CG-CD1 3.96Å; L199-I203 VanDerWaalsContact O-CG1 3.28Å; L199-I203 WeakPolarHBondContact O-CG1 3.44Å; L199-I203 PolarHBondContact O-N 2.86Å
200L90.4Very high90.5Very high34 Ų3447 Ų4718%0.17825%0.254CS..Hα-helixtrans-62.6-43.7178.7-70.5173.6000111.8W24 L25 L28 I196 S197 L202 I203 E204W24-L200 HydrophobicContact CB-CD1 3.78Å; L25-L200 HydrophobicContact CD2-CB 4.06Å; L25-L200 HydrophobicContact CD2-CD1 4.36Å; L25-L200 HydrophobicContact CG-CB 4.43Å; L28-L200 HydrophobicContact CD1-CD1 3.73Å; I196-L200 HydrophobicContact CG2-CD1 4.14Å; I196-L200 HydrophobicContact CG2-CG 4.49Å; I196-L200 WeakPolarHBondContact O-CG 3.41Å; I196-L200 PolarHBondContact O-N 2.95Å; S197-L200 PolarHBondContact O-N 3.2Å; L200-L202 VanDerWaalsContact C-N 3.33Å; L200-L202 PolarHBondContact O-N 2.89Å; L200-I203 PolarHBondContact O-N 3.27Å; L200-E204 PolarHBondContact O-N 2.95Å
201N90.7Very high89.9Confident4 Ų450.4 Ų50.42%0.02127%0.27CS..Hα-helixtrans-64.9-36.2176.2-73.7-58.5000111.9L25 I135 V139 S197 L198 L205L25-N201 WeakPolarHBondContact CD1-OD1 3.37Å; I135-N201 HydrophobicContact CG2-CB 4.23Å; I135-N201 WeakPolarHBondContact CG2-O 3.12Å; V139-N201 HydrophobicContact CG2-CB 3.7Å; S197-N201 WeakPolarHBondContact O-CB 2.9Å; S197-N201 PolarHBondContact O-N 3.44Å; S197-N201 PolarHBondContact O-ND2 3.21Å; S197-N201 PolarHBondContact OG-ND2 2.94Å; L198-N201 PolarHBondContact O-N 3.39Å; N201-L205 VanDerWaalsContact O-CB 3.32Å; N201-L205 WeakPolarHBondContact O-CB 3.34Å; N201-L205 PolarHBondContact O-N 3.18Å
202L92.1Very high89.1Confident64 Ų6451.8 Ų51.834%0.33529%0.285SS..Hα-helixtrans-66.3-44.7173.9-77171000111.9V139 L198 L199 L200 L205 I206V139-L202 HydrophobicContact CG1-CD2 3.6Å; V139-L202 HydrophobicContact CG1-CG 4.15Å; V139-L202 HydrophobicContact CG2-CD2 4.15Å; V139-L202 HydrophobicContact CG2-CG 4.27Å; L198-L202 HydrophobicContact CD1-CD1 4.49Å; L198-L202 HydrophobicContact CG-CD1 4.16Å; L198-L202 WeakPolarHBondContact O-CB 3.37Å; L198-L202 VanDerWaalsContact O-CG 3.27Å; L198-L202 WeakPolarHBondContact O-CG 3.17Å; L198-L202 PolarHBondContact O-N 3.45Å; L199-L202 PolarHBondContact O-N 2.91Å; L200-L202 VanDerWaalsContact C-N 3.33Å; L200-L202 PolarHBondContact O-N 2.89Å; L202-L205 PolarHBondContact O-N 3.43Å; L202-I206 WeakPolarHBondContact O-CB 3.43Å; L202-I206 VanDerWaalsContact O-CG1 3.24Å; L202-I206 WeakPolarHBondContact O-CG1 3.37Å; L202-I206 PolarHBondContact O-N 2.76Å
203I90.5Very high88.3Confident96 Ų9654.9 Ų54.949%0.49229%0.292SS..Hα-helixtrans-60.8-46.5176.9-69.2165.9000110.3L199 L200 L205 I206 H207L199-I203 HydrophobicContact CD2-CD1 4.34Å; L199-I203 HydrophobicContact CG-CD1 3.96Å; L199-I203 VanDerWaalsContact O-CG1 3.28Å; L199-I203 WeakPolarHBondContact O-CG1 3.44Å; L199-I203 PolarHBondContact O-N 2.86Å; L200-I203 PolarHBondContact O-N 3.27Å; I203-L205 PolarHBondContact O-N 3.17Å; I203-I206 PolarHBondContact O-N 2.85Å; I203-H207 WeakPolarHBondContact O-CB 3.45Å; I203-H207 PolarHBondContact O-N 2.96Å
204E87.1Confident87.5Confident9 Ų959.3 Ų59.34%0.04232%0.324CS..Hα-helixtrans-60.5-45.5176.4-174.575.817300110.8S17 T18 Y131 I135 L200 I206 H207 L208S17-E204 PolarHBondContact OG-OE1 3.5Å; T18-E204 WeakPolarHBondContact CB-OE2 3.37Å; T18-E204 WeakPolarHBondContact CG2-OE2 3.42Å; T18-E204 PolarHBondContact N-OE1 3.09Å; T18-E204 VanDerWaalsContact N-OE1 3.12Å; T18-E204 PolarHBondContact OG1-OE2 2.94Å; Y131-E204 PolarHBondContact OH-OE1 3.35Å; I135-E204 HydrophobicContact CD1-CG 3.78Å; L200-E204 PolarHBondContact O-N 2.95Å; E204-I206 PolarHBondContact O-N 2.8Å; E204-H207 PolarHBondContact O-N 2.85Å; E204-L208 HydrophobicContact CG-CD1 4.33Å; E204-L208 VanDerWaalsContact O-CG 3.29Å; E204-L208 WeakPolarHBondContact O-CG 3.37Å; E204-L208 PolarHBondContact O-N 2.79Å
205L88.9Confident86.1Confident22 Ų2269.8 Ų69.812%0.11537%0.365CS..Hα-helixtrans-60.6-46178.1-175.661.6000111.8A132 I135 L136 N201 L202 I203 H207 L208 L209A132-L205 HydrophobicContact CB-CD1 4.45Å; I135-L205 HydrophobicContact CG2-CB 3.9Å; I135-L205 HydrophobicContact CG2-CD1 4.39Å; L136-L205 HydrophobicContact CD1-CD2 4.22Å; N201-L205 VanDerWaalsContact O-CB 3.32Å; N201-L205 WeakPolarHBondContact O-CB 3.34Å; N201-L205 PolarHBondContact O-N 3.18Å; L202-L205 PolarHBondContact O-N 3.43Å; I203-L205 PolarHBondContact O-N 3.17Å; L205-H207 VanDerWaalsContact C-N 3.35Å; L205-L208 PolarHBondContact O-N 3.22Å; L205-L209 HydrophobicContact CG-CD1 4.29Å; L205-L209 VanDerWaalsContact O-CG 3.27Å; L205-L209 WeakPolarHBondContact O-CG 3.45Å; L205-L209 PolarHBondContact O-N 3.05Å
206I89.2Confident84.1Confident96 Ų9681 Ų8149%0.49240%0.397SS..Hα-helixtrans-61.8-44.7177.5-69.4164.9000110.3L202 I203 E204 L208 L209 I210L202-I206 WeakPolarHBondContact O-CB 3.43Å; L202-I206 VanDerWaalsContact O-CG1 3.24Å; L202-I206 WeakPolarHBondContact O-CG1 3.37Å; L202-I206 PolarHBondContact O-N 2.76Å; I203-I206 PolarHBondContact O-N 2.85Å; E204-I206 PolarHBondContact O-N 2.8Å; I206-L208 PolarHBondContact O-N 3.36Å; I206-L209 PolarHBondContact O-N 2.7Å; I206-I210 HydrophobicContact CG2-CD1 3.78Å; I206-I210 HydrophobicContact CG2-CG1 4.43Å; I206-I210 VanDerWaalsContact O-CG1 3.3Å; I206-I210 WeakPolarHBondContact O-CG1 3.23Å; I206-I210 PolarHBondContact O-N 3.14Å
207H85.5Confident83.7Confident86 Ų8681.4 Ų81.440%0.39840%0.398SS..Hα-helixtrans-59.9-44.7177.5-179-101000112I203 E204 L205 L209 I210 L211I203-H207 WeakPolarHBondContact O-CB 3.45Å; I203-H207 PolarHBondContact O-N 2.96Å; E204-H207 PolarHBondContact O-N 2.85Å; L205-H207 VanDerWaalsContact C-N 3.35Å; H207-L209 PolarHBondContact O-N 3.27Å; H207-I210 PolarHBondContact O-N 2.94Å; H207-L211 WeakPolarHBondContact CE1-CD1 3.42Å; H207-L211 WeakPolarHBondContact O-CG 3.23Å; H207-L211 PolarHBondContact O-N 2.84Å
208L83.9Confident83.3Confident15 Ų1585.2 Ų85.28%0.07942%0.416CS..Hα-helixtrans-64.8-37.9175.9-67.3174.1000112.7L128 Y131 I135 E204 L205 I206 L211 A212L128-L208 HydrophobicContact CD1-CD2 3.78Å; Y131-L208 HydrophobicContact CD1-CD1 3.55Å; Y131-L208 HydrophobicContact CD1-CD2 4.42Å; Y131-L208 HydrophobicContact CE1-CD1 3.59Å; Y131-L208 HydrophobicContact CE1-CD2 4.42Å; I135-L208 HydrophobicContact CD1-CD1 3.44Å; I135-L208 VanDerWaalsContact CD1-CD1 3.44Å; E204-L208 HydrophobicContact CG-CD1 4.33Å; E204-L208 VanDerWaalsContact O-CG 3.29Å; E204-L208 WeakPolarHBondContact O-CG 3.37Å; E204-L208 PolarHBondContact O-N 2.79Å; L205-L208 PolarHBondContact O-N 3.22Å; I206-L208 PolarHBondContact O-N 3.36Å; L208-L211 PolarHBondContact O-N 3.05Å; L208-A212 WeakPolarHBondContact O-CB 3.32Å; L208-A212 PolarHBondContact O-N 3.44Å
209L83.9Confident82.7Confident83 Ų8388.1 Ų88.144%0.43543%0.429SS..Hα-helixtrans-64.3-45.9175.8-71.8172.8000110.9L205 I206 H207 L211 A212 F213L205-L209 HydrophobicContact CG-CD1 4.29Å; L205-L209 VanDerWaalsContact O-CG 3.27Å; L205-L209 WeakPolarHBondContact O-CG 3.45Å; L205-L209 PolarHBondContact O-N 3.05Å; I206-L209 PolarHBondContact O-N 2.7Å; H207-L209 PolarHBondContact O-N 3.27Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 PolarHBondContact O-N 2.94Å; L209-A212 WeakPolarHBondContact O-CB 3.4Å; L209-A212 PolarHBondContact O-N 3.35Å; L209-A212 VanDerWaalsContact O-N 3.15Å; L209-F213 WeakPolarHBondContact O-CD2 3.2Å; L209-F213 PolarHBondContact O-N 3.25Å
210I85.4Confident82.1Confident105 Ų10587.2 Ų87.254%0.53842%0.423SS..Hα-helixtrans-59-45.8176.7-67.1164.9000110.8I206 H207 A212 F213 S214I206-I210 HydrophobicContact CG2-CD1 3.78Å; I206-I210 HydrophobicContact CG2-CG1 4.43Å; I206-I210 VanDerWaalsContact O-CG1 3.3Å; I206-I210 WeakPolarHBondContact O-CG1 3.23Å; I206-I210 PolarHBondContact O-N 3.14Å; H207-I210 PolarHBondContact O-N 2.94Å; I210-A212 VanDerWaalsContact C-N 3.33Å; I210-A212 PolarHBondContact O-N 3.29Å; I210-F213 PolarHBondContact O-N 3.34Å; I210-S214 WeakPolarHBondContact O-CB 2.88Å; I210-S214 PolarHBondContact O-N 3.3Å
211L80.1Confident81.5Confident87 Ų8790.5 Ų90.546%0.45544%0.438SS..Hα-helixtrans-60.8-41.1175.5-77.3170.5000112.2H207 L208 L209 F213 S214 Y215H207-L211 WeakPolarHBondContact CE1-CD1 3.42Å; H207-L211 WeakPolarHBondContact O-CG 3.23Å; H207-L211 PolarHBondContact O-N 2.84Å; L208-L211 PolarHBondContact O-N 3.05Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 PolarHBondContact O-N 2.94Å; L211-F213 VanDerWaalsContact C-N 3.34Å; L211-F213 PolarHBondContact O-N 3.02Å; L211-S214 PolarHBondContact O-N 2.97Å; L211-Y215 PolarHBondContact O-N 3.15Å
212A75.5Confident80.9Confident47 Ų4796.3 Ų96.339%0.38847%0.466SS..Hα-helixtrans-66-35.1177.600000112.7L128 L208 L209 I210L128-A212 HydrophobicContact CD2-CB 4.47Å; L208-A212 WeakPolarHBondContact O-CB 3.32Å; L208-A212 PolarHBondContact O-N 3.44Å; L209-A212 WeakPolarHBondContact O-CB 3.4Å; L209-A212 PolarHBondContact O-N 3.35Å; L209-A212 VanDerWaalsContact O-N 3.15Å; I210-A212 VanDerWaalsContact C-N 3.33Å; I210-A212 PolarHBondContact O-N 3.29Å
213F78.8Confident80.1Confident146 Ų14698.6 Ų98.664%0.6448%0.475SS*.Hα-helixtrans-72.8-37.1174.1-82.2-72.5000112.8L209 I210 L211 Y215 R216L209-F213 WeakPolarHBondContact O-CD2 3.2Å; L209-F213 PolarHBondContact O-N 3.25Å; I210-F213 PolarHBondContact O-N 3.34Å; L211-F213 VanDerWaalsContact C-N 3.34Å; L211-F213 PolarHBondContact O-N 3.02Å; F213-Y215 VanDerWaalsContact C-N 3.29Å; F213-Y215 PolarHBondContact O-N 3.31Å; F213-R216 PolarHBondContact O-N 2.85Å
214S75.2Confident79.3Confident101 Ų10198.8 Ų98.871%0.70647%0.474SS*.Hα-helixtrans-69.7-24.5179.3-170.40000113.4I210 L211I210-S214 WeakPolarHBondContact O-CB 2.88Å; I210-S214 PolarHBondContact O-N 3.3Å; L211-S214 PolarHBondContact O-N 2.97Å
215Y63.1Low78.7Confident220 Ų220106.3 Ų106.386%0.86351%0.51SS*.THydrogen-bonded Turntrans-91.56.2178.3-152.7-98000113.8L211 F213L211-Y215 PolarHBondContact O-N 3.15Å; F213-Y215 VanDerWaalsContact C-N 3.29Å; F213-Y215 PolarHBondContact O-N 3.31Å
216R54.7Low77.7Confident267 Ų267113.9 Ų113.9100%1.00855%0.546SS*.  trans-102.30176.6-171.2178.3-171.9163.81.8110.7F213F213-R216 PolarHBondContact O-N 2.85Å

Retrieved 216 of 216 residues in 133.2 ms (Link to these results)

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