A0A3Q0KCS8_SCHMA Loading...

WKF domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KCS8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 112 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
1M52.4Low60.3Low171 Ų171117.9 Ų117.984%0.84255%0.545SS*.  0130.30-107.4168.8163.600108.1H3 D4M1-H3 VanDerWaalsContact CG-CE1 3.42Å; M1-H3 WeakPolarHBondContact CG-CE1 3.27Å; M1-H3 PolarHBondContact O-N 3.05Å; M1-H3 VanDerWaalsContact SD-CE1 3.59Å; M1-D4 HydrophobicContact CB-CB 4.39Å; M1-D4 WeakPolarHBondContact CB-OD2 3.38Å
2W61.2Low60.8Low116 Ų116121.3 Ų121.344%0.43956%0.557SS.*THydrogen-bonded Turntrans-69.1-1.3-173.163.4-91000114.3W9 L19 I36 Y40W2-W9 HydrophobicContact CE3-CZ2 4.34Å; W2-W9 VanDerWaalsContact O-CZ2 3.25Å; W2-W9 WeakPolarHBondContact O-CZ2 3.48Å; W2-W9 PolarHBondContact O-NE1 3.25Å; W2-L19 HydrophobicContact CE3-CD1 4.34Å; W2-L19 HydrophobicContact CH2-CD1 4.28Å; W2-L19 HydrophobicContact CZ3-CD1 3.92Å; W2-I36 HydrophobicContact CH2-CB 4.39Å; W2-I36 HydrophobicContact CH2-CG2 3.67Å; W2-I36 HydrophobicContact CZ2-CB 4.36Å; W2-I36 HydrophobicContact CZ2-CG2 3.8Å; W2-I36 HydrophobicContact CZ3-CG2 4.31Å; W2-Y40 HydrophobicContact CZ3-CG 4.46Å
3H66Low62.1Low41 Ų41125.4 Ų125.419%0.1957%0.572CS.*THydrogen-bonded Turntrans-116.1-6.8-176.256.1-88.2000115.3M1 I36M1-H3 VanDerWaalsContact CG-CE1 3.42Å; M1-H3 WeakPolarHBondContact CG-CE1 3.27Å; M1-H3 PolarHBondContact O-N 3.05Å; M1-H3 VanDerWaalsContact SD-CE1 3.59Å; H3-I36 HydrophobicContact CB-CG2 3.58Å
4D65.8Low63.7Low110 Ų110126.8 Ų126.859%0.58859%0.586SS**SBendtrans-84.6-11-173-71.7-23.7000114.2M1M1-D4 HydrophobicContact CB-CB 4.39Å; M1-D4 WeakPolarHBondContact CB-OD2 3.38Å
5D67.2Low65.1Low67 Ų67122.9 Ų122.936%0.35858%0.577SS.*  trans-132.668.7-173.3-159.1-17.9000112.3K7 N8 W9D5-K7 PolarHBondContact O-N 3.46Å; D5-K7 VanDerWaalsContact O-N 3.16Å; D5-K7 PolarHBondContact OD1-N 3.45Å; D5-N8 HydrophobicContact CB-CB 4.44Å; D5-N8 VanDerWaalsContact CG-CB 3.45Å; D5-N8 VanDerWaalsContact CG-ND2 3.31Å; D5-N8 CarbonylContact O-C 3.51Å; D5-N8 PolarHBondContact O-N 3.48Å; D5-N8 WeakPolarHBondContact OD1-CB 3.5Å; D5-N8 PolarHBondContact OD1-N 3.4Å; D5-N8 PolarHBondContact OD1-ND2 3.13Å; D5-N8 VanDerWaalsContact OD2-CB 3.23Å; D5-N8 WeakPolarHBondContact OD2-CB 3.29Å; D5-N8 PolarHBondContact OD2-ND2 2.73Å; D5-W9 PolarHBondContact O-N 2.93Å
6H63Low66.5Low113 Ų113118.2 Ų118.252%0.52355%0.554SS.*SBendtrans-56-27175.5-86.2-93.6000113W9H6-W9 HydrophobicContact CB-CE3 4.46Å; H6-W9 AromaticContact CE1-CH2 3.21Å; H6-W9 WeakPolarHBondContact CE1-CH2 3.42Å; H6-W9 AromaticContact CE1-CZ3 3.17Å; H6-W9 WeakPolarHBondContact CE1-CZ3 3.43Å; H6-W9 AromaticContact CG-CZ3 3.94Å; H6-W9 AromaticContact ND1-CE3 3.48Å; H6-W9 AromaticContact ND1-CH2 3.56Å; H6-W9 AromaticContact ND1-CZ3 3.09Å; H6-W9 WeakPolarHBondContact ND1-CZ3 3.3Å; H6-W9 AromaticContact NE2-CH2 3.68Å
7K59.8Low67.9Low205 Ų205115.1 Ų115.189%0.89155%0.549SS*.SBendtrans-83.4-33.6-179.4-73.3-172.8177.1-176.80112.8D5D5-K7 PolarHBondContact O-N 3.46Å; D5-K7 VanDerWaalsContact O-N 3.16Å; D5-K7 PolarHBondContact OD1-N 3.45Å
8N56.8Low69.3Low124 Ų124115.8 Ų115.866%0.66355%0.545SS*.SBendtrans-98.521.2172.2-60-62.2000113.6D5 K10D5-N8 HydrophobicContact CB-CB 4.44Å; D5-N8 VanDerWaalsContact CG-CB 3.45Å; D5-N8 VanDerWaalsContact CG-ND2 3.31Å; D5-N8 CarbonylContact O-C 3.51Å; D5-N8 PolarHBondContact O-N 3.48Å; D5-N8 WeakPolarHBondContact OD1-CB 3.5Å; D5-N8 PolarHBondContact OD1-N 3.4Å; D5-N8 PolarHBondContact OD1-ND2 3.13Å; D5-N8 VanDerWaalsContact OD2-CB 3.23Å; D5-N8 WeakPolarHBondContact OD2-CB 3.29Å; D5-N8 PolarHBondContact OD2-ND2 2.73Å; N8-K10 PolarHBondContact O-N 3.16Å
9W60Low70.5Confident50 Ų50110.7 Ų110.719%0.18952%0.522CS..  trans-65.675.9165.9-84.6-3.1000110.3W2 D5 H6 F11 Y40W2-W9 HydrophobicContact CE3-CZ2 4.34Å; W2-W9 VanDerWaalsContact O-CZ2 3.25Å; W2-W9 WeakPolarHBondContact O-CZ2 3.48Å; W2-W9 PolarHBondContact O-NE1 3.25Å; D5-W9 PolarHBondContact O-N 2.93Å; H6-W9 HydrophobicContact CB-CE3 4.46Å; H6-W9 AromaticContact CE1-CH2 3.21Å; H6-W9 WeakPolarHBondContact CE1-CH2 3.42Å; H6-W9 AromaticContact CE1-CZ3 3.17Å; H6-W9 WeakPolarHBondContact CE1-CZ3 3.43Å; H6-W9 AromaticContact CG-CZ3 3.94Å; H6-W9 AromaticContact ND1-CE3 3.48Å; H6-W9 AromaticContact ND1-CH2 3.56Å; H6-W9 AromaticContact ND1-CZ3 3.09Å; H6-W9 WeakPolarHBondContact ND1-CZ3 3.3Å; H6-W9 AromaticContact NE2-CH2 3.68Å; W9-F11 HydrophobicContact CB-CD1 4.38Å; W9-F11 HydrophobicContact CB-CD2 4.11Å; W9-F11 HydrophobicContact CB-CE1 4.1Å; W9-F11 HydrophobicContact CB-CE2 3.86Å; W9-F11 HydrophobicContact CB-CG 4.4Å; W9-F11 HydrophobicContact CB-CZ 3.91Å; W9-F11 AromaticContact CD2-CE1 3.68Å; W9-F11 HydrophobicContact CD2-CE1 3.68Å; W9-F11 HydrophobicContact CD2-CE2 4.45Å; W9-F11 AromaticContact CD2-CZ 3.65Å; W9-F11 HydrophobicContact CD2-CZ 3.65Å; W9-F11 AromaticContact CE3-CE1 3.45Å; W9-F11 HydrophobicContact CE3-CE1 3.45Å; W9-F11 VanDerWaalsContact CE3-CE1 3.45Å; W9-F11 AromaticContact CE3-CE2 3.91Å; W9-F11 HydrophobicContact CE3-CE2 3.91Å; W9-F11 AromaticContact CE3-CZ 3.02Å; W9-F11 HydrophobicContact CE3-CZ 3.02Å; W9-F11 HydrophobicContact CG-CE1 4.05Å; W9-F11 HydrophobicContact CG-CZ 4.1Å; W9-F11 AromaticContact CZ3-CE1 3.93Å; W9-F11 HydrophobicContact CZ3-CE1 3.93Å; W9-F11 AromaticContact CZ3-CZ 3.61Å; W9-F11 HydrophobicContact CZ3-CZ 3.61Å; W9-F11 WeakPolarHBondContact O-CD2 2.98Å; W9-F11 PolarHBondContact O-N 3.12Å; W9-Y40 AromaticContact CH2-CD2 3.37Å; W9-Y40 HydrophobicContact CH2-CD2 3.37Å; W9-Y40 HydrophobicContact CH2-CE2 4.13Å; W9-Y40 HydrophobicContact CH2-CG 4.25Å; W9-Y40 HydrophobicContact CZ2-CD2 4.32Å; W9-Y40 AromaticContact CZ3-CD2 3.49Å; W9-Y40 HydrophobicContact CZ3-CD2 3.49Å; W9-Y40 VanDerWaalsContact CZ3-CD2 3.49Å; W9-Y40 AromaticContact CZ3-CE2 3.93Å; W9-Y40 HydrophobicContact CZ3-CE2 3.93Å
10K54.3Low71.6Confident197 Ų197105.4 Ų105.486%0.85750%0.497SS*.  trans-67.982.7154.5-163.7174.7-170.4175.80104.9N8 K12N8-K10 PolarHBondContact O-N 3.16Å; K10-K12 VanDerWaalsContact C-N 3.31Å; K10-K12 PolarHBondContact O-N 2.89Å
11F56.5Low72.5Confident103 Ų103107.8 Ų107.845%0.45251%0.505SS..  trans-55.199.6-178.2-76.1-70.6000108.4W9 K13 Y40W9-F11 HydrophobicContact CB-CD1 4.38Å; W9-F11 HydrophobicContact CB-CD2 4.11Å; W9-F11 HydrophobicContact CB-CE1 4.1Å; W9-F11 HydrophobicContact CB-CE2 3.86Å; W9-F11 HydrophobicContact CB-CG 4.4Å; W9-F11 HydrophobicContact CB-CZ 3.91Å; W9-F11 AromaticContact CD2-CE1 3.68Å; W9-F11 HydrophobicContact CD2-CE1 3.68Å; W9-F11 HydrophobicContact CD2-CE2 4.45Å; W9-F11 AromaticContact CD2-CZ 3.65Å; W9-F11 HydrophobicContact CD2-CZ 3.65Å; W9-F11 AromaticContact CE3-CE1 3.45Å; W9-F11 HydrophobicContact CE3-CE1 3.45Å; W9-F11 VanDerWaalsContact CE3-CE1 3.45Å; W9-F11 AromaticContact CE3-CE2 3.91Å; W9-F11 HydrophobicContact CE3-CE2 3.91Å; W9-F11 AromaticContact CE3-CZ 3.02Å; W9-F11 HydrophobicContact CE3-CZ 3.02Å; W9-F11 HydrophobicContact CG-CE1 4.05Å; W9-F11 HydrophobicContact CG-CZ 4.1Å; W9-F11 AromaticContact CZ3-CE1 3.93Å; W9-F11 HydrophobicContact CZ3-CE1 3.93Å; W9-F11 AromaticContact CZ3-CZ 3.61Å; W9-F11 HydrophobicContact CZ3-CZ 3.61Å; W9-F11 WeakPolarHBondContact O-CD2 2.98Å; W9-F11 PolarHBondContact O-N 3.12Å; F11-K13 PolarHBondContact O-N 3.22Å; F11-Y40 HydrophobicContact CD1-CE2 4.38Å; F11-Y40 HydrophobicContact CE1-CD2 4.3Å; F11-Y40 AromaticContact CE1-CE2 3.37Å; F11-Y40 HydrophobicContact CE1-CE2 3.37Å; F11-Y40 AromaticContact CZ-CE2 3.74Å; F11-Y40 HydrophobicContact CZ-CE2 3.74Å
12K66Low74.5Confident159 Ų159100.9 Ų100.969%0.69147%0.472SS*.  trans-59.7114.7163.1-67.1-176.9-179.2-177.20103.8K10 L14 P15 Q16K10-K12 VanDerWaalsContact C-N 3.31Å; K10-K12 PolarHBondContact O-N 2.89Å; K12-L14 PolarHBondContact O-N 3.14Å; K12-P15 HydrophobicContact CB-CG 3.86Å; K12-P15 WeakPolarHBondContact O-CD 3.32Å; K12-Q16 PolarHBondContact O-N 3.36Å
13K78.5Confident75.9Confident174 Ų17495.4 Ų95.476%0.75745%0.451SS*.Hα-helixtrans-50.2-30.8-178.6-171.4175.1-178.7179.20111.7F11 S17F11-K13 PolarHBondContact O-N 3.22Å; K13-S17 WeakPolarHBondContact O-CB 3.4Å; K13-S17 PolarHBondContact O-N 3.42Å
14L84.1Confident77.1Confident145 Ų14594.6 Ų94.676%0.75945%0.448SS*.Hα-helixtrans-60.7-61.1176.6-67172.6000113.3K12 Q16 S17 W18K12-L14 PolarHBondContact O-N 3.14Å; L14-Q16 PolarHBondContact O-N 2.94Å; L14-S17 PolarHBondContact O-N 2.92Å; L14-W18 WeakPolarHBondContact O-CB 2.97Å; L14-W18 PolarHBondContact O-N 2.91Å
15P85.2Confident78.2Confident69 Ų6991.3 Ų91.345%0.44843%0.431SS..Hα-helixtrans-52.8-43.8173.5-33.131.4000115.7K12 W18 L19K12-P15 HydrophobicContact CB-CG 3.86Å; K12-P15 WeakPolarHBondContact O-CD 3.32Å; P15-W18 PolarHBondContact O-N 2.83Å; P15-L19 WeakPolarHBondContact O-CB 3.32Å; P15-L19 WeakPolarHBondContact O-CG 3.38Å; P15-L19 PolarHBondContact O-N 3.14Å
16Q87.7Confident79.3Confident47 Ų4795.6 Ų95.622%0.2244%0.442CS..Hα-helixtrans-62.3-50.8178168.1174.873.300110.8K12 L14 W18 L19 I20 Y40 A48K12-Q16 PolarHBondContact O-N 3.36Å; L14-Q16 PolarHBondContact O-N 2.94Å; Q16-W18 VanDerWaalsContact C-N 3.27Å; Q16-W18 PolarHBondContact O-N 3.28Å; Q16-L19 PolarHBondContact O-N 3.38Å; Q16-I20 HydrophobicContact CG-CD1 3.63Å; Q16-I20 HydrophobicContact CG-CG1 4.48Å; Q16-I20 WeakPolarHBondContact O-CG1 3.35Å; Q16-I20 PolarHBondContact O-N 2.99Å; Q16-Y40 WeakPolarHBondContact CB-OH 3.23Å; Q16-Y40 WeakPolarHBondContact CG-OH 3.44Å; Q16-Y40 PolarHBondContact NE2-OH 3.46Å; Q16-A48 HydrophobicContact CG-CB 4.47Å
17S90Very high80.5Confident66 Ų6698.9 Ų98.946%0.46245%0.454SS..Hα-helixtrans-60-40.6178.4-179.70000111.2K13 L14 I20 K21K13-S17 WeakPolarHBondContact O-CB 3.4Å; K13-S17 PolarHBondContact O-N 3.42Å; L14-S17 PolarHBondContact O-N 2.92Å; S17-I20 PolarHBondContact O-N 3.34Å; S17-K21 WeakPolarHBondContact O-CB 3.31Å; S17-K21 PolarHBondContact O-N 3.44Å
18W92.1Very high82Confident127 Ų12793.4 Ų93.448%0.48143%0.433SS..Hα-helixtrans-62.9-45175.7-17493.4000112.1L14 P15 Q16 N22 M28L14-W18 WeakPolarHBondContact O-CB 2.97Å; L14-W18 PolarHBondContact O-N 2.91Å; P15-W18 PolarHBondContact O-N 2.83Å; Q16-W18 VanDerWaalsContact C-N 3.27Å; Q16-W18 PolarHBondContact O-N 3.28Å; W18-N22 PolarHBondContact NE1-ND2 2.87Å; W18-N22 WeakPolarHBondContact O-CB 3.4Å; W18-N22 PolarHBondContact O-N 3.39Å; W18-N22 VanDerWaalsContact O-N 3.08Å; W18-N22 PolarHBondContact O-ND2 3.48Å; W18-M28 HydrophobicContact CH2-CB 4.35Å; W18-M28 HydrophobicContact CZ2-CB 4.42Å; W18-M28 HydrophobicContact CZ2-SD 4.38Å
19L92.4Very high83.6Confident19 Ų1987.8 Ų87.810%0.09940%0.403CS..Hα-helixtrans-63.1-44.9178.3-78.3171.7000111.8W2 P15 Q16 N22 A23 I29 F37 Y40W2-L19 HydrophobicContact CE3-CD1 4.34Å; W2-L19 HydrophobicContact CH2-CD1 4.28Å; W2-L19 HydrophobicContact CZ3-CD1 3.92Å; P15-L19 WeakPolarHBondContact O-CB 3.32Å; P15-L19 WeakPolarHBondContact O-CG 3.38Å; P15-L19 PolarHBondContact O-N 3.14Å; Q16-L19 PolarHBondContact O-N 3.38Å; L19-N22 CarbonylContact O-C 3.54Å; L19-N22 PolarHBondContact O-N 2.68Å; L19-A23 WeakPolarHBondContact O-CA 3.48Å; L19-A23 PolarHBondContact O-N 2.84Å; L19-I29 HydrophobicContact CD2-CD1 4.07Å; L19-F37 HydrophobicContact CB-CD2 4.43Å; L19-F37 HydrophobicContact CB-CE2 4.08Å; L19-F37 HydrophobicContact CD2-CD2 4.28Å; L19-Y40 HydrophobicContact CD1-CD1 4.18Å; L19-Y40 HydrophobicContact CD1-CE1 4.05Å
20I92.3Very high85.1Confident4 Ų487.8 Ų87.82%0.02141%0.41CS..Hα-helixtrans-66-49.3-179.5-66.3166.3000110.1Q16 S17 N22 A23 L44 A48 D51 L52 Q55Q16-I20 HydrophobicContact CG-CD1 3.63Å; Q16-I20 HydrophobicContact CG-CG1 4.48Å; Q16-I20 WeakPolarHBondContact O-CG1 3.35Å; Q16-I20 PolarHBondContact O-N 2.99Å; S17-I20 PolarHBondContact O-N 3.34Å; I20-N22 PolarHBondContact O-N 2.85Å; I20-N22 VanDerWaalsContact O-N 3.16Å; I20-A23 VanDerWaalsContact O-CB 3.27Å; I20-A23 WeakPolarHBondContact O-CB 3.03Å; I20-A23 PolarHBondContact O-N 3.25Å; I20-A23 VanDerWaalsContact O-N 3.14Å; I20-L44 HydrophobicContact CD1-CD2 4.31Å; I20-A48 HydrophobicContact CD1-CB 3.66Å; I20-D51 HydrophobicContact CG2-CB 4.45Å; I20-D51 WeakPolarHBondContact CG2-OD2 3.44Å; I20-L52 HydrophobicContact CG2-CB 4.06Å; I20-L52 HydrophobicContact CG2-CD1 4.3Å; I20-Q55 PolarHBondContact O-OE1 3.21Å
21K91.9Very high86.8Confident156 Ų15681.6 Ų81.668%0.67839%0.391SS*.Hα-helixtrans-56-33.3177.5-178.7176.5179.1177.30113.1S17S17-K21 WeakPolarHBondContact O-CB 3.31Å; S17-K21 PolarHBondContact O-N 3.44Å
22N92.7Very high88.4Confident26 Ų2680.6 Ų80.614%0.13940%0.397CS..THydrogen-bonded Turntrans-104.68.3-176.2-66.2-73.5000113.6W18 L19 I20 L24 D25 M28W18-N22 PolarHBondContact NE1-ND2 2.87Å; W18-N22 WeakPolarHBondContact O-CB 3.4Å; W18-N22 PolarHBondContact O-N 3.39Å; W18-N22 VanDerWaalsContact O-N 3.08Å; W18-N22 PolarHBondContact O-ND2 3.48Å; L19-N22 CarbonylContact O-C 3.54Å; L19-N22 PolarHBondContact O-N 2.68Å; I20-N22 PolarHBondContact O-N 2.85Å; I20-N22 VanDerWaalsContact O-N 3.16Å; N22-L24 PolarHBondContact O-N 2.87Å; N22-D25 PolarHBondContact O-N 3.18Å; N22-M28 HydrophobicContact CB-CB 3.71Å; N22-M28 HydrophobicContact CB-CG 4.21Å; N22-M28 WeakPolarHBondContact OD1-CG 3.4Å
23A91.9Very high89.5Confident1 Ų176.4 Ų76.41%0.00838%0.38CS..THydrogen-bonded Turntrans-55.1-33.2-172.500000113.7L19 I20 F37 L52 I102L19-A23 WeakPolarHBondContact O-CA 3.48Å; L19-A23 PolarHBondContact O-N 2.84Å; I20-A23 VanDerWaalsContact O-CB 3.27Å; I20-A23 WeakPolarHBondContact O-CB 3.03Å; I20-A23 PolarHBondContact O-N 3.25Å; I20-A23 VanDerWaalsContact O-N 3.14Å; A23-F37 HydrophobicContact CB-CE1 3.84Å; A23-F37 HydrophobicContact CB-CE2 4.45Å; A23-F37 HydrophobicContact CB-CZ 3.54Å; A23-L52 HydrophobicContact CB-CD1 3.63Å; A23-I102 HydrophobicContact CB-CD1 3.97Å
24L90.9Very high90.2Very high24 Ų2468.6 Ų68.613%0.12635%0.346CS..THydrogen-bonded Turntrans-92.8-14.3-175.1-56.5178.8000113.1N22 T59 A95 R98 A99 I102N22-L24 PolarHBondContact O-N 2.87Å; L24-T59 HydrophobicContact CD1-CG2 4.03Å; L24-T59 WeakPolarHBondContact CD1-OG1 3.39Å; L24-A95 HydrophobicContact CB-CB 4.28Å; L24-R98 HydrophobicContact CD2-CB 4.16Å; L24-R98 WeakPolarHBondContact O-CD 3.32Å; L24-A99 HydrophobicContact CD2-CB 3.81Å; L24-I102 HydrophobicContact CD2-CD1 3.74Å
25D89.4Confident90.5Very high41 Ų4170.8 Ų70.822%0.21934%0.344CS..  trans-86.2116-179.2-166.5-22.1000111.3N22 K27 M28 I29 R98N22-D25 PolarHBondContact O-N 3.18Å; D25-K27 VanDerWaalsContact C-N 3.28Å; D25-K27 PolarHBondContact O-N 2.93Å; D25-K27 WeakPolarHBondContact OD1-CB 3.33Å; D25-K27 PolarHBondContact OD1-N 3.46Å; D25-M28 HydrophobicContact CB-CB 4.07Å; D25-M28 HydrophobicContact CB-CG 3.97Å; D25-M28 PolarHBondContact O-N 3.1Å; D25-I29 PolarHBondContact O-N 2.89Å; D25-R98 PolarHBondContact O-NH1 3.33Å
26R88.9Confident90.7Very high158 Ų15869.7 Ų69.760%0.59633%0.334SS*.THydrogen-bonded Turntrans-67.2-25.5177.4-177.1171.5-178.6-133.9-2.5114I29 P30 R98R26-I29 CarbonylContact O-C 3.59Å; R26-P30 WeakPolarHBondContact O-CA 3.43Å; R26-R98 VanDerWaalsContact CA-NH1 3.28Å
27K89.1Confident90.9Very high181 Ų18167.5 Ų67.579%0.78732%0.324SS*.THydrogen-bonded Turntrans-73.3-37.4175.5-63.6-174.3176.7-174.40111.2D25D25-K27 VanDerWaalsContact C-N 3.28Å; D25-K27 PolarHBondContact O-N 2.93Å; D25-K27 WeakPolarHBondContact OD1-CB 3.33Å; D25-K27 PolarHBondContact OD1-N 3.46Å
28M90.6Very high90.9Very high90 Ų9068.1 Ų68.144%0.44332%0.318SS..THydrogen-bonded Turntrans-83.7-39.2-176.6-61.9-63.214800112.7W18 N22 D25W18-M28 HydrophobicContact CH2-CB 4.35Å; W18-M28 HydrophobicContact CZ2-CB 4.42Å; W18-M28 HydrophobicContact CZ2-SD 4.38Å; N22-M28 HydrophobicContact CB-CB 3.71Å; N22-M28 HydrophobicContact CB-CG 4.21Å; N22-M28 WeakPolarHBondContact OD1-CG 3.4Å; D25-M28 HydrophobicContact CB-CB 4.07Å; D25-M28 HydrophobicContact CB-CG 3.97Å; D25-M28 PolarHBondContact O-N 3.1Å
29I91Very high90.8Very high6 Ų666.7 Ų66.73%0.03132%0.32CS..SBendtrans-119.795.1172.2-54.7-175.1000107.1L19 D25 R26 E33 F34 F37 R98L19-I29 HydrophobicContact CD2-CD1 4.07Å; D25-I29 PolarHBondContact O-N 2.89Å; R26-I29 CarbonylContact O-C 3.59Å; I29-E33 HydrophobicContact CG2-CB 4.33Å; I29-F34 HydrophobicContact CG2-CB 4.24Å; I29-F34 HydrophobicContact CG2-CD2 4.34Å; I29-F37 HydrophobicContact CD1-CD2 4.18Å; I29-F37 HydrophobicContact CD1-CE2 4.42Å; I29-F37 HydrophobicContact CD1-CG 4.35Å; I29-F37 HydrophobicContact CG2-CB 4.42Å; I29-R98 PolarHBondContact O-NH1 3.09Å; I29-R98 PolarHBondContact O-NH2 2.72Å
30P92.1Very high90.7Very high51 Ų5166.1 Ų66.133%0.33132%0.316SS..  trans-64.3169177.5-10.620.3000112.5R26 S32 E33 F34R26-P30 WeakPolarHBondContact O-CA 3.43Å; P30-S32 PolarHBondContact O-N 3.01Å; P30-E33 WeakPolarHBondContact CA-OE2 3.46Å; P30-E33 WeakPolarHBondContact CB-OE2 3.3Å; P30-E33 WeakPolarHBondContact CD-OE2 3.35Å; P30-E33 WeakPolarHBondContact CG-OE2 3.5Å; P30-E33 PolarHBondContact O-N 3.3Å; P30-F34 WeakPolarHBondContact O-CB 3.37Å; P30-F34 PolarHBondContact O-N 2.92Å
31S89.4Confident90.6Very high67 Ų6766 Ų6647%0.46932%0.315SS..Hα-helixtrans-65.7-27.8-173.2-63.80000113.2
32S90Very high90.5Very high82 Ų8263.9 Ų63.957%0.57331%0.306SS*.Hα-helixtrans-63.6-47.6175.629.10000111.2P30P30-S32 PolarHBondContact O-N 3.01Å
33E89.7Confident90.2Very high71 Ų7165.7 Ų65.733%0.33233%0.331SS..Hα-helixtrans-81.2-24.4-177.4-57.570-148.500111.2I29 P30 R35 I36 F37I29-E33 HydrophobicContact CG2-CB 4.33Å; P30-E33 WeakPolarHBondContact CA-OE2 3.46Å; P30-E33 WeakPolarHBondContact CB-OE2 3.3Å; P30-E33 WeakPolarHBondContact CD-OE2 3.35Å; P30-E33 WeakPolarHBondContact CG-OE2 3.5Å; P30-E33 PolarHBondContact O-N 3.3Å; E33-R35 PolarHBondContact O-N 2.75Å; E33-R35 VanDerWaalsContact O-N 3.13Å; E33-I36 WeakPolarHBondContact O-CA 3.42Å; E33-I36 WeakPolarHBondContact O-CB 3.47Å; E33-I36 PolarHBondContact O-N 3.28Å; E33-F37 PolarHBondContact O-N 3.37Å
34F92.3Very high90Very high9 Ų966 Ų664%0.03933%0.332CS..Hα-helixtrans-58.1-28.6175.4-170.9-105.1000112I29 P30 F37 K38 R98 R101 I102I29-F34 HydrophobicContact CG2-CB 4.24Å; I29-F34 HydrophobicContact CG2-CD2 4.34Å; P30-F34 WeakPolarHBondContact O-CB 3.37Å; P30-F34 PolarHBondContact O-N 2.92Å; F34-F37 AromaticContact CD2-CD1 3.98Å; F34-F37 HydrophobicContact CD2-CD1 3.98Å; F34-F37 AromaticContact CE2-CD1 3.87Å; F34-F37 HydrophobicContact CE2-CD1 3.87Å; F34-F37 HydrophobicContact CE2-CE1 4.33Å; F34-F37 PolarHBondContact O-N 3.33Å; F34-K38 HydrophobicContact CD1-CD 4.28Å; F34-K38 HydrophobicContact CD1-CG 4.24Å; F34-K38 HydrophobicContact CE1-CD 3.9Å; F34-K38 HydrophobicContact CE1-CG 3.92Å; F34-K38 HydrophobicContact CZ-CG 4.29Å; F34-K38 WeakPolarHBondContact O-CG 3.39Å; F34-K38 PolarHBondContact O-N 3.32Å; F34-R98 HydrophobicContact CE2-CG 4.49Å; F34-R98 HydrophobicContact CZ-CG 4.49Å; F34-R101 HydrophobicContact CE1-CB 4.17Å; F34-R101 HydrophobicContact CZ-CB 4.25Å; F34-I102 HydrophobicContact CE2-CD1 4.14Å; F34-I102 HydrophobicContact CE2-CG1 4Å; F34-I102 HydrophobicContact CZ-CD1 4.4Å; F34-I102 HydrophobicContact CZ-CG1 3.83Å
35R90.2Very high89.9Confident191 Ų19170.3 Ų70.372%0.72136%0.359SS*.Hα-helixtrans-62.3-42.9171.9-175.8178.7178.1179.7-0.6111.7E33 K38 L39E33-R35 PolarHBondContact O-N 2.75Å; E33-R35 VanDerWaalsContact O-N 3.13Å; R35-K38 PolarHBondContact O-N 3.4Å; R35-L39 PolarHBondContact O-N 2.88Å
36I89.4Confident89.9Confident47 Ų4770.7 Ų70.724%0.24137%0.372CS..Hα-helixtrans-70-43.6177.9-55.7173.2000109.7W2 H3 E33 K38 L39 Y40W2-I36 HydrophobicContact CH2-CB 4.39Å; W2-I36 HydrophobicContact CH2-CG2 3.67Å; W2-I36 HydrophobicContact CZ2-CB 4.36Å; W2-I36 HydrophobicContact CZ2-CG2 3.8Å; W2-I36 HydrophobicContact CZ3-CG2 4.31Å; H3-I36 HydrophobicContact CB-CG2 3.58Å; E33-I36 WeakPolarHBondContact O-CA 3.42Å; E33-I36 WeakPolarHBondContact O-CB 3.47Å; E33-I36 PolarHBondContact O-N 3.28Å; I36-K38 VanDerWaalsContact C-N 3.27Å; I36-K38 PolarHBondContact O-N 2.8Å; I36-L39 WeakPolarHBondContact O-CA 3.17Å; I36-L39 WeakPolarHBondContact O-CB 3.27Å; I36-L39 PolarHBondContact O-N 3.04Å; I36-Y40 PolarHBondContact O-N 2.91Å
37F91.7Very high89.9Confident1 Ų171.6 Ų71.60%0.00438%0.377CS..Hα-helixtrans-56.2-40.4174.6179.6-106.1000112.2L19 A23 I29 E33 F34 L39 Y40 I41 L52 I102L19-F37 HydrophobicContact CB-CD2 4.43Å; L19-F37 HydrophobicContact CB-CE2 4.08Å; L19-F37 HydrophobicContact CD2-CD2 4.28Å; A23-F37 HydrophobicContact CB-CE1 3.84Å; A23-F37 HydrophobicContact CB-CE2 4.45Å; A23-F37 HydrophobicContact CB-CZ 3.54Å; I29-F37 HydrophobicContact CD1-CD2 4.18Å; I29-F37 HydrophobicContact CD1-CE2 4.42Å; I29-F37 HydrophobicContact CD1-CG 4.35Å; I29-F37 HydrophobicContact CG2-CB 4.42Å; E33-F37 PolarHBondContact O-N 3.37Å; F34-F37 AromaticContact CD2-CD1 3.98Å; F34-F37 HydrophobicContact CD2-CD1 3.98Å; F34-F37 AromaticContact CE2-CD1 3.87Å; F34-F37 HydrophobicContact CE2-CD1 3.87Å; F34-F37 HydrophobicContact CE2-CE1 4.33Å; F34-F37 PolarHBondContact O-N 3.33Å; F37-L39 VanDerWaalsContact C-N 3.27Å; F37-L39 PolarHBondContact O-N 2.9Å; F37-Y40 HydrophobicContact CD2-CD1 4.02Å; F37-Y40 HydrophobicContact CE2-CD1 4.02Å; F37-Y40 HydrophobicContact CE2-CE1 4.49Å; F37-Y40 WeakPolarHBondContact O-CB 3.44Å; F37-Y40 PolarHBondContact O-N 3.29Å; F37-I41 HydrophobicContact CD1-CG2 4.19Å; F37-I41 HydrophobicContact CD2-CG2 4.19Å; F37-I41 HydrophobicContact CE1-CD1 4.43Å; F37-I41 HydrophobicContact CE1-CG2 3.68Å; F37-I41 HydrophobicContact CE2-CG2 3.68Å; F37-I41 HydrophobicContact CG-CG2 4.43Å; F37-I41 HydrophobicContact CZ-CG2 3.41Å; F37-I41 VanDerWaalsContact CZ-CG2 3.41Å; F37-I41 WeakPolarHBondContact O-CG2 3.47Å; F37-I41 PolarHBondContact O-N 3.27Å; F37-L52 HydrophobicContact CZ-CD1 4.4Å; F37-L52 HydrophobicContact CZ-CD2 4.18Å; F37-I102 HydrophobicContact CE1-CD1 3.97Å; F37-I102 HydrophobicContact CE1-CG1 4.21Å
38K91.7Very high90Very high79 Ų7963.4 Ų63.434%0.34334%0.344SS..Hα-helixtrans-60.5-33.8173.7-76.9-172-60.9170.50113.3F34 R35 I36 I41 K42 V105F34-K38 HydrophobicContact CD1-CD 4.28Å; F34-K38 HydrophobicContact CD1-CG 4.24Å; F34-K38 HydrophobicContact CE1-CD 3.9Å; F34-K38 HydrophobicContact CE1-CG 3.92Å; F34-K38 HydrophobicContact CZ-CG 4.29Å; F34-K38 WeakPolarHBondContact O-CG 3.39Å; F34-K38 PolarHBondContact O-N 3.32Å; R35-K38 PolarHBondContact O-N 3.4Å; I36-K38 VanDerWaalsContact C-N 3.27Å; I36-K38 PolarHBondContact O-N 2.8Å; K38-I41 WeakPolarHBondContact O-CG1 3.35Å; K38-K42 WeakPolarHBondContact O-CG 3.2Å; K38-V105 HydrophobicContact CB-CG2 4.42Å; K38-V105 HydrophobicContact CD-CG2 3.97Å; K38-V105 HydrophobicContact CG-CG2 4.11Å
39L89.2Confident90Very high97 Ų9761.4 Ų61.451%0.50833%0.331SS..Hα-helixtrans-72.1-41.6175.1-65.5172.5000110.5R35 I36 F37 I41 K42R35-L39 PolarHBondContact O-N 2.88Å; I36-L39 WeakPolarHBondContact O-CA 3.17Å; I36-L39 WeakPolarHBondContact O-CB 3.27Å; I36-L39 PolarHBondContact O-N 3.04Å; F37-L39 VanDerWaalsContact C-N 3.27Å; F37-L39 PolarHBondContact O-N 2.9Å; L39-I41 PolarHBondContact O-N 2.96Å; L39-K42 WeakPolarHBondContact O-CB 3.37Å; L39-K42 PolarHBondContact O-N 3.17Å
40Y89.6Confident90.1Very high7 Ų767.1 Ų67.13%0.02736%0.358CS..Hα-helixtrans-55.5-51.6175.5169.2-118.9000112.5W2 W9 F11 Q16 L19 I36 F37 K42 G43 L44W2-Y40 HydrophobicContact CZ3-CG 4.46Å; W9-Y40 AromaticContact CH2-CD2 3.37Å; W9-Y40 HydrophobicContact CH2-CD2 3.37Å; W9-Y40 HydrophobicContact CH2-CE2 4.13Å; W9-Y40 HydrophobicContact CH2-CG 4.25Å; W9-Y40 HydrophobicContact CZ2-CD2 4.32Å; W9-Y40 AromaticContact CZ3-CD2 3.49Å; W9-Y40 HydrophobicContact CZ3-CD2 3.49Å; W9-Y40 VanDerWaalsContact CZ3-CD2 3.49Å; W9-Y40 AromaticContact CZ3-CE2 3.93Å; W9-Y40 HydrophobicContact CZ3-CE2 3.93Å; F11-Y40 HydrophobicContact CD1-CE2 4.38Å; F11-Y40 HydrophobicContact CE1-CD2 4.3Å; F11-Y40 AromaticContact CE1-CE2 3.37Å; F11-Y40 HydrophobicContact CE1-CE2 3.37Å; F11-Y40 AromaticContact CZ-CE2 3.74Å; F11-Y40 HydrophobicContact CZ-CE2 3.74Å; Q16-Y40 WeakPolarHBondContact CB-OH 3.23Å; Q16-Y40 WeakPolarHBondContact CG-OH 3.44Å; Q16-Y40 PolarHBondContact NE2-OH 3.46Å; L19-Y40 HydrophobicContact CD1-CD1 4.18Å; L19-Y40 HydrophobicContact CD1-CE1 4.05Å; I36-Y40 PolarHBondContact O-N 2.91Å; F37-Y40 HydrophobicContact CD2-CD1 4.02Å; F37-Y40 HydrophobicContact CE2-CD1 4.02Å; F37-Y40 HydrophobicContact CE2-CE1 4.49Å; F37-Y40 WeakPolarHBondContact O-CB 3.44Å; F37-Y40 PolarHBondContact O-N 3.29Å; Y40-K42 PolarHBondContact O-N 2.84Å; Y40-K42 VanDerWaalsContact O-N 3.14Å; Y40-G43 PolarHBondContact O-N 3.3Å; Y40-G43 VanDerWaalsContact O-N 3.17Å; Y40-L44 HydrophobicContact CE1-CD1 4.31Å
41I91.5Very high90.2Very high0 Ų066.9 Ų66.90%035%0.353CS..G310 helixtrans-68-15.6-174.764.8174.3000113.9F37 K38 L39 G43 L44 L52 I102 V105 L106F37-I41 HydrophobicContact CD1-CG2 4.19Å; F37-I41 HydrophobicContact CD2-CG2 4.19Å; F37-I41 HydrophobicContact CE1-CD1 4.43Å; F37-I41 HydrophobicContact CE1-CG2 3.68Å; F37-I41 HydrophobicContact CE2-CG2 3.68Å; F37-I41 HydrophobicContact CG-CG2 4.43Å; F37-I41 HydrophobicContact CZ-CG2 3.41Å; F37-I41 VanDerWaalsContact CZ-CG2 3.41Å; F37-I41 WeakPolarHBondContact O-CG2 3.47Å; F37-I41 PolarHBondContact O-N 3.27Å; K38-I41 WeakPolarHBondContact O-CG1 3.35Å; L39-I41 PolarHBondContact O-N 2.96Å; I41-G43 VanDerWaalsContact C-N 3.25Å; I41-G43 PolarHBondContact O-N 3.3Å; I41-L44 HydrophobicContact CG2-CD2 4.45Å; I41-L44 VanDerWaalsContact O-CB 3.27Å; I41-L44 WeakPolarHBondContact O-CB 3.29Å; I41-L44 PolarHBondContact O-N 3.12Å; I41-L52 HydrophobicContact CB-CD2 4.18Å; I41-L52 HydrophobicContact CG2-CD2 3.61Å; I41-I102 HydrophobicContact CD1-CB 4.44Å; I41-I102 HydrophobicContact CD1-CG1 4.48Å; I41-I102 HydrophobicContact CD1-CG2 3.91Å; I41-V105 HydrophobicContact CD1-CB 3.94Å; I41-V105 HydrophobicContact CD1-CG1 3.8Å; I41-V105 HydrophobicContact CG1-CG1 3.82Å; I41-L106 HydrophobicContact CB-CD2 4.24Å; I41-L106 HydrophobicContact CD1-CD2 4.48Å
42K89.2Confident90.4Very high113 Ų11363.7 Ų63.749%0.49133%0.331SS..G310 helixtrans-65.4-31.2175-72.1-179.7174.9-1700112.4K38 L39 Y40 V105 T109K38-K42 WeakPolarHBondContact O-CG 3.2Å; L39-K42 WeakPolarHBondContact O-CB 3.37Å; L39-K42 PolarHBondContact O-N 3.17Å; Y40-K42 PolarHBondContact O-N 2.84Å; Y40-K42 VanDerWaalsContact O-N 3.14Å; K42-V105 HydrophobicContact CG-CG1 3.71Å; K42-T109 HydrophobicContact CB-CG2 3.88Å; K42-T109 HydrophobicContact CG-CG2 3.79Å
43G86.1Confident90.6Very high63 Ų6362.3 Ų62.365%0.64932%0.317SS*.G310 helixtrans-94.611.2175.600000113.6Y40 I41Y40-G43 PolarHBondContact O-N 3.3Å; Y40-G43 VanDerWaalsContact O-N 3.17Å; I41-G43 VanDerWaalsContact C-N 3.25Å; I41-G43 PolarHBondContact O-N 3.3Å
44L88.6Confident90.7Very high7 Ų762.6 Ų62.64%0.03733%0.327CS..  trans-80.5126.6-177.7-160.766.1000110.1I20 Y40 I41 A48 R49 L52I20-L44 HydrophobicContact CD1-CD2 4.31Å; Y40-L44 HydrophobicContact CE1-CD1 4.31Å; I41-L44 HydrophobicContact CG2-CD2 4.45Å; I41-L44 VanDerWaalsContact O-CB 3.27Å; I41-L44 WeakPolarHBondContact O-CB 3.29Å; I41-L44 PolarHBondContact O-N 3.12Å; L44-A48 HydrophobicContact CD1-CB 3.62Å; L44-A48 HydrophobicContact CD2-CB 4.32Å; L44-A48 WeakPolarHBondContact CD2-O 3.49Å; L44-A48 HydrophobicContact CG-CB 3.96Å; L44-R49 HydrophobicContact CB-CB 4.45Å; L44-R49 HydrophobicContact CD2-CB 4.38Å; L44-R49 HydrophobicContact CG-CB 4.15Å; L44-R49 WeakPolarHBondContact O-CD 3.17Å; L44-L52 HydrophobicContact CD2-CB 4.34Å; L44-L52 HydrophobicContact CD2-CD2 3.92Å
45V87.4Confident90.7Very high116 Ų11664.5 Ų64.570%0.70334%0.336SS*.  trans-129.8165.1-177.8-64.10000111.4
46G89.7Confident90.8Very high48 Ų4855.4 Ų55.450%0.49530%0.302SS..Hα-helixtrans62.4-144.4175.200000114.2A48 R49 Q50G46-A48 VanDerWaalsContact C-N 3.29Å; G46-A48 PolarHBondContact O-N 3.41Å; G46-R49 WeakPolarHBondContact O-CB 3.43Å; G46-R49 PolarHBondContact O-N 2.78Å; G46-R49 VanDerWaalsContact O-N 3.14Å; G46-Q50 PolarHBondContact O-N 2.79Å
47Y90.5Very high91Very high177 Ų17755.3 Ų55.369%0.69431%0.305SS*.Hα-helixtrans-57.4-39.1-174.6-178.4-101.4000113.2R49 Q50 D51Y47-R49 VanDerWaalsContact C-N 3.27Å; Y47-R49 PolarHBondContact O-N 3.48Å; Y47-Q50 PolarHBondContact O-N 2.92Å; Y47-Q50 VanDerWaalsContact O-N 3.13Å; Y47-D51 HydrophobicContact CE1-CB 4.31Å; Y47-D51 WeakPolarHBondContact O-CB 3.35Å; Y47-D51 PolarHBondContact O-N 3.16Å
48A89.7Confident90.9Very high10 Ų1061.2 Ų61.28%0.08333%0.331CS..Hα-helixtrans-61.5-36.9-179.500000112.4Q16 I20 L44 G46 L52Q16-A48 HydrophobicContact CG-CB 4.47Å; I20-A48 HydrophobicContact CD1-CB 3.66Å; L44-A48 HydrophobicContact CD1-CB 3.62Å; L44-A48 HydrophobicContact CD2-CB 4.32Å; L44-A48 WeakPolarHBondContact CD2-O 3.49Å; L44-A48 HydrophobicContact CG-CB 3.96Å; G46-A48 VanDerWaalsContact C-N 3.29Å; G46-A48 PolarHBondContact O-N 3.41Å; A48-L52 WeakPolarHBondContact O-CB 3.28Å; A48-L52 PolarHBondContact O-N 3.13Å
49R91.9Very high90.8Very high47 Ų4758.8 Ų58.818%0.17732%0.323CS..Hα-helixtrans-68.7-44.2174.2-177.4-177.6172.696.5-2.6111.1L44 G46 Y47 L52 L53 L106 T109L44-R49 HydrophobicContact CB-CB 4.45Å; L44-R49 HydrophobicContact CD2-CB 4.38Å; L44-R49 HydrophobicContact CG-CB 4.15Å; L44-R49 WeakPolarHBondContact O-CD 3.17Å; G46-R49 WeakPolarHBondContact O-CB 3.43Å; G46-R49 PolarHBondContact O-N 2.78Å; G46-R49 VanDerWaalsContact O-N 3.14Å; Y47-R49 VanDerWaalsContact C-N 3.27Å; Y47-R49 PolarHBondContact O-N 3.48Å; R49-L52 PolarHBondContact O-N 3.31Å; R49-L53 HydrophobicContact CG-CD1 4.22Å; R49-L53 VanDerWaalsContact O-CG 3.32Å; R49-L53 WeakPolarHBondContact O-CG 3.46Å; R49-L53 PolarHBondContact O-N 3.29Å; R49-L106 HydrophobicContact CG-CD2 4.32Å; R49-L106 PolarHBondContact NH2-O 3.31Å; R49-T109 PolarHBondContact NH1-OG1 3.35Å
50Q92.6Very high90.7Very high126 Ų12655.8 Ų55.859%0.58931%0.307SS*.Hα-helixtrans-64.1-42.7179.3-67.2175.6-0.300112.1G46 Y47 L53 S54G46-Q50 PolarHBondContact O-N 2.79Å; Y47-Q50 PolarHBondContact O-N 2.92Å; Y47-Q50 VanDerWaalsContact O-N 3.13Å; Q50-L53 PolarHBondContact O-N 3.14Å; Q50-S54 WeakPolarHBondContact O-CB 3.43Å; Q50-S54 PolarHBondContact O-N 3.04Å
51D93.3Very high90.5Very high46 Ų4661.9 Ų61.925%0.24634%0.336CS..Hα-helixtrans-59.7-47.6175.7-179.436.5000111I20 Y47 L53 S54 Q55I20-D51 HydrophobicContact CG2-CB 4.45Å; I20-D51 WeakPolarHBondContact CG2-OD2 3.44Å; Y47-D51 HydrophobicContact CE1-CB 4.31Å; Y47-D51 WeakPolarHBondContact O-CB 3.35Å; Y47-D51 PolarHBondContact O-N 3.16Å; D51-L53 PolarHBondContact O-N 3.05Å; D51-S54 PolarHBondContact O-N 3.19Å; D51-Q55 WeakPolarHBondContact O-CG 3.35Å; D51-Q55 PolarHBondContact O-N 3.41Å; D51-Q55 PolarHBondContact OD1-NE2 3.1Å; D51-Q55 PolarHBondContact OD2-NE2 2.91Å; D51-Q55 VanDerWaalsContact OD2-NE2 3.1Å
52L94Very high89.8Confident0 Ų065.9 Ų65.90%035%0.354CS..Hα-helixtrans-63-40.6176.7-176.459.9000112.7I20 A23 F37 I41 L44 A48 R49 C56 I102 L106I20-L52 HydrophobicContact CG2-CB 4.06Å; I20-L52 HydrophobicContact CG2-CD1 4.3Å; A23-L52 HydrophobicContact CB-CD1 3.63Å; F37-L52 HydrophobicContact CZ-CD1 4.4Å; F37-L52 HydrophobicContact CZ-CD2 4.18Å; I41-L52 HydrophobicContact CB-CD2 4.18Å; I41-L52 HydrophobicContact CG2-CD2 3.61Å; L44-L52 HydrophobicContact CD2-CB 4.34Å; L44-L52 HydrophobicContact CD2-CD2 3.92Å; A48-L52 WeakPolarHBondContact O-CB 3.28Å; A48-L52 PolarHBondContact O-N 3.13Å; R49-L52 PolarHBondContact O-N 3.31Å; L52-C56 WeakPolarHBondContact O-CB 3.35Å; L52-C56 PolarHBondContact O-N 2.82Å; L52-C56 PolarHBondContact O-SG 2.96Å; L52-I102 HydrophobicContact CD1-CD1 4.39Å; L52-I102 HydrophobicContact CD1-CG2 4.16Å; L52-I102 HydrophobicContact CD2-CG2 3.75Å; L52-I102 HydrophobicContact CG-CG2 3.85Å; L52-L106 HydrophobicContact CD2-CD1 4.11Å; L52-L106 HydrophobicContact CG-CD1 4.24Å
53L93.9Very high88.4Confident54 Ų5466.2 Ų66.228%0.28336%0.358SS..Hα-helixtrans-61.4-49174.7-76170.9000111R49 Q50 D51 Q55 C56 S57 L103 L106R49-L53 HydrophobicContact CG-CD1 4.22Å; R49-L53 VanDerWaalsContact O-CG 3.32Å; R49-L53 WeakPolarHBondContact O-CG 3.46Å; R49-L53 PolarHBondContact O-N 3.29Å; Q50-L53 PolarHBondContact O-N 3.14Å; D51-L53 PolarHBondContact O-N 3.05Å; L53-Q55 PolarHBondContact O-N 3.1Å; L53-C56 PolarHBondContact O-N 3.43Å; L53-S57 PolarHBondContact O-N 2.83Å; L53-S57 PolarHBondContact O-OG 3.32Å; L53-L103 HydrophobicContact CD2-CD2 3.52Å; L53-L106 HydrophobicContact CD2-CB 4.1Å; L53-L106 HydrophobicContact CD2-CD1 3.5Å; L53-L106 VanDerWaalsContact CD2-CD1 3.5Å; L53-L106 HydrophobicContact CD2-CG 4.45Å; L53-L106 HydrophobicContact CG-CD1 3.86Å
54S92.8Very high86.7Confident77 Ų7768.5 Ų68.554%0.53836%0.359SS..Hα-helixtrans-58.4-47.1179.6-178.80000111.7Q50 D51 C56 S57 K58Q50-S54 WeakPolarHBondContact O-CB 3.43Å; Q50-S54 PolarHBondContact O-N 3.04Å; D51-S54 PolarHBondContact O-N 3.19Å; S54-C56 VanDerWaalsContact C-N 3.33Å; S54-C56 PolarHBondContact O-N 3.08Å; S54-S57 PolarHBondContact O-N 3.45Å; S54-K58 WeakPolarHBondContact O-CB 3.2Å; S54-K58 PolarHBondContact O-N 3.35Å
55Q92.1Very high85Confident49 Ų4975 Ų7523%0.22939%0.394CS..Hα-helixtrans-61.6-40.3176.7-70.7178.948.900112.5I20 D51 L53 T59I20-Q55 PolarHBondContact O-OE1 3.21Å; D51-Q55 WeakPolarHBondContact O-CG 3.35Å; D51-Q55 PolarHBondContact O-N 3.41Å; D51-Q55 PolarHBondContact OD1-NE2 3.1Å; D51-Q55 PolarHBondContact OD2-NE2 2.91Å; D51-Q55 VanDerWaalsContact OD2-NE2 3.1Å; L53-Q55 PolarHBondContact O-N 3.1Å; Q55-T59 WeakPolarHBondContact O-CB 3.49Å; Q55-T59 PolarHBondContact O-N 3.03Å; Q55-T59 PolarHBondContact O-OG1 3.18Å
56C92.9Very high83.3Confident0 Ų071.5 Ų71.50%038%0.382CS..Hα-helixtrans-67-44.5177.2-70.50000112.1L52 L53 S54 T59 I60 A99 L103L52-C56 WeakPolarHBondContact O-CB 3.35Å; L52-C56 PolarHBondContact O-N 2.82Å; L52-C56 PolarHBondContact O-SG 2.96Å; L53-C56 PolarHBondContact O-N 3.43Å; S54-C56 VanDerWaalsContact C-N 3.33Å; S54-C56 PolarHBondContact O-N 3.08Å; C56-T59 PolarHBondContact O-N 3.2Å; C56-I60 WeakPolarHBondContact O-CD1 3.43Å; C56-I60 VanDerWaalsContact O-CG1 3.28Å; C56-I60 WeakPolarHBondContact O-CG1 3.5Å; C56-I60 PolarHBondContact O-N 2.95Å; C56-I60 VanDerWaalsContact O-N 3.12Å; C56-A99 HydrophobicContact CB-CB 3.98Å; C56-L103 HydrophobicContact CB-CD1 4.37Å; C56-L103 HydrophobicContact CB-CD2 3.73Å; C56-L103 HydrophobicContact CB-CG 3.86Å
57S91.7Very high81.6Confident45 Ų4573.8 Ų73.832%0.31538%0.382SS..Hα-helixtrans-62.3-49.3176.8-63.70000110.8L53 S54 T59 I60 E61L53-S57 PolarHBondContact O-N 2.83Å; L53-S57 PolarHBondContact O-OG 3.32Å; S54-S57 PolarHBondContact O-N 3.45Å; S57-T59 VanDerWaalsContact C-N 3.32Å; S57-T59 PolarHBondContact O-N 2.86Å; S57-I60 CarbonylContact O-C 3.57Å; S57-I60 WeakPolarHBondContact O-CA 3.46Å; S57-I60 PolarHBondContact O-N 2.86Å; S57-E61 WeakPolarHBondContact O-CB 3.49Å; S57-E61 WeakPolarHBondContact O-CG 3.42Å; S57-E61 PolarHBondContact O-N 3.07Å
58K90.7Very high79.8Confident125 Ų12573.2 Ų73.254%0.54339%0.385SS..Hα-helixtrans-55.1-46.6177.2-164.3-169.5-175.8-154.30111.9S54 I60 E61 E62S54-K58 WeakPolarHBondContact O-CB 3.2Å; S54-K58 PolarHBondContact O-N 3.35Å; K58-I60 PolarHBondContact O-N 3.28Å; K58-E61 PolarHBondContact O-N 3.05Å; K58-E62 VanDerWaalsContact CD-OE1 3.32Å; K58-E62 WeakPolarHBondContact CD-OE1 3.39Å; K58-E62 WeakPolarHBondContact CE-OE1 3.44Å; K58-E62 HydrophobicContact CG-CG 4.2Å; K58-E62 WeakPolarHBondContact CG-OE1 3.41Å; K58-E62 IonicContact NZ-OE1 3.25Å; K58-E62 PolarHBondContact NZ-OE1 3.45Å; K58-E62 WeakPolarHBondContact O-CB 3.32Å; K58-E62 VanDerWaalsContact O-CG 3.23Å; K58-E62 WeakPolarHBondContact O-CG 3.46Å; K58-E62 PolarHBondContact O-N 3.49Å
59T88.9Confident77.8Confident28 Ų2875.5 Ų75.517%0.17240%0.399CS..Hα-helixtrans-65.5-26.8178.3-57.20000113.2L24 Q55 C56 S57 A95L24-T59 HydrophobicContact CD1-CG2 4.03Å; L24-T59 WeakPolarHBondContact CD1-OG1 3.39Å; Q55-T59 WeakPolarHBondContact O-CB 3.49Å; Q55-T59 PolarHBondContact O-N 3.03Å; Q55-T59 PolarHBondContact O-OG1 3.18Å; C56-T59 PolarHBondContact O-N 3.2Å; S57-T59 VanDerWaalsContact C-N 3.32Å; S57-T59 PolarHBondContact O-N 2.86Å; T59-A95 HydrophobicContact CG2-CB 4.01Å
60I87.7Confident76Confident34 Ų3478 Ų7817%0.17442%0.415CS..Hα-helixtrans-82.1-33.8175.8-69.2167.7000111C56 S57 K58 Q63 R96 A99 K100 L103C56-I60 WeakPolarHBondContact O-CD1 3.43Å; C56-I60 VanDerWaalsContact O-CG1 3.28Å; C56-I60 WeakPolarHBondContact O-CG1 3.5Å; C56-I60 PolarHBondContact O-N 2.95Å; C56-I60 VanDerWaalsContact O-N 3.12Å; S57-I60 CarbonylContact O-C 3.57Å; S57-I60 WeakPolarHBondContact O-CA 3.46Å; S57-I60 PolarHBondContact O-N 2.86Å; K58-I60 PolarHBondContact O-N 3.28Å; I60-Q63 VanDerWaalsContact O-CG 3.3Å; I60-Q63 WeakPolarHBondContact O-CG 3.47Å; I60-Q63 PolarHBondContact O-OE1 3.14Å; I60-R96 HydrophobicContact CG1-CG 4.22Å; I60-A99 HydrophobicContact CD1-CB 3.89Å; I60-A99 HydrophobicContact CG1-CB 3.84Å; I60-K100 HydrophobicContact CD1-CG 3.92Å; I60-K100 HydrophobicContact CG1-CG 4.42Å; I60-L103 HydrophobicContact CD1-CD1 3.41Å; I60-L103 VanDerWaalsContact CD1-CD1 3.41Å; I60-L103 HydrophobicContact CD1-CG 4.44Å
61E85.1Confident74.2Confident135 Ų13576 Ų7663%0.63141%0.412SS*.Hα-helixtrans-80.5-32.1-179.2-74.5171.6-162.700113.8S57 K58 Q63S57-E61 WeakPolarHBondContact O-CB 3.49Å; S57-E61 WeakPolarHBondContact O-CG 3.42Å; S57-E61 PolarHBondContact O-N 3.07Å; K58-E61 PolarHBondContact O-N 3.05Å; E61-Q63 PolarHBondContact O-N 3Å
62E77.3Confident72.4Confident84 Ų8481.2 Ų81.239%0.39344%0.435SS..THydrogen-bonded Turntrans-57.67.9176.5-81171.5-179.400114.3K58 T64K58-E62 VanDerWaalsContact CD-OE1 3.32Å; K58-E62 WeakPolarHBondContact CD-OE1 3.39Å; K58-E62 WeakPolarHBondContact CE-OE1 3.44Å; K58-E62 HydrophobicContact CG-CG 4.2Å; K58-E62 WeakPolarHBondContact CG-OE1 3.41Å; K58-E62 IonicContact NZ-OE1 3.25Å; K58-E62 PolarHBondContact NZ-OE1 3.45Å; K58-E62 WeakPolarHBondContact O-CB 3.32Å; K58-E62 VanDerWaalsContact O-CG 3.23Å; K58-E62 WeakPolarHBondContact O-CG 3.46Å; K58-E62 PolarHBondContact O-N 3.49Å; E62-T64 PolarHBondContact O-N 2.95Å
63Q58.9Low70.6Confident120 Ų12085.3 Ų85.356%0.56146%0.456SS*.THydrogen-bonded Turntrans-62.4-7.4167.5-73.7-165.2-86.200115.3I60 E61 R96I60-Q63 VanDerWaalsContact O-CG 3.3Å; I60-Q63 WeakPolarHBondContact O-CG 3.47Å; I60-Q63 PolarHBondContact O-OE1 3.14Å; E61-Q63 PolarHBondContact O-N 3Å; Q63-R96 VanDerWaalsContact CD-NH2 3.28Å
64T51.8Low68.7Low110 Ų11086 Ų8668%0.67546%0.463SS*.THydrogen-bonded Turntrans-105-34.1-174.959.20000115.1E62E62-T64 PolarHBondContact O-N 2.95Å
65D52.6Low67.1Low143 Ų14388.7 Ų88.777%0.76547%0.471SS*.THydrogen-bonded Turntrans-135.4-3.4-162.6-69.1-61.4000117.7
66G50.5Low65.6Low44 Ų4496.1 Ų96.145%0.45450%0.497SS..  trans-107.419.3-155.500000119.9E68G66-E68 PolarHBondContact O-N 3.01Å
67L53.9Low64.1Low95 Ų9599.7 Ų99.750%0.49753%0.534SS..  trans-80.351.1172.3-96.3140.8000110.8T69 I85L67-T69 VanDerWaalsContact C-N 3.28Å; L67-T69 PolarHBondContact O-N 3.38Å; L67-I85 HydrophobicContact CD2-CG2 4.5Å
68E53.3Low62.6Low165 Ų165103.7 Ų103.777%0.77155%0.552SS**  trans-70.795.8163.4-71.7-170.317300107.3G66 N70G66-E68 PolarHBondContact O-N 3.01Å; E68-N70 PolarHBondContact O-N 2.83Å; E68-N70 VanDerWaalsContact O-N 3.12Å
69T48.7Very low61.4Low59 Ų59102.5 Ų102.536%0.36255%0.549SS..  trans-47.3117.7166.744.50000108.1L67 T71L67-T69 VanDerWaalsContact C-N 3.28Å; L67-T69 PolarHBondContact O-N 3.38Å; T69-T71 PolarHBondContact O-N 3.38Å; T69-T71 PolarHBondContact O-OG1 2.88Å; T69-T71 VanDerWaalsContact O-OG1 3.13Å
70N54Low60.8Low98 Ų98104.6 Ų104.652%0.52457%0.565SS.*  trans-61.387.2161.9-86.4-92.2000107.4E68 E72 L73E68-N70 PolarHBondContact O-N 2.83Å; E68-N70 VanDerWaalsContact O-N 3.12Å; N70-E72 PolarHBondContact O-N 3.3Å; N70-L73 PolarHBondContact O-N 3.21Å; N70-L73 VanDerWaalsContact O-N 3.16Å
71T53.2Low60.2Low86 Ų86107 Ų10753%0.52858%0.578SS.*THydrogen-bonded Turntrans-58.9-16.2-178.6-520000111.8T69 L73 V74 N75T69-T71 PolarHBondContact O-N 3.38Å; T69-T71 PolarHBondContact O-OG1 2.88Å; T69-T71 VanDerWaalsContact O-OG1 3.13Å; T71-L73 VanDerWaalsContact C-N 3.32Å; T71-L73 PolarHBondContact O-N 3.37Å; T71-V74 PolarHBondContact O-N 3.47Å; T71-N75 PolarHBondContact O-ND2 2.96Å
72E56.3Low59.9Low154 Ų154106.5 Ų106.572%0.7258%0.579SS**THydrogen-bonded Turntrans-67-25.8176-62.9-173.5160.700114.3N70N70-E72 PolarHBondContact O-N 3.3Å
73L55.2Low60.1Low86 Ų86105.9 Ų105.945%0.4558%0.579SS.*THydrogen-bonded Turntrans-81.6-24.7-179.8-67.1175.4000113.3N70 T71 N75 I84N70-L73 PolarHBondContact O-N 3.21Å; N70-L73 VanDerWaalsContact O-N 3.16Å; T71-L73 VanDerWaalsContact C-N 3.32Å; T71-L73 PolarHBondContact O-N 3.37Å; L73-N75 VanDerWaalsContact C-N 3.29Å; L73-N75 PolarHBondContact O-N 3.08Å; L73-I84 HydrophobicContact CB-CD1 4.41Å
74V55Low61Low68 Ų68100.7 Ų100.741%0.41256%0.555SS.*G310 helixtrans-71-28.6-178.7-178.50000111.4T71 R76 L81 I84T71-V74 PolarHBondContact O-N 3.47Å; V74-R76 VanDerWaalsContact C-N 3.26Å; V74-R76 PolarHBondContact O-N 3.33Å; V74-L81 HydrophobicContact CG2-CD1 4Å; V74-I84 HydrophobicContact CG2-CD1 4.29Å
75N58.4Low62.2Low134 Ų13497.3 Ų97.372%0.71753%0.532SS*.G310 helixtrans-76.5-4.9-175.5-68.2-35.4000114.6T71 L73T71-N75 PolarHBondContact O-ND2 2.96Å; L73-N75 VanDerWaalsContact C-N 3.29Å; L73-N75 PolarHBondContact O-N 3.08Å
76R62.1Low63.5Low206 Ų20691.9 Ų91.978%0.77751%0.51SS*.G310 helixtrans-99.811.5-177.1-74.5-173.6178.1175.31.3115.1V74 D78V74-R76 VanDerWaalsContact C-N 3.26Å; V74-R76 PolarHBondContact O-N 3.33Å; R76-D78 PolarHBondContact O-N 3.42Å
77G59.7Low64.7Low75 Ų7594.5 Ų94.577%0.77351%0.51SS*.SBendtrans70.4-8.6169.400000116.2
78D62.2Low65.8Low129 Ų12991.3 Ų91.369%0.6949%0.493SS*.  trans-109113.1179.7-70.5-34.3000110R76R76-D78 PolarHBondContact O-N 3.42Å
79M64.2Low67Low99 Ų9989.4 Ų89.449%0.48848%0.482SS..SBendtrans99.9124.8177.6-55.7-177.1-73.200116.3I84M79-I84 HydrophobicContact CB-CD1 4.3Å; M79-I84 HydrophobicContact CB-CG1 4.06Å; M79-I84 HydrophobicContact CE-CG1 4.48Å
80S77Confident68.5Low72 Ų7292.3 Ų92.350%0.50350%0.495SS..  trans-58.5138.8168.21720000110.9D82 N83 I84S80-D82 PolarHBondContact O-N 2.96Å; S80-D82 VanDerWaalsContact O-N 3.14Å; S80-D82 PolarHBondContact OG-N 2.96Å; S80-N83 WeakPolarHBondContact O-CA 3.5Å; S80-N83 WeakPolarHBondContact O-CB 3.31Å; S80-N83 PolarHBondContact O-N 2.99Å; S80-I84 PolarHBondContact O-N 2.66Å; S80-I84 VanDerWaalsContact O-N 3.14Å
81L75.1Confident69.7Low84 Ų8494 Ų9444%0.4450%0.497SS..Hα-helixtrans-50.4-37.8175.2-177.963.2000111.6V74 N83 I84 I85V74-L81 HydrophobicContact CG2-CD1 4Å; L81-N83 VanDerWaalsContact C-N 3.33Å; L81-N83 PolarHBondContact O-N 2.77Å; L81-I84 PolarHBondContact O-N 2.98Å; L81-I85 HydrophobicContact CD1-CD1 4.11Å; L81-I85 HydrophobicContact CD1-CG1 4.33Å; L81-I85 HydrophobicContact CD2-CD1 4.39Å; L81-I85 HydrophobicContact CG-CD1 3.77Å; L81-I85 HydrophobicContact CG-CG1 4.4Å; L81-I85 WeakPolarHBondContact O-CB 3.33Å; L81-I85 VanDerWaalsContact O-CG1 3.27Å; L81-I85 WeakPolarHBondContact O-CG1 3.47Å; L81-I85 PolarHBondContact O-N 3.28Å
82D78.8Confident70.9Confident125 Ų12595.1 Ų95.167%0.66849%0.493SS*.Hα-helixtrans-62.8-38.6177.7-65.7-37.3000112.6S80 G86S80-D82 PolarHBondContact O-N 2.96Å; S80-D82 VanDerWaalsContact O-N 3.14Å; S80-D82 PolarHBondContact OG-N 2.96Å; D82-G86 PolarHBondContact O-N 2.87Å
83N80.9Confident72.2Confident72 Ų7290.1 Ų90.139%0.38547%0.474SS..Hα-helixtrans-69-41.8176.1-176.534.8000110.7S80 L81 G86 Q87S80-N83 WeakPolarHBondContact O-CA 3.5Å; S80-N83 WeakPolarHBondContact O-CB 3.31Å; S80-N83 PolarHBondContact O-N 2.99Å; L81-N83 VanDerWaalsContact C-N 3.33Å; L81-N83 PolarHBondContact O-N 2.77Å; N83-G86 PolarHBondContact O-N 3.31Å; N83-Q87 WeakPolarHBondContact O-CB 3.12Å; N83-Q87 VanDerWaalsContact O-CG 3.3Å; N83-Q87 WeakPolarHBondContact O-CG 3.08Å; N83-Q87 PolarHBondContact O-N 2.89Å; N83-Q87 PolarHBondContact OD1-NE2 2.96Å
84I77.1Confident73.8Confident10 Ų1087.6 Ų87.65%0.05147%0.466CS..Hα-helixtrans-61-49.9177.2-63.5172.5000110.1L73 V74 M79 S80 L81 G86 Q87 Q88L73-I84 HydrophobicContact CB-CD1 4.41Å; V74-I84 HydrophobicContact CG2-CD1 4.29Å; M79-I84 HydrophobicContact CB-CD1 4.3Å; M79-I84 HydrophobicContact CB-CG1 4.06Å; M79-I84 HydrophobicContact CE-CG1 4.48Å; S80-I84 PolarHBondContact O-N 2.66Å; S80-I84 VanDerWaalsContact O-N 3.14Å; L81-I84 PolarHBondContact O-N 2.98Å; I84-G86 VanDerWaalsContact C-N 3.32Å; I84-G86 PolarHBondContact O-N 3.34Å; I84-Q87 PolarHBondContact O-N 3.22Å; I84-Q88 WeakPolarHBondContact O-CB 3.12Å; I84-Q88 VanDerWaalsContact O-CG 3.29Å; I84-Q88 WeakPolarHBondContact O-CG 3.02Å; I84-Q88 PolarHBondContact O-N 3.14Å
85I78.3Confident75.4Confident40 Ų4085.1 Ų85.121%0.20545%0.453CS..Hα-helixtrans-60.6-43.9177-67.3168.8000110.3L67 L81 Q88 K89L67-I85 HydrophobicContact CD2-CG2 4.5Å; L81-I85 HydrophobicContact CD1-CD1 4.11Å; L81-I85 HydrophobicContact CD1-CG1 4.33Å; L81-I85 HydrophobicContact CD2-CD1 4.39Å; L81-I85 HydrophobicContact CG-CD1 3.77Å; L81-I85 HydrophobicContact CG-CG1 4.4Å; L81-I85 WeakPolarHBondContact O-CB 3.33Å; L81-I85 VanDerWaalsContact O-CG1 3.27Å; L81-I85 WeakPolarHBondContact O-CG1 3.47Å; L81-I85 PolarHBondContact O-N 3.28Å; I85-Q88 PolarHBondContact O-N 3.34Å; I85-K89 HydrophobicContact CG2-CD 4.04Å; I85-K89 HydrophobicContact CG2-CG 4.38Å; I85-K89 WeakPolarHBondContact O-CB 3.39Å; I85-K89 WeakPolarHBondContact O-CG 3.39Å; I85-K89 PolarHBondContact O-N 3.31Å
86G78.7Confident76.9Confident28 Ų2882.4 Ų82.429%0.28943%0.432SS..Hα-helixtrans-59.3-47.8177.100000112.8D82 N83 I84 K89 L90D82-G86 PolarHBondContact O-N 2.87Å; N83-G86 PolarHBondContact O-N 3.31Å; I84-G86 VanDerWaalsContact C-N 3.32Å; I84-G86 PolarHBondContact O-N 3.34Å; G86-K89 PolarHBondContact O-N 3.33Å; G86-L90 WeakPolarHBondContact O-CB 3.43Å; G86-L90 VanDerWaalsContact O-CG 3.31Å; G86-L90 WeakPolarHBondContact O-CG 3.4Å; G86-L90 PolarHBondContact O-N 2.97Å
87Q76.8Confident78.2Confident100 Ų10079.1 Ų79.147%0.46742%0.424SS..Hα-helixtrans-64.2-41.6177.1-73.1-176.83.100112.3N83 I84 L90 K91N83-Q87 WeakPolarHBondContact O-CB 3.12Å; N83-Q87 VanDerWaalsContact O-CG 3.3Å; N83-Q87 WeakPolarHBondContact O-CG 3.08Å; N83-Q87 PolarHBondContact O-N 2.89Å; N83-Q87 PolarHBondContact OD1-NE2 2.96Å; I84-Q87 PolarHBondContact O-N 3.22Å; Q87-L90 PolarHBondContact O-N 2.93Å; Q87-K91 WeakPolarHBondContact O-CB 3.27Å; Q87-K91 PolarHBondContact O-N 2.99Å
88Q76.3Confident79.8Confident28 Ų2876.1 Ų76.113%0.13139%0.389CS..Hα-helixtrans-60.7-52.2174.7-75.1178.81700110.4I84 I85 L90 K91 Y92I84-Q88 WeakPolarHBondContact O-CB 3.12Å; I84-Q88 VanDerWaalsContact O-CG 3.29Å; I84-Q88 WeakPolarHBondContact O-CG 3.02Å; I84-Q88 PolarHBondContact O-N 3.14Å; I85-Q88 PolarHBondContact O-N 3.34Å; Q88-L90 VanDerWaalsContact C-N 3.28Å; Q88-L90 PolarHBondContact O-N 3.13Å; Q88-K91 PolarHBondContact O-N 2.87Å; Q88-K91 VanDerWaalsContact O-N 3.1Å; Q88-Y92 HydrophobicContact CB-CD2 4.2Å; Q88-Y92 HydrophobicContact CB-CE2 3.98Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.37Å; Q88-Y92 PolarHBondContact O-N 3.31Å
89K78.7Confident81.3Confident125 Ų12570 Ų7054%0.54336%0.356SS..Hα-helixtrans-53.9-44.2175.9-76.3179.1178.1178.20111.9I85 G86 S93I85-K89 HydrophobicContact CG2-CD 4.04Å; I85-K89 HydrophobicContact CG2-CG 4.38Å; I85-K89 WeakPolarHBondContact O-CB 3.39Å; I85-K89 WeakPolarHBondContact O-CG 3.39Å; I85-K89 PolarHBondContact O-N 3.31Å; G86-K89 PolarHBondContact O-N 3.33Å; K89-S93 WeakPolarHBondContact O-CB 3.35Å; K89-S93 PolarHBondContact O-N 3.33Å
90L79.6Confident82.6Confident119 Ų11970.3 Ų70.362%0.62336%0.355SS*.Hα-helixtrans-62.6-47.6176.4-74.3171.3000112G86 Q87 Q88 S93 A94G86-L90 WeakPolarHBondContact O-CB 3.43Å; G86-L90 VanDerWaalsContact O-CG 3.31Å; G86-L90 WeakPolarHBondContact O-CG 3.4Å; G86-L90 PolarHBondContact O-N 2.97Å; Q87-L90 PolarHBondContact O-N 2.93Å; Q88-L90 VanDerWaalsContact C-N 3.28Å; Q88-L90 PolarHBondContact O-N 3.13Å; L90-S93 PolarHBondContact O-N 3.03Å; L90-S93 PolarHBondContact O-OG 2.83Å; L90-A94 PolarHBondContact O-N 2.74Å
91K79.7Confident83.4Confident134 Ų13474 Ų7458%0.58336%0.358SS*.Hα-helixtrans-59.9-48.6178.1-172.8-174.6178.1-172.10111.3Q87 Q88 S93 A94 A95Q87-K91 WeakPolarHBondContact O-CB 3.27Å; Q87-K91 PolarHBondContact O-N 2.99Å; Q88-K91 PolarHBondContact O-N 2.87Å; Q88-K91 VanDerWaalsContact O-N 3.1Å; K91-S93 VanDerWaalsContact C-N 3.35Å; K91-S93 PolarHBondContact O-N 2.89Å; K91-A94 PolarHBondContact O-N 3.13Å; K91-A95 PolarHBondContact O-N 2.93Å
92Y78.8Confident84.3Confident110 Ų11070 Ų7043%0.43134%0.337SS..Hα-helixtrans-61.1-42.5177-71.8-61.7000111.7Q88 A94 A95 R96Q88-Y92 HydrophobicContact CB-CD2 4.2Å; Q88-Y92 HydrophobicContact CB-CE2 3.98Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.37Å; Q88-Y92 PolarHBondContact O-N 3.31Å; Y92-A94 VanDerWaalsContact C-N 3.28Å; Y92-A94 PolarHBondContact O-N 2.97Å; Y92-A95 PolarHBondContact O-N 3.48Å; Y92-R96 WeakPolarHBondContact O-CB 3.47Å; Y92-R96 PolarHBondContact O-N 3.17Å
93S84.5Confident85Confident48 Ų4865.9 Ų65.934%0.33632%0.315SS..Hα-helixtrans-60.9-37.9176.3840000112.3K89 L90 K91 K97K89-S93 WeakPolarHBondContact O-CB 3.35Å; K89-S93 PolarHBondContact O-N 3.33Å; L90-S93 PolarHBondContact O-N 3.03Å; L90-S93 PolarHBondContact O-OG 2.83Å; K91-S93 VanDerWaalsContact C-N 3.35Å; K91-S93 PolarHBondContact O-N 2.89Å; S93-K97 VanDerWaalsContact O-CG 3.29Å; S93-K97 WeakPolarHBondContact O-CG 3.37Å; S93-K97 PolarHBondContact O-N 3.11Å; S93-K97 VanDerWaalsContact O-N 3.1Å
94A87.6Confident85.5Confident33 Ų3364.9 Ų64.927%0.27332%0.316SS..Hα-helixtrans-70.9-43.5178.100000111.6L90 K91 Y92 K97 R98L90-A94 PolarHBondContact O-N 2.74Å; K91-A94 PolarHBondContact O-N 3.13Å; Y92-A94 VanDerWaalsContact C-N 3.28Å; Y92-A94 PolarHBondContact O-N 2.97Å; A94-K97 PolarHBondContact O-N 3.26Å; A94-R98 PolarHBondContact O-N 2.96Å
95A89Confident86.2Confident16 Ų1665.4 Ų65.413%0.13232%0.32CS..Hα-helixtrans-60.1-45.5175.500000111.2L24 T59 K91 Y92 K97 R98 A99L24-A95 HydrophobicContact CB-CB 4.28Å; T59-A95 HydrophobicContact CG2-CB 4.01Å; K91-A95 PolarHBondContact O-N 2.93Å; Y92-A95 PolarHBondContact O-N 3.48Å; A95-K97 PolarHBondContact O-N 3.46Å; A95-R98 CarbonylContact O-C 3.58Å; A95-R98 WeakPolarHBondContact O-CA 3.39Å; A95-R98 WeakPolarHBondContact O-CB 3.29Å; A95-R98 PolarHBondContact O-N 3.21Å; A95-R98 VanDerWaalsContact O-N 3.08Å; A95-A99 PolarHBondContact O-N 3.17Å
96R88.9Confident86.8Confident77 Ų7763.5 Ų63.529%0.29131%0.31SS..Hα-helixtrans-61.8-43.8176.5-171.5179.9176.8-140.2-1.6112.6I60 Q63 Y92 R98 A99 K100I60-R96 HydrophobicContact CG1-CG 4.22Å; Q63-R96 VanDerWaalsContact CD-NH2 3.28Å; Y92-R96 WeakPolarHBondContact O-CB 3.47Å; Y92-R96 PolarHBondContact O-N 3.17Å; R96-R98 PolarHBondContact O-N 3.17Å; R96-A99 PolarHBondContact O-N 3.22Å; R96-K100 WeakPolarHBondContact O-CG 3.17Å; R96-K100 PolarHBondContact O-N 3.44Å
97K91.3Very high87.3Confident137 Ų13766.1 Ų66.160%0.59632%0.324SS*.Hα-helixtrans-59.1-36.7174.3-75.8172.7-176.9176.20111.3S93 A94 A95 R101S93-K97 VanDerWaalsContact O-CG 3.29Å; S93-K97 WeakPolarHBondContact O-CG 3.37Å; S93-K97 PolarHBondContact O-N 3.11Å; S93-K97 VanDerWaalsContact O-N 3.1Å; A94-K97 PolarHBondContact O-N 3.26Å; A95-K97 PolarHBondContact O-N 3.46Å; K97-R101 VanDerWaalsContact O-CG 3.31Å; K97-R101 WeakPolarHBondContact O-CG 3.09Å; K97-R101 PolarHBondContact O-N 2.69Å
98R92.3Very high87.7Confident12 Ų1269.5 Ų69.55%0.04534%0.337CS..Hα-helixtrans-70.4-47.5175.1-76.7-179.4166.8-147.6-6.6112.6L24 D25 R26 I29 F34 A94 A95 R96 K100 R101 I102L24-R98 HydrophobicContact CD2-CB 4.16Å; L24-R98 WeakPolarHBondContact O-CD 3.32Å; D25-R98 PolarHBondContact O-NH1 3.33Å; R26-R98 VanDerWaalsContact CA-NH1 3.28Å; I29-R98 PolarHBondContact O-NH1 3.09Å; I29-R98 PolarHBondContact O-NH2 2.72Å; F34-R98 HydrophobicContact CE2-CG 4.49Å; F34-R98 HydrophobicContact CZ-CG 4.49Å; A94-R98 PolarHBondContact O-N 2.96Å; A95-R98 CarbonylContact O-C 3.58Å; A95-R98 WeakPolarHBondContact O-CA 3.39Å; A95-R98 WeakPolarHBondContact O-CB 3.29Å; A95-R98 PolarHBondContact O-N 3.21Å; A95-R98 VanDerWaalsContact O-N 3.08Å; R96-R98 PolarHBondContact O-N 3.17Å; R98-K100 VanDerWaalsContact C-N 3.28Å; R98-K100 PolarHBondContact O-N 3.24Å; R98-R101 CarbonylContact O-C 3.59Å; R98-R101 WeakPolarHBondContact O-CA 3.41Å; R98-R101 WeakPolarHBondContact O-CB 3.25Å; R98-R101 PolarHBondContact O-N 3.01Å; R98-I102 WeakPolarHBondContact O-CG1 3.47Å; R98-I102 PolarHBondContact O-N 2.84Å
99A93.2Very high87.7Confident0 Ų069.8 Ų69.80%034%0.341CS..Hα-helixtrans-52.4-48.3177.100000110.8L24 C56 I60 A95 R96 R101 I102 L103L24-A99 HydrophobicContact CD2-CB 3.81Å; C56-A99 HydrophobicContact CB-CB 3.98Å; I60-A99 HydrophobicContact CD1-CB 3.89Å; I60-A99 HydrophobicContact CG1-CB 3.84Å; A95-A99 PolarHBondContact O-N 3.17Å; R96-A99 PolarHBondContact O-N 3.22Å; A99-R101 VanDerWaalsContact C-N 3.32Å; A99-R101 PolarHBondContact O-N 3.18Å; A99-I102 PolarHBondContact O-N 3.04Å; A99-I102 VanDerWaalsContact O-N 3.13Å; A99-L103 WeakPolarHBondContact O-CG 3.42Å; A99-L103 PolarHBondContact O-N 2.94Å
100K92.6Very high86.9Confident106 Ų10667.6 Ų67.646%0.46134%0.341SS..Hα-helixtrans-57.5-41.4175-70.3-175.6179.7-170.30113.3I60 R96 R98 A104I60-K100 HydrophobicContact CD1-CG 3.92Å; I60-K100 HydrophobicContact CG1-CG 4.42Å; R96-K100 WeakPolarHBondContact O-CG 3.17Å; R96-K100 PolarHBondContact O-N 3.44Å; R98-K100 VanDerWaalsContact C-N 3.28Å; R98-K100 PolarHBondContact O-N 3.24Å; K100-A104 WeakPolarHBondContact O-CB 3.4Å; K100-A104 PolarHBondContact O-N 2.7Å
101R93.4Very high85.7Confident150 Ų15069 Ų6957%0.56635%0.35SS*.Hα-helixtrans-67.5-37.8177.4-70.7170178.8-169.3-1.2112.1F34 K97 R98 A99 V105F34-R101 HydrophobicContact CE1-CB 4.17Å; F34-R101 HydrophobicContact CZ-CB 4.25Å; K97-R101 VanDerWaalsContact O-CG 3.31Å; K97-R101 WeakPolarHBondContact O-CG 3.09Å; K97-R101 PolarHBondContact O-N 2.69Å; R98-R101 CarbonylContact O-C 3.59Å; R98-R101 WeakPolarHBondContact O-CA 3.41Å; R98-R101 WeakPolarHBondContact O-CB 3.25Å; R98-R101 PolarHBondContact O-N 3.01Å; A99-R101 VanDerWaalsContact C-N 3.32Å; A99-R101 PolarHBondContact O-N 3.18Å; R101-V105 WeakPolarHBondContact O-CG2 3.45Å; R101-V105 PolarHBondContact O-N 2.99Å
102I93.8Very high84.1Confident0 Ų072.6 Ų72.60%038%0.382CS..Hα-helixtrans-66.8-50.4176.8-67.1168.9000109.6A23 L24 F34 F37 I41 L52 R98 A99 A104 V105 L106A23-I102 HydrophobicContact CB-CD1 3.97Å; L24-I102 HydrophobicContact CD2-CD1 3.74Å; F34-I102 HydrophobicContact CE2-CD1 4.14Å; F34-I102 HydrophobicContact CE2-CG1 4Å; F34-I102 HydrophobicContact CZ-CD1 4.4Å; F34-I102 HydrophobicContact CZ-CG1 3.83Å; F37-I102 HydrophobicContact CE1-CD1 3.97Å; F37-I102 HydrophobicContact CE1-CG1 4.21Å; I41-I102 HydrophobicContact CD1-CB 4.44Å; I41-I102 HydrophobicContact CD1-CG1 4.48Å; I41-I102 HydrophobicContact CD1-CG2 3.91Å; L52-I102 HydrophobicContact CD1-CD1 4.39Å; L52-I102 HydrophobicContact CD1-CG2 4.16Å; L52-I102 HydrophobicContact CD2-CG2 3.75Å; L52-I102 HydrophobicContact CG-CG2 3.85Å; R98-I102 WeakPolarHBondContact O-CG1 3.47Å; R98-I102 PolarHBondContact O-N 2.84Å; A99-I102 PolarHBondContact O-N 3.04Å; A99-I102 VanDerWaalsContact O-N 3.13Å; I102-A104 VanDerWaalsContact C-N 3.29Å; I102-A104 PolarHBondContact O-N 3.34Å; I102-V105 WeakPolarHBondContact O-CA 3.21Å; I102-V105 WeakPolarHBondContact O-CB 3.39Å; I102-V105 PolarHBondContact O-N 2.82Å; I102-L106 HydrophobicContact CG2-CD1 3.78Å; I102-L106 HydrophobicContact CG2-CG 4.27Å; I102-L106 WeakPolarHBondContact O-CG 3.02Å; I102-L106 PolarHBondContact O-N 3.48Å
103L92.8Very high84.4Confident38 Ų3870.7 Ų70.720%0.19938%0.38CS..Hα-helixtrans-55-45.9175.7-69-176.4000111.3L53 C56 I60 A99 V105 L106 S107L53-L103 HydrophobicContact CD2-CD2 3.52Å; C56-L103 HydrophobicContact CB-CD1 4.37Å; C56-L103 HydrophobicContact CB-CD2 3.73Å; C56-L103 HydrophobicContact CB-CG 3.86Å; I60-L103 HydrophobicContact CD1-CD1 3.41Å; I60-L103 VanDerWaalsContact CD1-CD1 3.41Å; I60-L103 HydrophobicContact CD1-CG 4.44Å; A99-L103 WeakPolarHBondContact O-CG 3.42Å; A99-L103 PolarHBondContact O-N 2.94Å; L103-V105 PolarHBondContact O-N 3.14Å; L103-V105 VanDerWaalsContact O-N 3.17Å; L103-L106 PolarHBondContact O-N 3.17Å; L103-L106 VanDerWaalsContact O-N 3.11Å; L103-S107 WeakPolarHBondContact O-CB 3.46Å; L103-S107 PolarHBondContact O-N 3.29Å; L103-S107 PolarHBondContact O-OG 3.02Å
104A92.9Very high84.4Confident51 Ų5171.9 Ų71.942%0.42138%0.382SS..Hα-helixtrans-61.5-24.9177.200000114.2K100 I102 K108K100-A104 WeakPolarHBondContact O-CB 3.4Å; K100-A104 PolarHBondContact O-N 2.7Å; I102-A104 VanDerWaalsContact C-N 3.29Å; I102-A104 PolarHBondContact O-N 3.34Å; A104-K108 WeakPolarHBondContact O-CD 3.23Å; A104-K108 VanDerWaalsContact O-CG 3.29Å; A104-K108 WeakPolarHBondContact O-CG 3.42Å
105V92Very high84.2Confident21 Ų2174.1 Ų74.113%0.12739%0.388CS..Hα-helixtrans-81.3-44.2172.9173.60000110.5K38 I41 K42 R101 I102 L103 K108 T109K38-V105 HydrophobicContact CB-CG2 4.42Å; K38-V105 HydrophobicContact CD-CG2 3.97Å; K38-V105 HydrophobicContact CG-CG2 4.11Å; I41-V105 HydrophobicContact CD1-CB 3.94Å; I41-V105 HydrophobicContact CD1-CG1 3.8Å; I41-V105 HydrophobicContact CG1-CG1 3.82Å; K42-V105 HydrophobicContact CG-CG1 3.71Å; R101-V105 WeakPolarHBondContact O-CG2 3.45Å; R101-V105 PolarHBondContact O-N 2.99Å; I102-V105 WeakPolarHBondContact O-CA 3.21Å; I102-V105 WeakPolarHBondContact O-CB 3.39Å; I102-V105 PolarHBondContact O-N 2.82Å; L103-V105 PolarHBondContact O-N 3.14Å; L103-V105 VanDerWaalsContact O-N 3.17Å; V105-K108 PolarHBondContact O-N 2.82Å; V105-T109 PolarHBondContact O-OG1 3.16Å
106L90.2Very high83.9Confident1 Ų177.5 Ų77.51%0.00540%0.403CS..Hα-helixtrans-64.1-42.7-180-65.4174.7000111.2I41 R49 L52 L53 I102 L103 K108 T109I41-L106 HydrophobicContact CB-CD2 4.24Å; I41-L106 HydrophobicContact CD1-CD2 4.48Å; R49-L106 HydrophobicContact CG-CD2 4.32Å; R49-L106 PolarHBondContact NH2-O 3.31Å; L52-L106 HydrophobicContact CD2-CD1 4.11Å; L52-L106 HydrophobicContact CG-CD1 4.24Å; L53-L106 HydrophobicContact CD2-CB 4.1Å; L53-L106 HydrophobicContact CD2-CD1 3.5Å; L53-L106 VanDerWaalsContact CD2-CD1 3.5Å; L53-L106 HydrophobicContact CD2-CG 4.45Å; L53-L106 HydrophobicContact CG-CD1 3.86Å; I102-L106 HydrophobicContact CG2-CD1 3.78Å; I102-L106 HydrophobicContact CG2-CG 4.27Å; I102-L106 WeakPolarHBondContact O-CG 3.02Å; I102-L106 PolarHBondContact O-N 3.48Å; L103-L106 PolarHBondContact O-N 3.17Å; L103-L106 VanDerWaalsContact O-N 3.11Å; L106-K108 PolarHBondContact O-N 3.45Å; L106-K108 VanDerWaalsContact O-N 3.17Å; L106-T109 PolarHBondContact O-N 3.26Å; L106-T109 VanDerWaalsContact O-N 3.09Å; L106-T109 PolarHBondContact O-OG1 2.71Å
107S88.5Confident83.6Confident82 Ų8277.5 Ų77.557%0.57341%0.41SS*.THydrogen-bonded Turntrans-64.1-18.4176.7-56.60000114.4L103 S110L103-S107 WeakPolarHBondContact O-CB 3.46Å; L103-S107 PolarHBondContact O-N 3.29Å; L103-S107 PolarHBondContact O-OG 3.02Å; S107-S110 PolarHBondContact O-OG 3.2Å
108K85.3Confident83.1Confident171 Ų17173.5 Ų73.574%0.74340%0.398SS*.THydrogen-bonded Turntrans-89.4-7.2176.3-71179.2-177.4-166.60113.7A104 V105 L106A104-K108 WeakPolarHBondContact O-CD 3.23Å; A104-K108 VanDerWaalsContact O-CG 3.29Å; A104-K108 WeakPolarHBondContact O-CG 3.42Å; V105-K108 PolarHBondContact O-N 2.82Å; L106-K108 PolarHBondContact O-N 3.45Å; L106-K108 VanDerWaalsContact O-N 3.17Å
109T76.7Confident82.5Confident35 Ų3577.9 Ų77.922%0.21542%0.423CS..  trans-112.516.9-173.550.60000112.3K42 R49 V105 L106 D111K42-T109 HydrophobicContact CB-CG2 3.88Å; K42-T109 HydrophobicContact CG-CG2 3.79Å; R49-T109 PolarHBondContact NH1-OG1 3.35Å; V105-T109 PolarHBondContact O-OG1 3.16Å; L106-T109 PolarHBondContact O-N 3.26Å; L106-T109 VanDerWaalsContact O-N 3.09Å; L106-T109 PolarHBondContact O-OG1 2.71Å; T109-D111 PolarHBondContact O-N 3.43Å
110S62Low81.6Confident78 Ų7883.9 Ų83.955%0.54546%0.455SS..  trans-75.56.4-179.838.50000114.9S107S107-S110 PolarHBondContact O-OG 3.2Å
111D54.1Low80.7Confident149 Ų14982.1 Ų82.180%0.79746%0.455SS*.  trans-117.640.1-172.6-64.3-38.7000114.1T109T109-D111 PolarHBondContact O-N 3.43Å
112V47.1Very low79.6Confident209 Ų20975.9 Ų75.9100%1.26745%0.445SS*.  trans-130.40167.1-168.90000110.7

Retrieved 112 of 112 residues in 24.8 ms (Link to these results)

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