H9ENG2_MACMU Loading...

Transmembrane protein 117

AlphaFold DB , UniProt , Accession H9ENG2, Species MACMU (Macaca mulatta, Rhesus macaque), Gene TMEM117, Length 514 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
1M51.3Low78.7Confident149 Ų14992.7 Ų92.773%0.73443%0.427SS*.  0144.10-152.6164.9-173.100107.3Y7M1-Y7 HydrophobicContact CB-CD2 4.22Å; M1-Y7 HydrophobicContact CG-CD2 4.37Å; M1-Y7 HydrophobicContact SD-CD2 4.18Å
2G57.8Low79.5Confident35 Ų3585.1 Ų85.136%0.36139%0.392SS..  trans-64.9154.9170.700000110.7D4 Y7G2-D4 WeakPolarHBondContact CA-OD2 3.49Å; G2-D4 PolarHBondContact O-N 2.95Å; G2-Y7 WeakPolarHBondContact O-CB 3.21Å
3K73.8Confident80.4Confident160 Ų16090.2 Ų90.270%0.69641%0.407SS*.  trans-82.449.8172-72.5-175.3177.8179.20110.3Y8K3-Y8 HydrophobicContact CB-CE2 4.03Å; K3-Y8 WeakPolarHBondContact O-CE2 3.31Å
4D82.7Confident81.2Confident104 Ų10486.4 Ų86.456%0.55640%0.396SS*.  trans-81.8168.4-174.9-44.3-44.3000109.9G2 R6 Y7 Y8G2-D4 WeakPolarHBondContact CA-OD2 3.49Å; G2-D4 PolarHBondContact O-N 2.95Å; D4-R6 PolarHBondContact O-N 3.11Å; D4-Y7 WeakPolarHBondContact O-CB 3.34Å; D4-Y7 PolarHBondContact O-N 2.86Å; D4-Y8 PolarHBondContact O-N 2.82Å
5F82.8Confident81.9Confident163 Ų16380.9 Ų80.972%0.71537%0.37SS*.Hα-helixtrans-49.5-40.3177.6174.7-99.3000112.8Y7 Y8 F9F5-Y7 VanDerWaalsContact C-N 3.32Å; F5-Y7 PolarHBondContact O-N 2.83Å; F5-Y8 PolarHBondContact O-N 2.79Å; F5-F9 HydrophobicContact CD1-CB 4.33Å; F5-F9 HydrophobicContact CE1-CB 3.92Å; F5-F9 HydrophobicContact CE1-CD2 4.3Å; F5-F9 HydrophobicContact CE1-CG 4.04Å; F5-F9 HydrophobicContact CZ-CB 4.07Å; F5-F9 HydrophobicContact CZ-CD2 4.02Å; F5-F9 HydrophobicContact CZ-CG 4.18Å; F5-F9 VanDerWaalsContact O-CB 3.3Å; F5-F9 WeakPolarHBondContact O-CB 3.28Å; F5-F9 PolarHBondContact O-N 3.3Å
6R82.7Confident82.5Confident128 Ų12877.9 Ų77.948%0.48336%0.358SS..Hα-helixtrans-59.1-37.3176.8-174.4174.9179.5170.73.8113.3D4 Q10 W258D4-R6 PolarHBondContact O-N 3.11Å; R6-Q10 HydrophobicContact CG-CG 4.25Å; R6-Q10 WeakPolarHBondContact O-CB 3.41Å; R6-Q10 WeakPolarHBondContact O-CG 3.2Å; R6-Q10 PolarHBondContact O-N 3.07Å; R6-Q10 VanDerWaalsContact O-N 3.1Å; R6-W258 PolarHBondContact NH2-O 2.89Å
7Y83.8Confident83.2Confident55 Ų5579.1 Ų79.122%0.21637%0.366CS..Hα-helixtrans-65.7-40178.3178.9-90.7000111.6M1 G2 D4 F5 H11 Y181M1-Y7 HydrophobicContact CB-CD2 4.22Å; M1-Y7 HydrophobicContact CG-CD2 4.37Å; M1-Y7 HydrophobicContact SD-CD2 4.18Å; G2-Y7 WeakPolarHBondContact O-CB 3.21Å; D4-Y7 WeakPolarHBondContact O-CB 3.34Å; D4-Y7 PolarHBondContact O-N 2.86Å; F5-Y7 VanDerWaalsContact C-N 3.32Å; F5-Y7 PolarHBondContact O-N 2.83Å; Y7-H11 WeakPolarHBondContact O-CB 3.48Å; Y7-H11 PolarHBondContact O-N 3.17Å; Y7-Y181 HydrophobicContact CD1-CE1 4.44Å; Y7-Y181 AromaticContact CD2-CE1 3.71Å; Y7-Y181 HydrophobicContact CD2-CE1 3.71Å; Y7-Y181 AromaticContact CD2-CZ 3.79Å; Y7-Y181 WeakPolarHBondContact CD2-OH 3.25Å; Y7-Y181 HydrophobicContact CE1-CE1 4.06Å; Y7-Y181 AromaticContact CE2-CD1 3.95Å; Y7-Y181 HydrophobicContact CE2-CD1 3.95Å; Y7-Y181 AromaticContact CE2-CE1 3.26Å; Y7-Y181 HydrophobicContact CE2-CE1 3.26Å; Y7-Y181 AromaticContact CE2-CZ 3.74Å; Y7-Y181 HydrophobicContact CG-CE1 4.28Å; Y7-Y181 AromaticContact CZ-CD1 3.95Å; Y7-Y181 AromaticContact CZ-CE1 3.44Å; Y7-Y181 VanDerWaalsContact CZ-CE1 3.44Å; Y7-Y181 PolarHBondContact O-OH 3.32Å; Y7-Y181 VanDerWaalsContact O-OH 3.11Å
8Y85.9Confident83.7Confident130 Ų13075.4 Ų75.451%0.5135%0.35SS..Hα-helixtrans-76.4-43.2176.9-70.1-78.2000112.6K3 D4 F5 Q10 H11K3-Y8 HydrophobicContact CB-CE2 4.03Å; K3-Y8 WeakPolarHBondContact O-CE2 3.31Å; D4-Y8 PolarHBondContact O-N 2.82Å; F5-Y8 PolarHBondContact O-N 2.79Å; Y8-Q10 VanDerWaalsContact C-N 3.35Å; Y8-Q10 PolarHBondContact O-N 3.44Å; Y8-H11 VanDerWaalsContact O-CB 3.24Å; Y8-H11 WeakPolarHBondContact O-CB 3.47Å; Y8-H11 PolarHBondContact O-N 2.89Å
9F86.5Confident84.2Confident51 Ų5171.6 Ų71.622%0.22433%0.333CS..Hα-helixtrans-61.7-40.2-179.1179.9-112.5000112.9F5 S14 L252 M255 Q256F5-F9 HydrophobicContact CD1-CB 4.33Å; F5-F9 HydrophobicContact CE1-CB 3.92Å; F5-F9 HydrophobicContact CE1-CD2 4.3Å; F5-F9 HydrophobicContact CE1-CG 4.04Å; F5-F9 HydrophobicContact CZ-CB 4.07Å; F5-F9 HydrophobicContact CZ-CD2 4.02Å; F5-F9 HydrophobicContact CZ-CG 4.18Å; F5-F9 VanDerWaalsContact O-CB 3.3Å; F5-F9 WeakPolarHBondContact O-CB 3.28Å; F5-F9 PolarHBondContact O-N 3.3Å; F9-S14 PolarHBondContact O-OG 2.91Å; F9-L252 HydrophobicContact CE2-CD2 3.87Å; F9-L252 HydrophobicContact CZ-CD2 3.84Å; F9-M255 HydrophobicContact CZ-CB 4.45Å; F9-Q256 HydrophobicContact CD1-CG 4.04Å; F9-Q256 HydrophobicContact CD2-CG 4.33Å; F9-Q256 HydrophobicContact CE1-CB 4.29Å; F9-Q256 HydrophobicContact CE1-CG 3.56Å; F9-Q256 HydrophobicContact CE2-CG 3.88Å; F9-Q256 HydrophobicContact CG-CG 4.4Å; F9-Q256 HydrophobicContact CZ-CG 3.47Å; F9-Q256 VanDerWaalsContact CZ-CG 3.47Å; F9-Q256 PolarHBondContact O-NE2 3.49Å; F9-Q256 VanDerWaalsContact O-NE2 3.12Å
10Q88.1Confident84.7Confident6 Ų672.8 Ų72.83%0.02834%0.335CS..THydrogen-bonded Turntrans-94.63.2-179.6-52.9-167.2-74.100113R6 Y8 R15 Q256 D257 W258R6-Q10 HydrophobicContact CG-CG 4.25Å; R6-Q10 WeakPolarHBondContact O-CB 3.41Å; R6-Q10 WeakPolarHBondContact O-CG 3.2Å; R6-Q10 PolarHBondContact O-N 3.07Å; R6-Q10 VanDerWaalsContact O-N 3.1Å; Y8-Q10 VanDerWaalsContact C-N 3.35Å; Y8-Q10 PolarHBondContact O-N 3.44Å; Q10-R15 WeakPolarHBondContact O-CD 3.34Å; Q10-R15 WeakPolarHBondContact O-CG 3.19Å; Q10-Q256 WeakPolarHBondContact CG-O 3.26Å; Q10-Q256 PolarHBondContact NE2-O 3.02Å; Q10-D257 PolarHBondContact NE2-O 3.35Å; Q10-W258 HydrophobicContact CB-CE3 3.95Å; Q10-W258 HydrophobicContact CB-CH2 3.25Å; Q10-W258 HydrophobicContact CB-CZ2 4.18Å; Q10-W258 HydrophobicContact CB-CZ3 3.17Å; Q10-W258 HydrophobicContact CG-CE3 4.44Å; Q10-W258 HydrophobicContact CG-CH2 4.48Å; Q10-W258 HydrophobicContact CG-CZ3 3.99Å; Q10-W258 WeakPolarHBondContact O-CH2 3.3Å; Q10-W258 VanDerWaalsContact O-CZ2 3.29Å; Q10-W258 WeakPolarHBondContact O-CZ2 3.41Å
11H89.9Confident85.1Confident39 Ų3972.1 Ų72.118%0.18133%0.334CS..  trans-55.6140.5-176-172.9-84.6000111.6Y7 Y8 W13 S14 R15 Y181 W184Y7-H11 WeakPolarHBondContact O-CB 3.48Å; Y7-H11 PolarHBondContact O-N 3.17Å; Y8-H11 VanDerWaalsContact O-CB 3.24Å; Y8-H11 WeakPolarHBondContact O-CB 3.47Å; Y8-H11 PolarHBondContact O-N 2.89Å; H11-W13 VanDerWaalsContact C-N 3.33Å; H11-W13 AromaticContact CE1-CD1 3.43Å; H11-W13 VanDerWaalsContact CE1-CD1 3.43Å; H11-W13 AromaticContact CE1-CG 3.99Å; H11-W13 AromaticContact ND1-CD1 3.83Å; H11-W13 PolarHBondContact ND1-N 2.95Å; H11-W13 PolarHBondContact O-N 2.88Å; H11-W13 VanDerWaalsContact O-N 3.14Å; H11-S14 WeakPolarHBondContact O-CA 3.37Å; H11-S14 VanDerWaalsContact O-CB 3.31Å; H11-S14 WeakPolarHBondContact O-CB 3.19Å; H11-S14 PolarHBondContact O-N 3.44Å; H11-R15 PolarHBondContact O-N 2.86Å; H11-R15 VanDerWaalsContact O-N 3.09Å; H11-Y181 AromaticContact CD2-CD1 3.71Å; H11-Y181 AromaticContact CD2-CE1 3.54Å; H11-Y181 AromaticContact NE2-CD1 3.97Å; H11-W184 AromaticContact CE1-CD1 3.9Å
12P89.2Confident87.1Confident1 Ų165.2 Ų65.21%0.00630%0.3CS..Hα-helixtrans-47.9-46.2-177.6-32.735.4000115.5S14 R15 M16 M175 Y181 W184P12-S14 VanDerWaalsContact C-N 3.35Å; P12-S14 PolarHBondContact O-N 3.26Å; P12-R15 PolarHBondContact O-N 2.87Å; P12-M16 WeakPolarHBondContact O-CB 3.02Å; P12-M16 WeakPolarHBondContact O-CG 3.41Å; P12-M16 PolarHBondContact O-N 3.34Å; P12-M175 HydrophobicContact CB-CB 4.19Å; P12-M175 HydrophobicContact CB-CG 3.93Å; P12-M175 HydrophobicContact CB-SD 3.83Å; P12-M175 HydrophobicContact CG-CG 4.46Å; P12-M175 HydrophobicContact CG-SD 3.79Å; P12-Y181 HydrophobicContact CG-CD1 4.25Å; P12-Y181 HydrophobicContact CG-CD2 4.02Å; P12-Y181 HydrophobicContact CG-CG 3.8Å; P12-W184 HydrophobicContact CB-CD2 3.55Å; P12-W184 VanDerWaalsContact CB-CE2 3.5Å; P12-W184 HydrophobicContact CB-CE3 3.82Å; P12-W184 HydrophobicContact CB-CG 4.08Å; P12-W184 HydrophobicContact CB-CH2 4.01Å; P12-W184 HydrophobicContact CB-CZ2 3.75Å; P12-W184 HydrophobicContact CB-CZ3 4.05Å; P12-W184 HydrophobicContact CG-CD2 3.91Å; P12-W184 HydrophobicContact CG-CE3 4.05Å; P12-W184 HydrophobicContact CG-CG 4.12Å
13W90.8Very high88.7Confident152 Ų15264.5 Ų64.558%0.57629%0.288SS*.Hα-helixtrans-58.5-40.9173.2-69.5134.3000113.6H11 I17 W184H11-W13 VanDerWaalsContact C-N 3.33Å; H11-W13 AromaticContact CE1-CD1 3.43Å; H11-W13 VanDerWaalsContact CE1-CD1 3.43Å; H11-W13 AromaticContact CE1-CG 3.99Å; H11-W13 AromaticContact ND1-CD1 3.83Å; H11-W13 PolarHBondContact ND1-N 2.95Å; H11-W13 PolarHBondContact O-N 2.88Å; H11-W13 VanDerWaalsContact O-N 3.14Å; W13-I17 VanDerWaalsContact O-CB 3.28Å; W13-I17 WeakPolarHBondContact O-CB 3.5Å; W13-I17 WeakPolarHBondContact O-CD1 3.46Å; W13-I17 WeakPolarHBondContact O-CG1 3.35Å; W13-I17 PolarHBondContact O-N 2.97Å; W13-W184 AromaticContact CD1-NE1 3.76Å; W13-W184 AromaticContact CD2-NE1 3.6Å; W13-W184 AromaticContact CE2-NE1 3.31Å; W13-W184 VanDerWaalsContact CE2-NE1 3.31Å; W13-W184 AromaticContact CG-NE1 3.85Å; W13-W184 AromaticContact CZ2-NE1 3.78Å; W13-W184 AromaticContact NE1-CD1 3.74Å; W13-W184 AromaticContact NE1-NE1 3.38Å
14S91.6Very high89.5Confident37 Ų3762.7 Ų62.726%0.25928%0.28SS..Hα-helixtrans-63.4-49.4178.1-172.80000110.6F9 H11 P12 M16 I17 V18 Q256F9-S14 PolarHBondContact O-OG 2.91Å; H11-S14 WeakPolarHBondContact O-CA 3.37Å; H11-S14 VanDerWaalsContact O-CB 3.31Å; H11-S14 WeakPolarHBondContact O-CB 3.19Å; H11-S14 PolarHBondContact O-N 3.44Å; P12-S14 VanDerWaalsContact C-N 3.35Å; P12-S14 PolarHBondContact O-N 3.26Å; S14-M16 PolarHBondContact O-N 3.3Å; S14-I17 PolarHBondContact O-N 3.02Å; S14-V18 WeakPolarHBondContact O-CG2 3.42Å; S14-V18 PolarHBondContact O-N 3.5Å; S14-Q256 PolarHBondContact OG-NE2 2.87Å
15R91.8Very high89.9Confident3 Ų359.9 Ų59.91%0.01126%0.263CS..Hα-helixtrans-60.8-44.3179.5-61.6-167.165.7178.61.3112.6Q10 H11 P12 A19 V171 Q256 D257Q10-R15 WeakPolarHBondContact O-CD 3.34Å; Q10-R15 WeakPolarHBondContact O-CG 3.19Å; H11-R15 PolarHBondContact O-N 2.86Å; H11-R15 VanDerWaalsContact O-N 3.09Å; P12-R15 PolarHBondContact O-N 2.87Å; R15-A19 WeakPolarHBondContact O-CB 3.38Å; R15-A19 PolarHBondContact O-N 3.29Å; R15-A19 VanDerWaalsContact O-N 3.08Å; R15-V171 HydrophobicContact CB-CG1 3.72Å; R15-Q256 HydrophobicContact CG-CB 4.05Å; R15-D257 IonicContact CZ-OD2 2.99Å; R15-D257 VanDerWaalsContact CZ-OD2 3.26Å; R15-D257 IonicContact NH1-OD2 2.81Å; R15-D257 PolarHBondContact NH1-OD2 3.1Å; R15-D257 IonicContact NH2-OD2 3.36Å; R15-D257 PolarHBondContact NH2-OD2 3.5Å
16M91.7Very high90.3Very high34 Ų3452.8 Ų52.817%0.16723%0.232CC..Hα-helixtrans-66.4-44.1176.8-70.1179.972.900111.9P12 S14 V18 A19 Y20 T172 W184P12-M16 WeakPolarHBondContact O-CB 3.02Å; P12-M16 WeakPolarHBondContact O-CG 3.41Å; P12-M16 PolarHBondContact O-N 3.34Å; S14-M16 PolarHBondContact O-N 3.3Å; M16-V18 PolarHBondContact O-N 2.77Å; M16-A19 PolarHBondContact O-N 3.03Å; M16-Y20 HydrophobicContact CB-CD2 4.39Å; M16-Y20 HydrophobicContact CE-CE2 4.1Å; M16-Y20 VanDerWaalsContact O-CD2 3.27Å; M16-Y20 WeakPolarHBondContact O-CD2 3.42Å; M16-Y20 PolarHBondContact O-N 2.84Å; M16-T172 HydrophobicContact CE-CG2 3.99Å; M16-W184 HydrophobicContact SD-CH2 3.72Å; M16-W184 HydrophobicContact SD-CZ2 3.71Å
17I93.5Very high90.5Very high98 Ų9849.1 Ų49.150%0.50322%0.22SC..Hα-helixtrans-61.1-46.2179.3-73.4166.3000110.8W13 S14 L21W13-I17 VanDerWaalsContact O-CB 3.28Å; W13-I17 WeakPolarHBondContact O-CB 3.5Å; W13-I17 WeakPolarHBondContact O-CD1 3.46Å; W13-I17 WeakPolarHBondContact O-CG1 3.35Å; W13-I17 PolarHBondContact O-N 2.97Å; S14-I17 PolarHBondContact O-N 3.02Å; I17-L21 HydrophobicContact CG2-CD1 3.63Å; I17-L21 HydrophobicContact CG2-CG 4.35Å; I17-L21 VanDerWaalsContact O-CB 3.25Å; I17-L21 WeakPolarHBondContact O-CB 3.24Å; I17-L21 WeakPolarHBondContact O-CG 3.42Å; I17-L21 PolarHBondContact O-N 3.38Å
18V93.3Very high90.6Very high13 Ų1348.7 Ų48.78%0.07922%0.221CC..Hα-helixtrans-60.9-49.8176.7175.70000110.7S14 M16 Y20 L21 V22 F249 L252 I253S14-V18 WeakPolarHBondContact O-CG2 3.42Å; S14-V18 PolarHBondContact O-N 3.5Å; M16-V18 PolarHBondContact O-N 2.77Å; V18-Y20 PolarHBondContact O-N 3.07Å; V18-L21 PolarHBondContact O-N 3.18Å; V18-V22 PolarHBondContact O-N 3.02Å; V18-V22 VanDerWaalsContact O-N 3.14Å; V18-F249 HydrophobicContact CB-CD1 4.42Å; V18-F249 HydrophobicContact CG1-CB 4.12Å; V18-F249 HydrophobicContact CG1-CD1 3.82Å; V18-F249 HydrophobicContact CG1-CG 4.18Å; V18-L252 HydrophobicContact CG1-CB 4.14Å; V18-I253 HydrophobicContact CG1-CG1 3.8Å
19A92.3Very high90.7Very high2 Ų242.5 Ų42.52%0.01720%0.197CC..Hα-helixtrans-66.3-35.2-175.800000114.2R15 M16 A168 V171 I253R15-A19 WeakPolarHBondContact O-CB 3.38Å; R15-A19 PolarHBondContact O-N 3.29Å; R15-A19 VanDerWaalsContact O-N 3.08Å; M16-A19 PolarHBondContact O-N 3.03Å; A19-A168 HydrophobicContact CB-CB 4Å; A19-V171 HydrophobicContact CB-CB 4.36Å; A19-V171 HydrophobicContact CB-CG1 4.42Å; A19-V171 HydrophobicContact CB-CG2 4.3Å; A19-I253 HydrophobicContact CB-CD1 4.1Å; A19-I253 HydrophobicContact CB-CG1 4.33Å
20Y93.8Very high90.6Very high95 Ų9540.7 Ų40.737%0.37319%0.189SC..Hα-helixtrans-81.5-21.9174.7-75-69.8000113.4M16 V18 I23 F24 A168 T172M16-Y20 HydrophobicContact CB-CD2 4.39Å; M16-Y20 HydrophobicContact CE-CE2 4.1Å; M16-Y20 VanDerWaalsContact O-CD2 3.27Å; M16-Y20 WeakPolarHBondContact O-CD2 3.42Å; M16-Y20 PolarHBondContact O-N 2.84Å; V18-Y20 PolarHBondContact O-N 3.07Å; Y20-I23 HydrophobicContact CD1-CD1 3.88Å; Y20-I23 HydrophobicContact CE1-CD1 4.28Å; Y20-F24 PolarHBondContact O-N 3.21Å; Y20-A168 HydrophobicContact CD1-CB 4.11Å; Y20-A168 HydrophobicContact CE1-CB 3.88Å; Y20-A168 HydrophobicContact CE2-CB 4.48Å; Y20-A168 HydrophobicContact CG-CB 4.49Å; Y20-T172 WeakPolarHBondContact CE2-OG1 3.43Å; Y20-T172 PolarHBondContact OH-OG1 2.9Å
21L93.6Very high90.3Very high60 Ų6041.1 Ų41.131%0.31419%0.194SC..Hα-helixtrans-73.3-32.8172-79.2173000112.8I17 V18 F24 F25 F249I17-L21 HydrophobicContact CG2-CD1 3.63Å; I17-L21 HydrophobicContact CG2-CG 4.35Å; I17-L21 VanDerWaalsContact O-CB 3.25Å; I17-L21 WeakPolarHBondContact O-CB 3.24Å; I17-L21 WeakPolarHBondContact O-CG 3.42Å; I17-L21 PolarHBondContact O-N 3.38Å; V18-L21 PolarHBondContact O-N 3.18Å; L21-F24 PolarHBondContact O-N 2.89Å; L21-F25 HydrophobicContact CB-CD2 4.33Å; L21-F25 HydrophobicContact CB-CE2 3.97Å; L21-F25 HydrophobicContact CD2-CE2 4.43Å; L21-F25 HydrophobicContact CD2-CZ 4.31Å; L21-F25 WeakPolarHBondContact O-CD2 3.16Å; L21-F25 WeakPolarHBondContact O-CG 3.35Å; L21-F25 PolarHBondContact O-N 3.13Å; L21-F249 HydrophobicContact CB-CD1 4.11Å; L21-F249 HydrophobicContact CB-CE1 3.89Å; L21-F249 HydrophobicContact CD1-CE1 3.87Å
22V92.8Very high90Very high3 Ų339.8 Ų39.82%0.01819%0.187CC..Hα-helixtrans-54.9-53.1171.4171.70000110.4V18 F24 F25 N26 F249 I253V18-V22 PolarHBondContact O-N 3.02Å; V18-V22 VanDerWaalsContact O-N 3.14Å; V22-F24 VanDerWaalsContact C-N 3.27Å; V22-F24 PolarHBondContact O-N 3.48Å; V22-F25 PolarHBondContact O-N 3.22Å; V22-F25 VanDerWaalsContact O-N 3.09Å; V22-N26 WeakPolarHBondContact O-CB 3.37Å; V22-N26 PolarHBondContact O-N 3.31Å; V22-F249 HydrophobicContact CG2-CB 3.5Å; V22-F249 HydrophobicContact CG2-CD1 4.47Å; V22-F249 HydrophobicContact CG2-CG 4.49Å; V22-I253 HydrophobicContact CG2-CD1 3.9Å
23I92.2Very high89.9Confident21 Ų2139.8 Ų39.811%0.10819%0.187CC..Hα-helixtrans-51.1-47.3177.2-65.6167000111.3Y20 N26 F27 W161 D164 A168Y20-I23 HydrophobicContact CD1-CD1 3.88Å; Y20-I23 HydrophobicContact CE1-CD1 4.28Å; I23-N26 PolarHBondContact O-N 3.11Å; I23-F27 HydrophobicContact CG2-CD2 3.92Å; I23-F27 HydrophobicContact CG2-CE2 3.78Å; I23-F27 VanDerWaalsContact O-CD2 3.22Å; I23-F27 WeakPolarHBondContact O-CD2 3.32Å; I23-F27 PolarHBondContact O-N 3.49Å; I23-F27 VanDerWaalsContact O-N 3.07Å; I23-W161 HydrophobicContact CG2-CE3 4.27Å; I23-W161 HydrophobicContact CG2-CZ3 3.97Å; I23-D164 HydrophobicContact CD1-CB 4.44Å; I23-D164 HydrophobicContact CG1-CB 3.54Å; I23-A168 HydrophobicContact CD1-CB 3.7Å
24F90.8Very high89.7Confident122 Ų12232.6 Ų32.654%0.53516%0.16SC..Hα-helixtrans-64.2-45.4179.9174.2-100.8000112.4Y20 L21 V22 F27 L28Y20-F24 PolarHBondContact O-N 3.21Å; L21-F24 PolarHBondContact O-N 2.89Å; V22-F24 VanDerWaalsContact C-N 3.27Å; V22-F24 PolarHBondContact O-N 3.48Å; F24-F27 PolarHBondContact O-N 3.25Å; F24-L28 HydrophobicContact CE1-CD2 4.4Å; F24-L28 WeakPolarHBondContact O-CB 3.25Å; F24-L28 PolarHBondContact O-N 3.42Å
25F91.6Very high89.4Confident44 Ų4430.8 Ų30.819%0.19315%0.148CC..Hα-helixtrans-68.6-34.4178.5-64.2-43.8000112.5L21 V22 L28 I29 L242 I246 F249L21-F25 HydrophobicContact CB-CD2 4.33Å; L21-F25 HydrophobicContact CB-CE2 3.97Å; L21-F25 HydrophobicContact CD2-CE2 4.43Å; L21-F25 HydrophobicContact CD2-CZ 4.31Å; L21-F25 WeakPolarHBondContact O-CD2 3.16Å; L21-F25 WeakPolarHBondContact O-CG 3.35Å; L21-F25 PolarHBondContact O-N 3.13Å; V22-F25 PolarHBondContact O-N 3.22Å; V22-F25 VanDerWaalsContact O-N 3.09Å; F25-L28 PolarHBondContact O-N 3.1Å; F25-L28 VanDerWaalsContact O-N 3.16Å; F25-I29 PolarHBondContact O-N 2.99Å; F25-L242 HydrophobicContact CB-CD1 3.95Å; F25-L242 HydrophobicContact CD1-CD1 3.76Å; F25-L242 HydrophobicContact CG-CD1 4.03Å; F25-I246 HydrophobicContact CB-CD1 3.98Å; F25-I246 HydrophobicContact CB-CG1 3.55Å; F25-F249 HydrophobicContact CE2-CD1 4.39Å; F25-F249 HydrophobicContact CE2-CE1 4.03Å; F25-F249 HydrophobicContact CE2-CZ 4.24Å
26N90.3Very high89Confident15 Ų1531 Ų318%0.0815%0.149CC..Hα-helixtrans-68.4-34.5175.4-92.7-24.3000112.9V22 I23 I29 F30 T160 D164 I246 D315V22-N26 WeakPolarHBondContact O-CB 3.37Å; V22-N26 PolarHBondContact O-N 3.31Å; I23-N26 PolarHBondContact O-N 3.11Å; N26-I29 WeakPolarHBondContact O-CG2 3.45Å; N26-F30 WeakPolarHBondContact O-CB 3.31Å; N26-F30 PolarHBondContact O-N 2.98Å; N26-T160 HydrophobicContact CB-CG2 4.02Å; N26-T160 WeakPolarHBondContact ND2-CG2 3.21Å; N26-D164 WeakPolarHBondContact CB-OD2 3.35Å; N26-D164 PolarHBondContact ND2-OD2 2.82Å; N26-I246 WeakPolarHBondContact OD1-CD1 3.42Å; N26-I246 WeakPolarHBondContact OD1-CG2 3.47Å; N26-D315 PolarHBondContact ND2-OD2 3.16Å; N26-D315 PolarHBondContact OD1-OD2 3.2Å
27F87.4Confident88.7Confident51 Ų5130.7 Ų30.722%0.22415%0.148CC..Hα-helixtrans-68.3-38.3166-79.7-63.5000113I23 F24 F30 A31 W161 V213 I217 W224I23-F27 HydrophobicContact CG2-CD2 3.92Å; I23-F27 HydrophobicContact CG2-CE2 3.78Å; I23-F27 VanDerWaalsContact O-CD2 3.22Å; I23-F27 WeakPolarHBondContact O-CD2 3.32Å; I23-F27 PolarHBondContact O-N 3.49Å; I23-F27 VanDerWaalsContact O-N 3.07Å; F24-F27 PolarHBondContact O-N 3.25Å; F27-F30 PolarHBondContact O-N 2.87Å; F27-A31 WeakPolarHBondContact O-CB 3.28Å; F27-A31 PolarHBondContact O-N 3.29Å; F27-W161 AromaticContact CE2-CE3 3.57Å; F27-W161 HydrophobicContact CE2-CE3 3.57Å; F27-W161 AromaticContact CE2-CZ3 3.9Å; F27-W161 HydrophobicContact CE2-CZ3 3.9Å; F27-W161 HydrophobicContact CZ-CD2 4.23Å; F27-W161 AromaticContact CZ-CE3 3.59Å; F27-W161 HydrophobicContact CZ-CE3 3.59Å; F27-W161 HydrophobicContact CZ-CZ3 4.2Å; F27-V213 HydrophobicContact CE1-CG1 3.94Å; F27-V213 HydrophobicContact CZ-CB 4.44Å; F27-V213 HydrophobicContact CZ-CG1 3.72Å; F27-V213 HydrophobicContact CZ-CG2 3.8Å; F27-I217 HydrophobicContact CE1-CD1 4.38Å; F27-W224 HydrophobicContact CD1-CH2 4.42Å
28L86.7Confident88.4Confident45 Ų4526 Ų2624%0.23612%0.124CC..Hα-helixtrans-65.8-46.3-179.6-17662.6000112.1F24 F25 F30 A31 E32 L242F24-L28 HydrophobicContact CE1-CD2 4.4Å; F24-L28 WeakPolarHBondContact O-CB 3.25Å; F24-L28 PolarHBondContact O-N 3.42Å; F25-L28 PolarHBondContact O-N 3.1Å; F25-L28 VanDerWaalsContact O-N 3.16Å; L28-F30 VanDerWaalsContact C-N 3.34Å; L28-F30 PolarHBondContact O-N 3.44Å; L28-A31 PolarHBondContact O-N 3.44Å; L28-E32 HydrophobicContact CD1-CG 4.48Å; L28-E32 WeakPolarHBondContact O-CG 3.38Å; L28-E32 PolarHBondContact O-N 3.45Å; L28-E32 VanDerWaalsContact O-N 3.14Å; L28-L242 HydrophobicContact CB-CD2 4.23Å; L28-L242 HydrophobicContact CD2-CD1 4.34Å; L28-L242 HydrophobicContact CD2-CD2 3.91Å; L28-L242 HydrophobicContact CG-CD2 3.84Å
29I87.2Confident88.1Confident1 Ų126.8 Ų26.81%0.00513%0.126CC..Hα-helixtrans-65-38.3177.2-167.965.2000111.2F25 N26 A31 E32 D33 R239 L242 I246 M318 Q322F25-I29 PolarHBondContact O-N 2.99Å; N26-I29 WeakPolarHBondContact O-CG2 3.45Å; I29-A31 PolarHBondContact O-N 3.44Å; I29-E32 PolarHBondContact O-N 3.17Å; I29-D33 VanDerWaalsContact O-CB 3.24Å; I29-D33 WeakPolarHBondContact O-CB 3.41Å; I29-D33 PolarHBondContact O-N 3.42Å; I29-R239 HydrophobicContact CD1-CB 3.83Å; I29-R239 HydrophobicContact CD1-CG 4.03Å; I29-L242 HydrophobicContact CB-CD2 3.9Å; I29-L242 HydrophobicContact CB-CG 4.27Å; I29-L242 HydrophobicContact CD1-CB 4.38Å; I29-L242 HydrophobicContact CD1-CD2 3.99Å; I29-L242 HydrophobicContact CD1-CG 4.3Å; I29-I246 HydrophobicContact CB-CD1 4.15Å; I29-I246 HydrophobicContact CG2-CD1 3.78Å; I29-M318 HydrophobicContact CG1-CE 4.45Å; I29-M318 HydrophobicContact CG1-CG 4.16Å; I29-M318 HydrophobicContact CG1-SD 4.12Å; I29-M318 HydrophobicContact CG2-CE 4.35Å; I29-Q322 HydrophobicContact CD1-CG 4.36Å
30F84.6Confident87.9Confident13 Ų1327.4 Ų27.46%0.05713%0.13CC..Hα-helixtrans-63.6-38.8174.7177.5-105.6000112.6N26 F27 L28 E32 M153 K154 A157 I217 W224N26-F30 WeakPolarHBondContact O-CB 3.31Å; N26-F30 PolarHBondContact O-N 2.98Å; F27-F30 PolarHBondContact O-N 2.87Å; L28-F30 VanDerWaalsContact C-N 3.34Å; L28-F30 PolarHBondContact O-N 3.44Å; F30-E32 VanDerWaalsContact C-N 3.3Å; F30-E32 PolarHBondContact O-N 2.93Å; F30-M153 HydrophobicContact CE2-CB 4.42Å; F30-K154 HydrophobicContact CZ-CG 4.44Å; F30-A157 HydrophobicContact CD1-CB 4.34Å; F30-A157 HydrophobicContact CD2-CB 3.55Å; F30-A157 HydrophobicContact CE1-CB 4.38Å; F30-A157 HydrophobicContact CE2-CB 3.6Å; F30-A157 HydrophobicContact CG-CB 3.94Å; F30-A157 HydrophobicContact CZ-CB 4.03Å; F30-I217 HydrophobicContact CE1-CG1 4.23Å; F30-I217 HydrophobicContact CE1-CG2 4.41Å; F30-I217 HydrophobicContact CZ-CG2 4.1Å; F30-W224 AromaticContact CE1-NE1 3.78Å
31A81.4Confident87.6Confident15 Ų1526.9 Ų26.912%0.12413%0.131CC..Hα-helixtrans-73.2-17.4178.300000114.1F27 L28 I29 W224F27-A31 WeakPolarHBondContact O-CB 3.28Å; F27-A31 PolarHBondContact O-N 3.29Å; L28-A31 PolarHBondContact O-N 3.44Å; I29-A31 PolarHBondContact O-N 3.44Å; A31-W224 HydrophobicContact CB-CB 4.08Å; A31-W224 HydrophobicContact CB-CD2 4.09Å; A31-W224 HydrophobicContact CB-CE3 3.72Å; A31-W224 HydrophobicContact CB-CG 4.28Å; A31-W224 HydrophobicContact CB-CZ3 4.42Å
32E84.3Confident87.4Confident10 Ų1024 Ų245%0.04712%0.116CC..Hα-helixtrans-107.3-20179.3-69.5-170.9-18000114.4L28 I29 F30 P34 S234 R239 S383L28-E32 HydrophobicContact CD1-CG 4.48Å; L28-E32 WeakPolarHBondContact O-CG 3.38Å; L28-E32 PolarHBondContact O-N 3.45Å; L28-E32 VanDerWaalsContact O-N 3.14Å; I29-E32 PolarHBondContact O-N 3.17Å; F30-E32 VanDerWaalsContact C-N 3.3Å; F30-E32 PolarHBondContact O-N 2.93Å; E32-P34 VanDerWaalsContact O-CD 3.27Å; E32-P34 WeakPolarHBondContact O-CD 3.43Å; E32-S234 WeakPolarHBondContact OE2-CB 3.4Å; E32-S234 PolarHBondContact OE2-OG 3Å; E32-R239 HydrophobicContact CB-CG 4.43Å; E32-S383 PolarHBondContact O-OG 3.3Å
33D86.1Confident87.1Confident1 Ų126.4 Ų26.41%0.00513%0.129CC..  trans-68114.2-17617818000111.8I29 V35 S36 M153 Q322I29-D33 VanDerWaalsContact O-CB 3.24Å; I29-D33 WeakPolarHBondContact O-CB 3.41Å; I29-D33 PolarHBondContact O-N 3.42Å; D33-V35 PolarHBondContact O-N 2.94Å; D33-V35 WeakPolarHBondContact OD1-CB 3.41Å; D33-V35 WeakPolarHBondContact OD1-CG2 3.47Å; D33-V35 PolarHBondContact OD1-N 2.89Å; D33-S36 WeakPolarHBondContact O-CB 3.28Å; D33-S36 PolarHBondContact O-N 3.15Å; D33-S36 PolarHBondContact O-OG 3.46Å; D33-M153 WeakPolarHBondContact OD2-CE 3.49Å; D33-Q322 PolarHBondContact OD1-NE2 3.43Å; D33-Q322 PolarHBondContact OD2-NE2 3.33Å
34P86.1Confident86.8Confident1 Ų125.8 Ų25.81%0.00613%0.126CC..G310 helixtrans-63.5-22.3177.128.3-36.8000113.4E32 S36 H37 Y325 Q332 I340 L381E32-P34 VanDerWaalsContact O-CD 3.27Å; E32-P34 WeakPolarHBondContact O-CD 3.43Å; P34-S36 PolarHBondContact O-N 2.8Å; P34-H37 PolarHBondContact O-N 3.49Å; P34-Y325 HydrophobicContact CB-CE2 4.35Å; P34-Y325 HydrophobicContact CG-CD1 4.5Å; P34-Y325 HydrophobicContact CG-CD2 4.35Å; P34-Y325 HydrophobicContact CG-CE1 3.88Å; P34-Y325 HydrophobicContact CG-CE2 3.71Å; P34-Y325 VanDerWaalsContact CG-CZ 3.45Å; P34-Q332 PolarHBondContact O-NE2 3.14Å; P34-I340 HydrophobicContact CB-CD1 3.82Å; P34-I340 HydrophobicContact CB-CG2 4.36Å; P34-I340 HydrophobicContact CG-CD1 3.83Å; P34-L381 HydrophobicContact CB-CD1 3.81Å
35V86.7Confident86.6Confident0 Ų025 Ų250%013%0.126CC..G310 helixtrans-65-27178.5-179.30000111.5D33 H37 S38 N149 M153 Y325 Y330D33-V35 PolarHBondContact O-N 2.94Å; D33-V35 WeakPolarHBondContact OD1-CB 3.41Å; D33-V35 WeakPolarHBondContact OD1-CG2 3.47Å; D33-V35 PolarHBondContact OD1-N 2.89Å; V35-H37 PolarHBondContact O-N 2.9Å; V35-H37 VanDerWaalsContact O-N 3.08Å; V35-S38 WeakPolarHBondContact O-CB 3.37Å; V35-S38 PolarHBondContact O-N 3.49Å; V35-N149 HydrophobicContact CG1-CB 4.18Å; V35-M153 HydrophobicContact CG1-CG 4.15Å; V35-M153 HydrophobicContact CG1-SD 4.33Å; V35-Y325 HydrophobicContact CG2-CD2 3.73Å; V35-Y325 HydrophobicContact CG2-CE2 3.9Å; V35-Y330 HydrophobicContact CB-CD1 4.36Å; V35-Y330 HydrophobicContact CB-CE1 4.29Å; V35-Y330 HydrophobicContact CG1-CD1 3.72Å; V35-Y330 HydrophobicContact CG1-CE1 3.49Å; V35-Y330 VanDerWaalsContact CG1-CE1 3.49Å; V35-Y330 HydrophobicContact CG2-CD1 3.95Å; V35-Y330 HydrophobicContact CG2-CD2 4.15Å; V35-Y330 HydrophobicContact CG2-CE1 3.78Å; V35-Y330 HydrophobicContact CG2-CE2 4Å; V35-Y330 HydrophobicContact CG2-CG 4.12Å
36S83.4Confident86.4Confident7 Ų725.2 Ų25.25%0.04913%0.131CC..G310 helixtrans-57.7-21.4177.270.20000114.7D33 P34 E150D33-S36 WeakPolarHBondContact O-CB 3.28Å; D33-S36 PolarHBondContact O-N 3.15Å; D33-S36 PolarHBondContact O-OG 3.46Å; P34-S36 PolarHBondContact O-N 2.8Å; S36-E150 VanDerWaalsContact O-CA 3.32Å; S36-E150 WeakPolarHBondContact O-CA 3.41Å; S36-E150 WeakPolarHBondContact O-CB 3.36Å; S36-E150 WeakPolarHBondContact O-CG 3.34Å
37H84.3Confident86.3Confident28 Ų2828 Ų2813%0.1315%0.148CC..G310 helixtrans-104.5-4.3179.4-65.1-49.2000114P34 V35 Q39 T342 M379 L381P34-H37 PolarHBondContact O-N 3.49Å; V35-H37 PolarHBondContact O-N 2.9Å; V35-H37 VanDerWaalsContact O-N 3.08Å; H37-Q39 PolarHBondContact O-NE2 3.13Å; H37-T342 WeakPolarHBondContact O-CG2 3.11Å; H37-M379 HydrophobicContact CB-SD 3.91Å; H37-L381 WeakPolarHBondContact CD2-CD2 3.26Å
38S87.4Confident86.4Confident0 Ų025.6 Ų25.60%014%0.138CC..  trans-69.1132.1-173.91750000112.9V35 T40 N149 E150 Y330V35-S38 WeakPolarHBondContact O-CB 3.37Å; V35-S38 PolarHBondContact O-N 3.49Å; S38-T40 PolarHBondContact OG-N 3Å; S38-T40 PolarHBondContact OG-OG1 3.08Å; S38-T40 VanDerWaalsContact OG-OG1 3.06Å; S38-N149 WeakPolarHBondContact O-CB 3.38Å; S38-E150 PolarHBondContact O-N 2.79Å; S38-Y330 WeakPolarHBondContact CB-O 3.08Å; S38-Y330 PolarHBondContact OG-O 2.87Å
39Q87.1Confident86.7Confident28 Ų2823.6 Ų23.613%0.13113%0.127CC..  trans-89.9-6177.3-61.4-54.1-58.500113.8H37 R148 E150 L349H37-Q39 PolarHBondContact O-NE2 3.13Å; Q39-R148 VanDerWaalsContact OE1-CD 3.28Å; Q39-E150 PolarHBondContact NE2-OE2 3.12Å; Q39-L349 HydrophobicContact CB-CD1 3.55Å; Q39-L349 HydrophobicContact CG-CD1 4.45Å
40T87.8Confident87Confident16 Ų1624.2 Ų24.210%0.09813%0.131CC..SBendtrans-71163.8177.361.20000111.4S38 R148 N149 L349 L352S38-T40 PolarHBondContact OG-N 3Å; S38-T40 PolarHBondContact OG-OG1 3.08Å; S38-T40 VanDerWaalsContact OG-OG1 3.06Å; T40-R148 CarbonylContact O-C 3.01Å; T40-R148 WeakPolarHBondContact O-CA 3.43Å; T40-N149 PolarHBondContact O-N 2.99Å; T40-N149 PolarHBondContact O-ND2 3.49Å; T40-N149 VanDerWaalsContact O-ND2 3.13Å; T40-N149 PolarHBondContact OG1-ND2 3.28Å; T40-L349 HydrophobicContact CG2-CD2 4.14Å; T40-L352 HydrophobicContact CG2-CD1 4.3Å
41E88.6Confident87.4Confident84 Ų8426.8 Ų26.839%0.39314%0.143SC..EExtended strand (participates in β ladder)trans-66.2134.9179.6-168.2175.1176.400111.7N43 Y144 G146 N149E41-N43 PolarHBondContact O-N 2.75Å; E41-Y144 HydrophobicContact CB-CD1 4.24Å; E41-Y144 HydrophobicContact CG-CD1 4.21Å; E41-Y144 WeakPolarHBondContact OE1-CB 3.3Å; E41-G146 WeakPolarHBondContact OE1-CA 3.43Å; E41-G146 PolarHBondContact OE1-N 2.86Å; E41-N149 PolarHBondContact O-ND2 2.85Å
42A88.3Confident87.9Confident0 Ų026 Ų260%014%0.137CC..EExtended strand (participates in β ladder)trans-68.3124.5179.300000111Y144 M145 I147 N149 F152A42-Y144 WeakPolarHBondContact O-CA 3.49Å; A42-M145 HydrophobicContact CB-SD 4.31Å; A42-M145 PolarHBondContact O-N 3.48Å; A42-I147 HydrophobicContact CB-CG1 4.07Å; A42-I147 WeakPolarHBondContact CB-O 3.36Å; A42-I147 PolarHBondContact N-O 2.98Å; A42-N149 WeakPolarHBondContact CA-OD1 3.43Å; A42-F152 HydrophobicContact CB-CB 3.75Å; A42-F152 HydrophobicContact CB-CG 4.1Å
43N87.8Confident88.3Confident53 Ų5325.6 Ų25.628%0.28314%0.135SC..EExtended strand (participates in β ladder)trans-113.7117.5174.7-175.1-64.7000109.4E41 D143 Y144E41-N43 PolarHBondContact O-N 2.75Å; N43-D143 WeakPolarHBondContact CA-O 3.38Å; N43-Y144 HydrophobicContact CB-CD1 3.94Å; N43-Y144 HydrophobicContact CB-CE1 3.93Å
44V85.8Confident88.7Confident8 Ų827.7 Ų27.75%0.04815%0.147CC..  trans-133.7113.3176.3-169.70000108.5V46 V47 G48 D143 M145 F152V44-V46 PolarHBondContact O-N 3.3Å; V44-V47 HydrophobicContact CB-CB 4.22Å; V44-V47 HydrophobicContact CG1-CB 3.78Å; V44-V47 HydrophobicContact CG1-CG2 4.09Å; V44-V47 PolarHBondContact O-N 3.48Å; V44-G48 WeakPolarHBondContact O-CA 3.38Å; V44-G48 PolarHBondContact O-N 3.26Å; V44-D143 PolarHBondContact N-O 2.88Å; V44-M145 HydrophobicContact CB-SD 4.35Å; V44-M145 HydrophobicContact CG2-SD 3.88Å; V44-F152 HydrophobicContact CG2-CD1 4.37Å; V44-F152 HydrophobicContact CG2-CE1 3.78Å; V44-F152 HydrophobicContact CG2-CE2 4.09Å; V44-F152 HydrophobicContact CG2-CZ 3.63Å
45I85.4Confident88.9Confident106 Ų10631 Ų3154%0.54417%0.168SC..THydrogen-bonded Turntrans-59.3136.3-175.4-49.7175.5000109.7V47 D143I45-V47 PolarHBondContact O-N 3.17Å; I45-D143 VanDerWaalsContact CA-OD1 3.31Å; I45-D143 WeakPolarHBondContact CA-OD1 3.27Å
46V87.9Confident88.9Confident48 Ų4833.8 Ų33.829%0.29118%0.183SC..THydrogen-bonded Turntrans67.3-57.3-172.5-179.50000113.9V44 G48 N49 C50 I116 F120 D143V44-V46 PolarHBondContact O-N 3.3Å; V46-G48 VanDerWaalsContact C-N 3.28Å; V46-G48 PolarHBondContact O-N 3.36Å; V46-N49 WeakPolarHBondContact O-CB 3.13Å; V46-N49 PolarHBondContact O-N 3.21Å; V46-C50 PolarHBondContact O-N 2.89Å; V46-C50 PolarHBondContact O-SG 3.43Å; V46-C50 VanDerWaalsContact O-SG 3.39Å; V46-I116 HydrophobicContact CG1-CG2 4.11Å; V46-F120 HydrophobicContact CB-CD2 3.99Å; V46-F120 HydrophobicContact CB-CE2 4.17Å; V46-F120 HydrophobicContact CG1-CB 4.03Å; V46-F120 HydrophobicContact CG1-CD2 3.77Å; V46-F120 HydrophobicContact CG1-CE2 4.43Å; V46-F120 HydrophobicContact CG1-CG 3.99Å; V46-F120 HydrophobicContact CG2-CD2 3.94Å; V46-F120 HydrophobicContact CG2-CE2 3.77Å; V46-F120 HydrophobicContact CG2-CG 4.4Å; V46-F120 HydrophobicContact CG2-CZ 4.11Å; V46-D143 PolarHBondContact N-OD1 3.46Å
47V88.6Confident89.1Confident73 Ų7335.7 Ų35.744%0.44219%0.19SC..Hα-helixtrans-61.9-38.2-175.6-179.10000111.1V44 I45 C50 F51V44-V47 HydrophobicContact CB-CB 4.22Å; V44-V47 HydrophobicContact CG1-CB 3.78Å; V44-V47 HydrophobicContact CG1-CG2 4.09Å; V44-V47 PolarHBondContact O-N 3.48Å; I45-V47 PolarHBondContact O-N 3.17Å; V47-C50 PolarHBondContact O-N 3.43Å; V47-F51 WeakPolarHBondContact O-CB 3.43Å; V47-F51 PolarHBondContact O-N 2.94Å
48G89.4Confident89.3Confident0 Ų037.9 Ų37.90%020%0.198CC..Hα-helixtrans-67.7-39.1176.800000113.3V44 V46 F51 S52 T142 D143V44-G48 WeakPolarHBondContact O-CA 3.38Å; V44-G48 PolarHBondContact O-N 3.26Å; V46-G48 VanDerWaalsContact C-N 3.28Å; V46-G48 PolarHBondContact O-N 3.36Å; G48-F51 PolarHBondContact O-N 3.25Å; G48-S52 VanDerWaalsContact O-CB 3.29Å; G48-S52 WeakPolarHBondContact O-CB 3.48Å; G48-S52 PolarHBondContact O-N 2.99Å; G48-T142 CarbonylContact C-O 3.59Å; G48-D143 WeakPolarHBondContact CA-O 3.46Å
49N92.8Very high89.3Confident3 Ų338 Ų382%0.01620%0.198CC..Hα-helixtrans-59.4-50.4169.9-84.31.8000110.8V46 F51 F53 F120 H124 I141 T142 D143V46-N49 WeakPolarHBondContact O-CB 3.13Å; V46-N49 PolarHBondContact O-N 3.21Å; N49-F51 PolarHBondContact O-N 2.81Å; N49-F53 WeakPolarHBondContact O-CB 3.31Å; N49-F53 PolarHBondContact O-N 3.4Å; N49-F120 HydrophobicContact CB-CD2 3.85Å; N49-F120 HydrophobicContact CB-CE2 4.14Å; N49-F120 WeakPolarHBondContact ND2-CE2 3.49Å; N49-H124 PolarHBondContact ND2-NE2 3.3Å; N49-I141 HydrophobicContact CB-CG2 4.24Å; N49-I141 VanDerWaalsContact O-CG2 3.28Å; N49-I141 WeakPolarHBondContact O-CG2 3.45Å; N49-T142 WeakPolarHBondContact OD1-CA 3.16Å; N49-T142 PolarHBondContact OD1-N 3.27Å; N49-T142 PolarHBondContact OD1-O 2.74Å; N49-D143 PolarHBondContact OD1-N 3.06Å
50C93.7Very high89.2Confident14 Ų1446.8 Ų46.810%0.09523%0.23CC..Hα-helixtrans-61.1-42.1178.9-65.80000112.4V46 V47 V54 I116 L119 F120V46-C50 PolarHBondContact O-N 2.89Å; V46-C50 PolarHBondContact O-SG 3.43Å; V46-C50 VanDerWaalsContact O-SG 3.39Å; V47-C50 PolarHBondContact O-N 3.43Å; C50-V54 WeakPolarHBondContact O-CG2 3.41Å; C50-V54 PolarHBondContact O-N 2.98Å; C50-I116 PolarHBondContact SG-O 3.43Å; C50-L119 HydrophobicContact CB-CB 4.26Å; C50-F120 PolarHBondContact SG-N 2.96Å; C50-F120 VanDerWaalsContact SG-N 3.44Å
51F92.4Very high89.2Confident67 Ų6747.7 Ų47.729%0.29424%0.243SC..Hα-helixtrans-64.6-56.7176.6-175.2-97.6000111.2V47 G48 N49 F53 V54 T55 M145 I147V47-F51 WeakPolarHBondContact O-CB 3.43Å; V47-F51 PolarHBondContact O-N 2.94Å; G48-F51 PolarHBondContact O-N 3.25Å; N49-F51 PolarHBondContact O-N 2.81Å; F51-F53 PolarHBondContact O-N 3.14Å; F51-F53 VanDerWaalsContact O-N 3.16Å; F51-V54 PolarHBondContact O-N 3.42Å; F51-T55 VanDerWaalsContact CD1-OG1 3.3Å; F51-T55 WeakPolarHBondContact CD1-OG1 3.18Å; F51-T55 HydrophobicContact CD2-CG2 3.95Å; F51-T55 WeakPolarHBondContact CE1-OG1 3.47Å; F51-T55 HydrophobicContact CE2-CG2 3.77Å; F51-T55 HydrophobicContact CZ-CG2 4.17Å; F51-T55 VanDerWaalsContact CZ-OG1 3.31Å; F51-T55 WeakPolarHBondContact CZ-OG1 3.44Å; F51-T55 PolarHBondContact O-N 3.15Å; F51-T55 PolarHBondContact O-OG1 3.42Å; F51-M145 HydrophobicContact CB-CE 3.91Å; F51-M145 HydrophobicContact CD1-CB 3.9Å; F51-M145 HydrophobicContact CD1-CE 3.8Å; F51-M145 HydrophobicContact CD1-CG 4.21Å; F51-M145 HydrophobicContact CD2-CE 3.97Å; F51-M145 HydrophobicContact CE1-CB 4.28Å; F51-M145 HydrophobicContact CE1-CE 4.28Å; F51-M145 WeakPolarHBondContact CE1-O 3.34Å; F51-M145 HydrophobicContact CE2-CE 4.44Å; F51-M145 HydrophobicContact CG-CE 3.62Å; F51-I147 HydrophobicContact CE1-CG2 4.5Å
52S91.4Very high89.2Confident0 Ų048.2 Ų48.20%025%0.251CS..Hα-helixtrans-62.4-23.8179.6-77.60000113.3G48 N56 K68 I141 Y144G48-S52 VanDerWaalsContact O-CB 3.29Å; G48-S52 WeakPolarHBondContact O-CB 3.48Å; G48-S52 PolarHBondContact O-N 2.99Å; S52-N56 CarbonylContact O-C 3.55Å; S52-N56 VanDerWaalsContact O-O 3.13Å; S52-K68 PolarHBondContact O-NZ 3.09Å; S52-I141 WeakPolarHBondContact O-CD1 3.46Å; S52-Y144 PolarHBondContact OG-O 3.5Å
53F93.9Very high89.3Confident0 Ų050.8 Ų50.80%028%0.278CS..Hα-helixtrans-76.6-26.7172.4-174.3-135.6000113.8N49 F51 K68 L71 W72 L119 F122 Y126 I141N49-F53 WeakPolarHBondContact O-CB 3.31Å; N49-F53 PolarHBondContact O-N 3.4Å; F51-F53 PolarHBondContact O-N 3.14Å; F51-F53 VanDerWaalsContact O-N 3.16Å; F53-K68 HydrophobicContact CD2-CG 4.35Å; F53-K68 HydrophobicContact CE2-CG 4.25Å; F53-K68 WeakPolarHBondContact O-CE 3.39Å; F53-L71 HydrophobicContact CE2-CB 4.46Å; F53-L71 HydrophobicContact CZ-CB 3.89Å; F53-W72 HydrophobicContact CD1-CB 3.9Å; F53-W72 HydrophobicContact CE1-CB 3.55Å; F53-W72 HydrophobicContact CZ-CB 3.92Å; F53-L119 HydrophobicContact CD1-CD2 4.12Å; F53-L119 HydrophobicContact CE1-CD2 4.31Å; F53-F122 HydrophobicContact CE1-CB 3.71Å; F53-F122 HydrophobicContact CZ-CB 4Å; F53-Y126 AromaticContact CD2-CD1 3.99Å; F53-Y126 HydrophobicContact CD2-CD1 3.99Å; F53-Y126 HydrophobicContact CD2-CG 4.34Å; F53-Y126 AromaticContact CE2-CD1 3.87Å; F53-Y126 HydrophobicContact CE2-CD1 3.87Å; F53-Y126 AromaticContact CE2-CG 3.76Å; F53-Y126 HydrophobicContact CE2-CG 3.76Å; F53-I141 HydrophobicContact CB-CG1 4.46Å; F53-I141 HydrophobicContact CB-CG2 4.19Å; F53-I141 HydrophobicContact CD2-CG1 4.34Å
54V93.6Very high89.5Confident45 Ų4550.8 Ų50.827%0.27327%0.274SS..Hα-helixtrans-99.8-42.5-180175.90000112.8C50 F51 Y58 W72 L119C50-V54 WeakPolarHBondContact O-CG2 3.41Å; C50-V54 PolarHBondContact O-N 2.98Å; F51-V54 PolarHBondContact O-N 3.42Å; V54-Y58 WeakPolarHBondContact O-CE2 3.31Å; V54-Y58 PolarHBondContact O-OH 3.44Å; V54-W72 HydrophobicContact CG2-CB 4.17Å; V54-W72 HydrophobicContact CG2-CD2 4.36Å; V54-W72 HydrophobicContact CG2-CG 4.15Å; V54-L119 HydrophobicContact CG2-CD2 3.96Å
55T90.3Very high89.8Confident72 Ų7255.7 Ų55.744%0.44229%0.292SS..THydrogen-bonded Turntrans-105.3-37.6-167.365.80000114.3F51F51-T55 VanDerWaalsContact CD1-OG1 3.3Å; F51-T55 WeakPolarHBondContact CD1-OG1 3.18Å; F51-T55 HydrophobicContact CD2-CG2 3.95Å; F51-T55 WeakPolarHBondContact CE1-OG1 3.47Å; F51-T55 HydrophobicContact CE2-CG2 3.77Å; F51-T55 HydrophobicContact CZ-CG2 4.17Å; F51-T55 VanDerWaalsContact CZ-OG1 3.31Å; F51-T55 WeakPolarHBondContact CZ-OG1 3.44Å; F51-T55 PolarHBondContact O-N 3.15Å; F51-T55 PolarHBondContact O-OG1 3.42Å
56N87.9Confident90.2Very high58 Ų5855.8 Ų55.831%0.3129%0.292SS..SBendtrans-112.9-171.4-167.3-153.8-17.5000112.2S52 Y58 K68 M145 G146S52-N56 CarbonylContact O-C 3.55Å; S52-N56 VanDerWaalsContact O-O 3.13Å; N56-Y58 WeakPolarHBondContact O-CD2 3.26Å; N56-Y58 PolarHBondContact O-N 3.3Å; N56-Y58 VanDerWaalsContact O-N 3.12Å; N56-K68 PolarHBondContact O-NZ 3.2Å; N56-M145 PolarHBondContact ND2-O 2.95Å; N56-G146 WeakPolarHBondContact ND2-CA 3.45Å
57K86.2Confident90.4Very high47 Ų4756.1 Ų56.120%0.20429%0.292CS..  trans4550.7168.1-62.6-171.4171.3-171.40114.3K68 I140 I141 T142K57-K68 PolarHBondContact O-NZ 2.7Å; K57-I140 VanDerWaalsContact CD-O 3.25Å; K57-I140 WeakPolarHBondContact CD-O 3.2Å; K57-I140 PolarHBondContact NZ-O 3.12Å; K57-I141 HydrophobicContact CB-CD1 4.04Å; K57-I141 HydrophobicContact CD-CD1 4.38Å; K57-T142 PolarHBondContact NZ-OG1 2.77Å
58Y89Confident90.7Very high73 Ų7352.6 Ų52.629%0.28627%0.271SS..  trans-91122.8176.8-84-84.8000110.8V54 N56 R65 K68 V69 W72V54-Y58 WeakPolarHBondContact O-CE2 3.31Å; V54-Y58 PolarHBondContact O-OH 3.44Å; N56-Y58 WeakPolarHBondContact O-CD2 3.26Å; N56-Y58 PolarHBondContact O-N 3.3Å; N56-Y58 VanDerWaalsContact O-N 3.12Å; Y58-R65 HydrophobicContact CD1-CB 4.38Å; Y58-R65 HydrophobicContact CD1-CG 4.1Å; Y58-K68 HydrophobicContact CD1-CD 3.79Å; Y58-K68 HydrophobicContact CD1-CG 4.44Å; Y58-K68 HydrophobicContact CE1-CB 4.19Å; Y58-K68 HydrophobicContact CE1-CD 3.71Å; Y58-K68 HydrophobicContact CE1-CG 3.98Å; Y58-K68 HydrophobicContact CG-CD 4.34Å; Y58-V69 HydrophobicContact CE1-CG2 4.06Å; Y58-W72 PolarHBondContact OH-NE1 2.75Å
59P88.3Confident91Very high2 Ų255 Ų551%0.01329%0.285CS..  trans-63.5153.5178-24.335.2000113.5G61 W64 R65 Y126 Y139P59-G61 VanDerWaalsContact C-N 3.34Å; P59-G61 PolarHBondContact O-N 3.3Å; P59-W64 HydrophobicContact CB-CB 3.73Å; P59-W64 HydrophobicContact CB-CG 4.33Å; P59-W64 HydrophobicContact CG-CB 3.95Å; P59-R65 VanDerWaalsContact O-CD 3.25Å; P59-R65 WeakPolarHBondContact O-CD 3.35Å; P59-R65 WeakPolarHBondContact O-CG 3.48Å; P59-R65 PolarHBondContact O-NE 3.07Å; P59-Y126 WeakPolarHBondContact CD-OH 3.48Å; P59-Y126 WeakPolarHBondContact CG-OH 3.49Å; P59-Y139 HydrophobicContact CB-CD1 4.26Å; P59-Y139 HydrophobicContact CB-CD2 4.14Å; P59-Y139 HydrophobicContact CB-CE1 4.37Å; P59-Y139 HydrophobicContact CB-CE2 4.26Å; P59-Y139 HydrophobicContact CB-CG 4.14Å; P59-Y139 HydrophobicContact CG-CD1 4.11Å; P59-Y139 HydrophobicContact CG-CD2 4.15Å; P59-Y139 HydrophobicContact CG-CG 3.8Å
60R84.5Confident91.1Very high214 Ų21459.5 Ų59.581%0.80831%0.309SS*.SBendtrans-64.3-35.6179.5-68.5178179.1162.70.2112.9R65R60-R65 PolarHBondContact O-NE 3.36Å; R60-R65 PolarHBondContact O-NH2 3.42Å
61G86.9Confident91.2Very high35 Ų3559.6 Ų59.636%0.36131%0.308SS..SBendtrans-63.9135.3179.500000113.1P59 W64 R65P59-G61 VanDerWaalsContact C-N 3.34Å; P59-G61 PolarHBondContact O-N 3.3Å; G61-W64 PolarHBondContact O-N 2.69Å; G61-R65 PolarHBondContact O-N 2.8Å
62V89.6Confident91.4Very high94 Ų9458.8 Ų58.857%0.5730%0.303SS*.Hα-helixtrans-64.6-45.4-176.4178.60000111.7W64 R65 I66V62-W64 VanDerWaalsContact C-N 3.31Å; V62-W64 PolarHBondContact O-N 3.23Å; V62-R65 PolarHBondContact O-N 3.33Å; V62-R65 VanDerWaalsContact O-N 3.11Å; V62-I66 HydrophobicContact CG1-CD1 3.89Å; V62-I66 HydrophobicContact CG1-CG1 4.45Å; V62-I66 WeakPolarHBondContact O-CG1 3.05Å; V62-I66 PolarHBondContact O-N 3.09Å
63G90.6Very high91.6Very high54 Ų5463 Ų6356%0.55733%0.326SS*.Hα-helixtrans-58.1-40.7177.400000113.1R65 I66 L67G63-R65 VanDerWaalsContact C-N 3.35Å; G63-R65 PolarHBondContact O-N 3.23Å; G63-I66 PolarHBondContact O-N 3.24Å; G63-L67 WeakPolarHBondContact O-CB 3.16Å; G63-L67 PolarHBondContact O-N 3.45Å
64W90.5Very high91.7Very high54 Ų5466.3 Ų66.321%0.20534%0.343CS..Hα-helixtrans-64.7-34.5175.9-74.9115.3000113.5P59 G61 V62 L67 K68 I129 L130 D133P59-W64 HydrophobicContact CB-CB 3.73Å; P59-W64 HydrophobicContact CB-CG 4.33Å; P59-W64 HydrophobicContact CG-CB 3.95Å; G61-W64 PolarHBondContact O-N 2.69Å; V62-W64 VanDerWaalsContact C-N 3.31Å; V62-W64 PolarHBondContact O-N 3.23Å; W64-L67 HydrophobicContact CE3-CD2 3.87Å; W64-L67 HydrophobicContact CZ3-CD2 3.76Å; W64-K68 WeakPolarHBondContact O-CB 3.48Å; W64-K68 PolarHBondContact O-N 3.46Å; W64-I129 HydrophobicContact CH2-CG2 4.13Å; W64-I129 HydrophobicContact CZ3-CG2 3.92Å; W64-L130 HydrophobicContact CD2-CD2 4.4Å; W64-L130 HydrophobicContact CE3-CD2 3.73Å; W64-L130 HydrophobicContact CH2-CD2 4.21Å; W64-L130 HydrophobicContact CZ3-CD2 3.63Å; W64-D133 HydrophobicContact CH2-CB 4.1Å; W64-D133 HydrophobicContact CZ2-CB 3.87Å
65R92.4Very high91.8Very high111 Ų11164.2 Ų64.242%0.41933%0.33SS..Hα-helixtrans-69.6-43.8173.5-67.4-175-95.9157.2-7.3111.5Y58 P59 R60 G61 V62 G63 K68 V69Y58-R65 HydrophobicContact CD1-CB 4.38Å; Y58-R65 HydrophobicContact CD1-CG 4.1Å; P59-R65 VanDerWaalsContact O-CD 3.25Å; P59-R65 WeakPolarHBondContact O-CD 3.35Å; P59-R65 WeakPolarHBondContact O-CG 3.48Å; P59-R65 PolarHBondContact O-NE 3.07Å; R60-R65 PolarHBondContact O-NE 3.36Å; R60-R65 PolarHBondContact O-NH2 3.42Å; G61-R65 PolarHBondContact O-N 2.8Å; V62-R65 PolarHBondContact O-N 3.33Å; V62-R65 VanDerWaalsContact O-N 3.11Å; G63-R65 VanDerWaalsContact C-N 3.35Å; G63-R65 PolarHBondContact O-N 3.23Å; R65-K68 PolarHBondContact O-N 3.23Å; R65-V69 WeakPolarHBondContact O-CG2 3.29Å; R65-V69 PolarHBondContact O-N 3.45Å
66I93.9Very high92.1Very high108 Ų10863.4 Ų63.455%0.55432%0.323SS*.Hα-helixtrans-61-45.7175.4-66169.6000110.6V62 G63 K68 V69 L70V62-I66 HydrophobicContact CG1-CD1 3.89Å; V62-I66 HydrophobicContact CG1-CG1 4.45Å; V62-I66 WeakPolarHBondContact O-CG1 3.05Å; V62-I66 PolarHBondContact O-N 3.09Å; G63-I66 PolarHBondContact O-N 3.24Å; I66-K68 PolarHBondContact O-N 3.2Å; I66-V69 PolarHBondContact O-N 2.86Å; I66-L70 WeakPolarHBondContact O-CB 3.25Å; I66-L70 PolarHBondContact O-N 3.42Å
67L93.1Very high92.3Very high54 Ų5463.6 Ų63.628%0.28332%0.323SS..Hα-helixtrans-59.8-46.7176.5178.862.5000111.8G63 W64 V69 L70 L71 I129G63-L67 WeakPolarHBondContact O-CB 3.16Å; G63-L67 PolarHBondContact O-N 3.45Å; W64-L67 HydrophobicContact CE3-CD2 3.87Å; W64-L67 HydrophobicContact CZ3-CD2 3.76Å; L67-V69 PolarHBondContact O-N 2.86Å; L67-L70 PolarHBondContact O-N 3.15Å; L67-L71 HydrophobicContact CD1-CD1 3.86Å; L67-L71 HydrophobicContact CD1-CG 4.05Å; L67-L71 HydrophobicContact CG-CD1 3.86Å; L67-L71 HydrophobicContact CG-CG 4.44Å; L67-L71 WeakPolarHBondContact O-CB 3.39Å; L67-L71 VanDerWaalsContact O-CG 3.29Å; L67-L71 WeakPolarHBondContact O-CG 3.47Å; L67-L71 PolarHBondContact O-N 3.39Å; L67-I129 HydrophobicContact CD2-CG2 4.25Å
68K94.4Very high92.7Very high0 Ų063.2 Ų63.20%033%0.325CS..Hα-helixtrans-60-45.4178.1-172.5171.1177.6176.70111.8S52 F53 N56 K57 Y58 W64 R65 I66 L71 W72 Y126S52-K68 PolarHBondContact O-NZ 3.09Å; F53-K68 HydrophobicContact CD2-CG 4.35Å; F53-K68 HydrophobicContact CE2-CG 4.25Å; F53-K68 WeakPolarHBondContact O-CE 3.39Å; N56-K68 PolarHBondContact O-NZ 3.2Å; K57-K68 PolarHBondContact O-NZ 2.7Å; Y58-K68 HydrophobicContact CD1-CD 3.79Å; Y58-K68 HydrophobicContact CD1-CG 4.44Å; Y58-K68 HydrophobicContact CE1-CB 4.19Å; Y58-K68 HydrophobicContact CE1-CD 3.71Å; Y58-K68 HydrophobicContact CE1-CG 3.98Å; Y58-K68 HydrophobicContact CG-CD 4.34Å; W64-K68 WeakPolarHBondContact O-CB 3.48Å; W64-K68 PolarHBondContact O-N 3.46Å; R65-K68 PolarHBondContact O-N 3.23Å; I66-K68 PolarHBondContact O-N 3.2Å; K68-L71 PolarHBondContact O-N 3.12Å; K68-W72 PolarHBondContact O-N 3.12Å; K68-Y126 HydrophobicContact CB-CE1 4.48Å; K68-Y126 HydrophobicContact CB-CE2 3.96Å; K68-Y126 HydrophobicContact CD-CE1 3.76Å; K68-Y126 HydrophobicContact CG-CE1 4.03Å; K68-Y126 HydrophobicContact CG-CE2 4.32Å
69V95.5Very high93Very high50 Ų5059.8 Ų59.830%0.30331%0.311SS..Hα-helixtrans-62.9-45.7176.4171.30000112Y58 R65 I66 L67 L71 W72 L73Y58-V69 HydrophobicContact CE1-CG2 4.06Å; R65-V69 WeakPolarHBondContact O-CG2 3.29Å; R65-V69 PolarHBondContact O-N 3.45Å; I66-V69 PolarHBondContact O-N 2.86Å; L67-V69 PolarHBondContact O-N 2.86Å; V69-L71 VanDerWaalsContact C-N 3.32Å; V69-L71 PolarHBondContact O-N 3.08Å; V69-W72 HydrophobicContact CG1-CZ2 4.13Å; V69-W72 HydrophobicContact CG2-CZ2 4.34Å; V69-W72 PolarHBondContact O-N 2.94Å; V69-L73 HydrophobicContact CG1-CD1 3.72Å; V69-L73 HydrophobicContact CG1-CG 4.38Å; V69-L73 WeakPolarHBondContact O-CB 3.4Å; V69-L73 VanDerWaalsContact O-CG 3.29Å; V69-L73 WeakPolarHBondContact O-CG 3.2Å; V69-L73 PolarHBondContact O-N 2.89Å
70L95.6Very high93.2Very high98 Ų9862 Ų6251%0.51332%0.323SS..Hα-helixtrans-60.5-42.3177.2-175.4152.7000111.5I66 L67 L74I66-L70 WeakPolarHBondContact O-CB 3.25Å; I66-L70 PolarHBondContact O-N 3.42Å; L67-L70 PolarHBondContact O-N 3.15Å; L70-L74 VanDerWaalsContact O-CB 3.26Å; L70-L74 WeakPolarHBondContact O-CB 2.93Å; L70-L74 PolarHBondContact O-N 2.8Å
71L95.7Very high93.4Very high16 Ų1654 Ų548%0.08430%0.296CS..Hα-helixtrans-68.6-42.3-179.7-71.8170.3000112.8F53 L67 K68 V69 L74 A75 F122 Y126 I129F53-L71 HydrophobicContact CE2-CB 4.46Å; F53-L71 HydrophobicContact CZ-CB 3.89Å; L67-L71 HydrophobicContact CD1-CD1 3.86Å; L67-L71 HydrophobicContact CD1-CG 4.05Å; L67-L71 HydrophobicContact CG-CD1 3.86Å; L67-L71 HydrophobicContact CG-CG 4.44Å; L67-L71 WeakPolarHBondContact O-CB 3.39Å; L67-L71 VanDerWaalsContact O-CG 3.29Å; L67-L71 WeakPolarHBondContact O-CG 3.47Å; L67-L71 PolarHBondContact O-N 3.39Å; K68-L71 PolarHBondContact O-N 3.12Å; V69-L71 VanDerWaalsContact C-N 3.32Å; V69-L71 PolarHBondContact O-N 3.08Å; L71-L74 PolarHBondContact O-N 3.4Å; L71-A75 WeakPolarHBondContact O-CB 3.24Å; L71-A75 PolarHBondContact O-N 3.34Å; L71-F122 HydrophobicContact CB-CD1 4.35Å; L71-F122 HydrophobicContact CD2-CD1 4.09Å; L71-F122 HydrophobicContact CD2-CE1 4.2Å; L71-F122 WeakPolarHBondContact O-CD1 3.2Å; L71-Y126 HydrophobicContact CD1-CD2 3.68Å; L71-Y126 HydrophobicContact CD1-CG 4.36Å; L71-I129 HydrophobicContact CD1-CD1 4.13Å
72W96Very high93.7Very high49 Ų4953 Ų5319%0.18628%0.284CS..Hα-helixtrans-73.6-31176.769.6-118000113F53 V54 Y58 K68 V69 A75 I76 L119F53-W72 HydrophobicContact CD1-CB 3.9Å; F53-W72 HydrophobicContact CE1-CB 3.55Å; F53-W72 HydrophobicContact CZ-CB 3.92Å; V54-W72 HydrophobicContact CG2-CB 4.17Å; V54-W72 HydrophobicContact CG2-CD2 4.36Å; V54-W72 HydrophobicContact CG2-CG 4.15Å; Y58-W72 PolarHBondContact OH-NE1 2.75Å; K68-W72 PolarHBondContact O-N 3.12Å; V69-W72 HydrophobicContact CG1-CZ2 4.13Å; V69-W72 HydrophobicContact CG2-CZ2 4.34Å; V69-W72 PolarHBondContact O-N 2.94Å; W72-A75 WeakPolarHBondContact O-CB 3.27Å; W72-A75 PolarHBondContact O-N 3.33Å; W72-I76 HydrophobicContact CE3-CD1 3.76Å; W72-I76 HydrophobicContact CZ3-CD1 3.97Å; W72-I76 WeakPolarHBondContact O-CG1 3.35Å; W72-I76 PolarHBondContact O-N 3.17Å; W72-L119 HydrophobicContact CB-CD2 3.93Å
73L95.9Very high93.8Very high90 Ų9048.5 Ų48.547%0.47126%0.256SS..Hα-helixtrans-63.8-42.1169.5-75.3169.9000111.8V69 A75 I76 L77V69-L73 HydrophobicContact CG1-CD1 3.72Å; V69-L73 HydrophobicContact CG1-CG 4.38Å; V69-L73 WeakPolarHBondContact O-CB 3.4Å; V69-L73 VanDerWaalsContact O-CG 3.29Å; V69-L73 WeakPolarHBondContact O-CG 3.2Å; V69-L73 PolarHBondContact O-N 2.89Å; L73-A75 VanDerWaalsContact C-N 3.35Å; L73-I76 PolarHBondContact O-N 2.78Å; L73-L77 PolarHBondContact O-N 3.37Å
74L95.9Very high93.7Very high69 Ų6946.3 Ų46.336%0.36123%0.232SC..Hα-helixtrans-67.2-35.6175.8-176.457.3000112L70 L71 L77 T78 F122L70-L74 VanDerWaalsContact O-CB 3.26Å; L70-L74 WeakPolarHBondContact O-CB 2.93Å; L70-L74 PolarHBondContact O-N 2.8Å; L71-L74 PolarHBondContact O-N 3.4Å; L74-L77 PolarHBondContact O-N 3.29Å; L74-T78 HydrophobicContact CD1-CG2 4.07Å; L74-T78 HydrophobicContact CG-CG2 4.46Å; L74-T78 WeakPolarHBondContact O-CB 3.38Å; L74-T78 WeakPolarHBondContact O-CG2 3.29Å; L74-T78 PolarHBondContact O-N 2.85Å; L74-T78 PolarHBondContact O-OG1 2.69Å; L74-F122 HydrophobicContact CB-CE1 4.21Å; L74-F122 HydrophobicContact CD2-CE1 3.93Å; L74-F122 HydrophobicContact CD2-CZ 4.27Å; L74-F122 HydrophobicContact CG-CE1 3.92Å; L74-F122 HydrophobicContact CG-CZ 4.04Å
75A96.4Very high93.6Very high0 Ų046 Ų460%023%0.232CC..Hα-helixtrans-62.7-43.1172.800000112.1L71 W72 L73 T78 G79 F118 L119 F122L71-A75 WeakPolarHBondContact O-CB 3.24Å; L71-A75 PolarHBondContact O-N 3.34Å; W72-A75 WeakPolarHBondContact O-CB 3.27Å; W72-A75 PolarHBondContact O-N 3.33Å; L73-A75 VanDerWaalsContact C-N 3.35Å; A75-T78 PolarHBondContact O-OG1 2.76Å; A75-G79 PolarHBondContact O-N 2.62Å; A75-F118 WeakPolarHBondContact O-CB 3.3Å; A75-L119 HydrophobicContact CB-CD2 3.87Å; A75-L119 HydrophobicContact CB-CG 4.23Å; A75-F122 HydrophobicContact CB-CB 3.6Å; A75-F122 HydrophobicContact CB-CD1 4.11Å; A75-F122 HydrophobicContact CB-CD2 3.81Å; A75-F122 HydrophobicContact CB-CG 3.57Å
76I95.3Very high93.4Very high56 Ų5644.7 Ų44.729%0.28723%0.233SC..Hα-helixtrans-62.7-49.5174-67.9169.3000110.3W72 L73 T78 G79 L80 T115 L119W72-I76 HydrophobicContact CE3-CD1 3.76Å; W72-I76 HydrophobicContact CZ3-CD1 3.97Å; W72-I76 WeakPolarHBondContact O-CG1 3.35Å; W72-I76 PolarHBondContact O-N 3.17Å; L73-I76 PolarHBondContact O-N 2.78Å; I76-T78 PolarHBondContact O-N 2.73Å; I76-G79 PolarHBondContact O-N 2.88Å; I76-L80 HydrophobicContact CG2-CD1 4.1Å; I76-L80 HydrophobicContact CG2-CG 4.37Å; I76-L80 WeakPolarHBondContact O-CG 3.49Å; I76-L80 PolarHBondContact O-N 3.43Å; I76-T115 HydrophobicContact CB-CG2 4.28Å; I76-T115 HydrophobicContact CG1-CG2 3.92Å; I76-T115 HydrophobicContact CG2-CG2 4.27Å; I76-L119 HydrophobicContact CG1-CD1 4.26Å; I76-L119 HydrophobicContact CG1-CD2 4.18Å; I76-L119 HydrophobicContact CG1-CG 4.37Å
77L93.3Very high93.3Very high62 Ų6242 Ų4233%0.32522%0.217SC..Hα-helixtrans-61-46.9-178.617756.3000112.7L73 L74 L80 I81 F286L73-L77 PolarHBondContact O-N 3.37Å; L74-L77 PolarHBondContact O-N 3.29Å; L77-L80 PolarHBondContact O-N 2.73Å; L77-I81 HydrophobicContact CD1-CD1 3.73Å; L77-I81 HydrophobicContact CD1-CG1 4.27Å; L77-I81 HydrophobicContact CG-CD1 4.03Å; L77-I81 WeakPolarHBondContact O-CG1 3.45Å; L77-I81 PolarHBondContact O-N 3.41Å; L77-I81 VanDerWaalsContact O-N 3.11Å; L77-F286 HydrophobicContact CD1-CE1 3.88Å; L77-F286 HydrophobicContact CD1-CE2 4.18Å; L77-F286 HydrophobicContact CD1-CZ 3.38Å; L77-F286 HydrophobicContact CD2-CZ 4.41Å
78T94.3Very high93Very high39 Ų3939.6 Ų39.624%0.23920%0.204CC..Hα-helixtrans-66.5-38.5177.249.60000111.7L74 A75 I76 I81 A82 F118L74-T78 HydrophobicContact CD1-CG2 4.07Å; L74-T78 HydrophobicContact CG-CG2 4.46Å; L74-T78 WeakPolarHBondContact O-CB 3.38Å; L74-T78 WeakPolarHBondContact O-CG2 3.29Å; L74-T78 PolarHBondContact O-N 2.85Å; L74-T78 PolarHBondContact O-OG1 2.69Å; A75-T78 PolarHBondContact O-OG1 2.76Å; I76-T78 PolarHBondContact O-N 2.73Å; T78-I81 PolarHBondContact O-N 3.01Å; T78-A82 VanDerWaalsContact O-CB 3.28Å; T78-A82 WeakPolarHBondContact O-CB 3.42Å; T78-A82 PolarHBondContact O-N 3.22Å; T78-F118 VanDerWaalsContact OG1-CD1 3.25Å; T78-F118 WeakPolarHBondContact OG1-CD1 3.02Å
79G94.6Very high92.6Very high0 Ų042.3 Ų42.30%022%0.217CC..Hα-helixtrans-59.4-46.1173.600000113.6A75 I76 G83 S114A75-G79 PolarHBondContact O-N 2.62Å; I76-G79 PolarHBondContact O-N 2.88Å; G79-G83 PolarHBondContact O-N 2.95Å; G79-S114 WeakPolarHBondContact O-CB 3.14Å; G79-S114 PolarHBondContact O-OG 3.41Å
80L91.7Very high92.1Very high49 Ų4947.5 Ų47.526%0.25723%0.231SC..Hα-helixtrans-61.6-49.9174.8-67.8175.3000111.6I76 L77 A82 G83 K84 M111 Y294I76-L80 HydrophobicContact CG2-CD1 4.1Å; I76-L80 HydrophobicContact CG2-CG 4.37Å; I76-L80 WeakPolarHBondContact O-CG 3.49Å; I76-L80 PolarHBondContact O-N 3.43Å; L77-L80 PolarHBondContact O-N 2.73Å; L80-A82 PolarHBondContact O-N 3.1Å; L80-G83 PolarHBondContact O-N 3.01Å; L80-G83 VanDerWaalsContact O-N 3.17Å; L80-K84 PolarHBondContact O-N 2.97Å; L80-K84 VanDerWaalsContact O-N 3.11Å; L80-M111 HydrophobicContact CD2-CB 3.85Å; L80-M111 HydrophobicContact CD2-CG 4.43Å; L80-M111 HydrophobicContact CD2-SD 4.39Å; L80-M111 WeakPolarHBondContact O-CG 3.08Å; L80-Y294 PolarHBondContact O-OH 2.77Å
81I90.3Very high91.7Very high46 Ų4645.7 Ų45.724%0.23622%0.222CC..Hα-helixtrans-61.5-47.1-179.2-68.9168.4000110.9L77 T78 G83 K84 F85 F290L77-I81 HydrophobicContact CD1-CD1 3.73Å; L77-I81 HydrophobicContact CD1-CG1 4.27Å; L77-I81 HydrophobicContact CG-CD1 4.03Å; L77-I81 WeakPolarHBondContact O-CG1 3.45Å; L77-I81 PolarHBondContact O-N 3.41Å; L77-I81 VanDerWaalsContact O-N 3.11Å; T78-I81 PolarHBondContact O-N 3.01Å; I81-G83 VanDerWaalsContact C-N 3.31Å; I81-G83 PolarHBondContact O-N 3Å; I81-K84 PolarHBondContact O-N 3.06Å; I81-F85 HydrophobicContact CG2-CD2 3.99Å; I81-F85 WeakPolarHBondContact O-CD2 3.34Å; I81-F85 PolarHBondContact O-N 3.25Å; I81-F290 HydrophobicContact CD1-CE2 4.18Å; I81-F290 HydrophobicContact CD1-CZ 4.07Å; I81-F290 HydrophobicContact CG1-CE2 4.46Å; I81-F290 HydrophobicContact CG1-CZ 4.23Å; I81-F290 HydrophobicContact CG2-CE1 4.38Å; I81-F290 HydrophobicContact CG2-CZ 3.85Å
82A92.8Very high91.3Very high13 Ų1347.3 Ų47.311%0.10723%0.228CC..Hα-helixtrans-63.4-37.9175.800000111.7T78 L80 K84 L86 F87 F118T78-A82 VanDerWaalsContact O-CB 3.28Å; T78-A82 WeakPolarHBondContact O-CB 3.42Å; T78-A82 PolarHBondContact O-N 3.22Å; L80-A82 PolarHBondContact O-N 3.1Å; A82-K84 VanDerWaalsContact C-N 3.35Å; A82-K84 PolarHBondContact O-N 3.29Å; A82-L86 HydrophobicContact CB-CB 4.47Å; A82-L86 WeakPolarHBondContact O-CA 3.37Å; A82-L86 VanDerWaalsContact O-CB 3.24Å; A82-L86 WeakPolarHBondContact O-CB 3.45Å; A82-L86 PolarHBondContact O-N 3.42Å; A82-F87 HydrophobicContact CB-CE2 4.4Å; A82-F87 WeakPolarHBondContact O-CD2 3.42Å; A82-F87 PolarHBondContact O-N 2.99Å; A82-F118 HydrophobicContact CB-CD2 4.4Å; A82-F118 HydrophobicContact CB-CE2 3.54Å; A82-F118 HydrophobicContact CB-CZ 3.74Å
83G91.1Very high90.6Very high0 Ų046.3 Ų46.30%023%0.233CC..Iπ-helixtrans-58.5-42.4177.300000113.6G79 L80 I81 H88 T110 S114G79-G83 PolarHBondContact O-N 2.95Å; L80-G83 PolarHBondContact O-N 3.01Å; L80-G83 VanDerWaalsContact O-N 3.17Å; I81-G83 VanDerWaalsContact C-N 3.31Å; I81-G83 PolarHBondContact O-N 3Å; G83-H88 WeakPolarHBondContact O-CB 3.36Å; G83-H88 PolarHBondContact O-N 3.01Å; G83-T110 PolarHBondContact O-OG1 2.95Å; G83-S114 PolarHBondContact N-OG 3.41Å
84K88.3Confident89.9Confident8 Ų847.2 Ų47.24%0.03524%0.235CC..Iπ-helixtrans-79.2-52.7177.3-175.8154.6177.8147.10112.9L80 I81 A82 H88 Q89 D104 M111 Y294 R295L80-K84 PolarHBondContact O-N 2.97Å; L80-K84 VanDerWaalsContact O-N 3.11Å; I81-K84 PolarHBondContact O-N 3.06Å; A82-K84 VanDerWaalsContact C-N 3.35Å; A82-K84 PolarHBondContact O-N 3.29Å; K84-H88 WeakPolarHBondContact O-CB 3.2Å; K84-Q89 WeakPolarHBondContact O-CG 3.27Å; K84-Q89 PolarHBondContact O-N 3.49Å; K84-D104 VanDerWaalsContact CE-OD1 3.29Å; K84-D104 WeakPolarHBondContact CE-OD1 3.48Å; K84-D104 IonicContact NZ-OD1 2.68Å; K84-D104 PolarHBondContact NZ-OD1 3.02Å; K84-D104 IonicContact NZ-OD2 2.72Å; K84-D104 PolarHBondContact NZ-OD2 2.95Å; K84-M111 HydrophobicContact CB-CG 4.26Å; K84-M111 HydrophobicContact CB-SD 4.14Å; K84-Y294 HydrophobicContact CB-CE2 4.45Å; K84-Y294 HydrophobicContact CD-CE2 4.07Å; K84-R295 PolarHBondContact NZ-O 3.09Å
85F88.6Confident89.3Confident47 Ų4749.9 Ų49.921%0.20625%0.249CC..Iπ-helixtrans-86.1-38.3-170.9-64.4-73.8000114.1I81 R90 F290 Y294I81-F85 HydrophobicContact CG2-CD2 3.99Å; I81-F85 WeakPolarHBondContact O-CD2 3.34Å; I81-F85 PolarHBondContact O-N 3.25Å; F85-R90 WeakPolarHBondContact O-CB 3.14Å; F85-R90 PolarHBondContact O-N 3.33Å; F85-F290 HydrophobicContact CD2-CD1 4.49Å; F85-F290 HydrophobicContact CD2-CE1 4.01Å; F85-F290 HydrophobicContact CE1-CD1 4.45Å; F85-F290 AromaticContact CE2-CD1 3.63Å; F85-F290 HydrophobicContact CE2-CD1 3.63Å; F85-F290 AromaticContact CE2-CE1 3.48Å; F85-F290 HydrophobicContact CE2-CE1 3.48Å; F85-F290 VanDerWaalsContact CE2-CE1 3.48Å; F85-F290 HydrophobicContact CE2-CG 4.31Å; F85-F290 HydrophobicContact CE2-CZ 4.06Å; F85-F290 AromaticContact CZ-CD1 3.61Å; F85-F290 HydrophobicContact CZ-CD1 3.61Å; F85-F290 AromaticContact CZ-CE1 3.96Å; F85-F290 HydrophobicContact CZ-CE1 3.96Å; F85-F290 HydrophobicContact CZ-CG 4.21Å; F85-Y294 HydrophobicContact CE2-CD2 4.16Å; F85-Y294 AromaticContact CE2-CE2 3.92Å; F85-Y294 HydrophobicContact CE2-CE2 3.92Å; F85-Y294 HydrophobicContact CZ-CD2 4.4Å
86L89.4Confident88.6Confident84 Ų8451.8 Ų51.844%0.4426%0.259SS..Iπ-helixtrans-87.6-53-177.7-172.771.4000111.9A82 R90 L91A82-L86 HydrophobicContact CB-CB 4.47Å; A82-L86 WeakPolarHBondContact O-CA 3.37Å; A82-L86 VanDerWaalsContact O-CB 3.24Å; A82-L86 WeakPolarHBondContact O-CB 3.45Å; A82-L86 PolarHBondContact O-N 3.42Å; L86-R90 WeakPolarHBondContact O-CB 3.17Å; L86-L91 PolarHBondContact O-N 3.39Å
87F90.4Very high88Confident53 Ų5354.8 Ų54.823%0.23227%0.266CS..Iπ-helixtrans-80.7-55.8-174.5-67.7-71.4000112.4A82 L91 F92 S114 L117A82-F87 HydrophobicContact CB-CE2 4.4Å; A82-F87 WeakPolarHBondContact O-CD2 3.42Å; A82-F87 PolarHBondContact O-N 2.99Å; F87-L91 HydrophobicContact CD1-CD2 4.01Å; F87-L91 WeakPolarHBondContact O-CB 3.28Å; F87-L91 PolarHBondContact O-N 3.42Å; F87-F92 HydrophobicContact CB-CE2 4.26Å; F87-F92 WeakPolarHBondContact O-CD2 3.44Å; F87-F92 PolarHBondContact O-N 2.84Å; F87-S114 WeakPolarHBondContact CE2-OG 3.06Å; F87-L117 HydrophobicContact CZ-CD2 4Å
88H88.2Confident87.4Confident2 Ų252.5 Ų52.51%0.00925%0.254CS..Iπ-helixtrans-66.2-69.2-179.6-178.1-79.2000112.5G83 K84 F92 G93 F101 E103 H105 S107 T110G83-H88 WeakPolarHBondContact O-CB 3.36Å; G83-H88 PolarHBondContact O-N 3.01Å; K84-H88 WeakPolarHBondContact O-CB 3.2Å; H88-F92 PolarHBondContact O-N 3.49Å; H88-G93 PolarHBondContact O-N 2.93Å; H88-F101 AromaticContact CD2-CD1 3.67Å; H88-F101 PolarHBondContact CE1-O 3.17Å; H88-F101 VanDerWaalsContact CE1-O 3.25Å; H88-F101 AromaticContact NE2-CD1 3.97Å; H88-F101 PolarHBondContact NE2-O 2.81Å; H88-E103 PolarHBondContact CE1-O 3.1Å; H88-E103 VanDerWaalsContact CE1-O 3.29Å; H88-H105 PolarHBondContact CD2-O 2.88Å; H88-H105 PolarHBondContact NE2-O 3.1Å; H88-S107 VanDerWaalsContact CD2-CA 3.49Å; H88-S107 WeakPolarHBondContact CD2-CA 3.28Å; H88-T110 HydrophobicContact CB-CG2 4.29Å; H88-T110 WeakPolarHBondContact CB-OG1 3.37Å
89Q85.5Confident86.5Confident57 Ų5751.5 Ų51.527%0.26625%0.247SC..Iπ-helixtrans-65-49.4-172.1-71-177.9-8.300112.9K84 G93 Q94K84-Q89 WeakPolarHBondContact O-CG 3.27Å; K84-Q89 PolarHBondContact O-N 3.49Å; Q89-G93 CarbonylContact O-C 3.58Å; Q89-G93 WeakPolarHBondContact O-CA 3.37Å; Q89-Q94 WeakPolarHBondContact O-CG 3.19Å; Q89-Q94 PolarHBondContact O-N 3.29Å
90R85.7Confident85.5Confident160 Ų16052.5 Ų52.560%0.60425%0.252SS*.Iπ-helixtrans-85.1-52.5-172-171176.2-179.9174.5-0.4113.5F85 L86 Q94 L95F85-R90 WeakPolarHBondContact O-CB 3.14Å; F85-R90 PolarHBondContact O-N 3.33Å; L86-R90 WeakPolarHBondContact O-CB 3.17Å; R90-Q94 WeakPolarHBondContact O-CB 3.26Å; R90-Q94 PolarHBondContact O-N 3.14Å; R90-L95 PolarHBondContact O-N 3.1Å
91L87.2Confident84.8Confident60 Ų6050.7 Ų50.731%0.31424%0.242SC..Iπ-helixtrans-73-57.9-178.3-179.266.2000112L86 F87 L95 L96L86-L91 PolarHBondContact O-N 3.39Å; F87-L91 HydrophobicContact CD1-CD2 4.01Å; F87-L91 WeakPolarHBondContact O-CB 3.28Å; F87-L91 PolarHBondContact O-N 3.42Å; L91-L95 HydrophobicContact CD1-CD2 4.35Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L96 HydrophobicContact CD1-CD1 4.13Å; L91-L96 HydrophobicContact CD1-CG 4.42Å; L91-L96 HydrophobicContact CG-CD1 4.02Å; L91-L96 WeakPolarHBondContact O-CB 3.45Å; L91-L96 WeakPolarHBondContact O-CG 2.98Å; L91-L96 PolarHBondContact O-N 2.96Å
92F86.1Confident84Confident50 Ų5052.4 Ų52.422%0.21925%0.245CC..Iπ-helixtrans-77.7-43-175.6-61.3-53.4000113F87 H88 L96 R97 L98 F101 T110F87-F92 HydrophobicContact CB-CE2 4.26Å; F87-F92 WeakPolarHBondContact O-CD2 3.44Å; F87-F92 PolarHBondContact O-N 2.84Å; H88-F92 PolarHBondContact O-N 3.49Å; F92-L96 HydrophobicContact CD1-CD1 3.74Å; F92-L96 HydrophobicContact CE1-CD1 4.08Å; F92-R97 PolarHBondContact O-N 2.97Å; F92-R97 VanDerWaalsContact O-N 3.07Å; F92-L98 HydrophobicContact CB-CD1 4.36Å; F92-L98 HydrophobicContact CD1-CD1 3.77Å; F92-L98 HydrophobicContact CG-CD1 4.45Å; F92-L98 PolarHBondContact O-N 3.11Å; F92-L98 VanDerWaalsContact O-N 3.13Å; F92-F101 HydrophobicContact CB-CB 4.05Å; F92-F101 HydrophobicContact CB-CD2 3.52Å; F92-F101 HydrophobicContact CB-CE2 4.05Å; F92-F101 HydrophobicContact CB-CG 3.86Å; F92-F101 HydrophobicContact CD1-CD2 4.33Å; F92-F101 HydrophobicContact CD1-CE2 4.07Å; F92-F101 HydrophobicContact CD2-CD2 4.27Å; F92-F101 HydrophobicContact CD2-CE1 4.47Å; F92-F101 HydrophobicContact CD2-CE2 4.01Å; F92-F101 HydrophobicContact CD2-CZ 4.13Å; F92-F101 HydrophobicContact CE2-CZ 4.42Å; F92-F101 AromaticContact CG-CD2 3.8Å; F92-F101 HydrophobicContact CG-CD2 3.8Å; F92-F101 AromaticContact CG-CE2 3.78Å; F92-F101 HydrophobicContact CG-CE2 3.78Å; F92-F101 HydrophobicContact CG-CG 4.37Å; F92-F101 HydrophobicContact CG-CZ 4.36Å; F92-T110 HydrophobicContact CD2-CG2 3.8Å; F92-T110 HydrophobicContact CE2-CG2 3.69Å
93G81.1Confident83.2Confident27 Ų2757.9 Ų57.928%0.27827%0.269SS..Iπ-helixtrans-73.9-57.4-17900000114.5H88 Q89 R97H88-G93 PolarHBondContact O-N 2.93Å; Q89-G93 CarbonylContact O-C 3.58Å; Q89-G93 WeakPolarHBondContact O-CA 3.37Å; G93-R97 WeakPolarHBondContact O-CA 3.16Å
94Q81.8Confident82.4Confident110 Ų11059.3 Ų59.351%0.51428%0.276SS..Iπ-helixtrans-84-48.5-174.4-65.5170.911.500113.7Q89 R90 R97Q89-Q94 WeakPolarHBondContact O-CG 3.19Å; Q89-Q94 PolarHBondContact O-N 3.29Å; R90-Q94 WeakPolarHBondContact O-CB 3.26Å; R90-Q94 PolarHBondContact O-N 3.14Å; Q94-R97 WeakPolarHBondContact O-CG 3.41Å
95L83.7Confident81.9Confident124 Ų12461.4 Ų61.465%0.64929%0.286SS*.Iπ-helixtrans-82.4-52-172.1-171.1155.2000112.2R90 L91R90-L95 PolarHBondContact O-N 3.1Å; L91-L95 HydrophobicContact CD1-CD2 4.35Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å
96L82.3Confident81.4Confident41 Ų4159.2 Ų59.222%0.21528%0.277CS..SBendtrans-87.4-11.7-178.5-62.7169.9000113.5L91 F92 L98 R416L91-L96 HydrophobicContact CD1-CD1 4.13Å; L91-L96 HydrophobicContact CD1-CG 4.42Å; L91-L96 HydrophobicContact CG-CD1 4.02Å; L91-L96 WeakPolarHBondContact O-CB 3.45Å; L91-L96 WeakPolarHBondContact O-CG 2.98Å; L91-L96 PolarHBondContact O-N 2.96Å; F92-L96 HydrophobicContact CD1-CD1 3.74Å; F92-L96 HydrophobicContact CE1-CD1 4.08Å; L96-L98 VanDerWaalsContact C-N 3.25Å; L96-L98 HydrophobicContact CB-CD1 4.03Å; L96-L98 HydrophobicContact CB-CG 3.88Å; L96-L98 HydrophobicContact CD1-CD1 4.38Å; L96-L98 PolarHBondContact O-N 3.4Å; L96-R416 PolarHBondContact O-NE 3.01Å
97R81.2Confident81.1Confident118 Ų11855.2 Ų55.245%0.44526%0.256SS..  trans46.543.3176.3-60.7-170.9177.1-161.3-0.3114.3F92 G93 Q94 R416 F417F92-R97 PolarHBondContact O-N 2.97Å; F92-R97 VanDerWaalsContact O-N 3.07Å; G93-R97 WeakPolarHBondContact O-CA 3.16Å; Q94-R97 WeakPolarHBondContact O-CG 3.41Å; R97-R416 WeakPolarHBondContact O-CA 3.5Å; R97-F417 HydrophobicContact CB-CB 4.45Å; R97-F417 WeakPolarHBondContact O-CD2 3.4Å; R97-F417 PolarHBondContact O-N 3.16Å
98L80.8Confident80.8Confident14 Ų1455.8 Ų55.87%0.07326%0.257CS..BIsolated β-bridgetrans-79.7124-177.1-61.6171.8000110.1F92 L96 M100 F101 I411 G415 R416F92-L98 HydrophobicContact CB-CD1 4.36Å; F92-L98 HydrophobicContact CD1-CD1 3.77Å; F92-L98 HydrophobicContact CG-CD1 4.45Å; F92-L98 PolarHBondContact O-N 3.11Å; F92-L98 VanDerWaalsContact O-N 3.13Å; L96-L98 VanDerWaalsContact C-N 3.25Å; L96-L98 HydrophobicContact CB-CD1 4.03Å; L96-L98 HydrophobicContact CB-CG 3.88Å; L96-L98 HydrophobicContact CD1-CD1 4.38Å; L96-L98 PolarHBondContact O-N 3.4Å; L98-M100 VanDerWaalsContact C-N 3.28Å; L98-M100 HydrophobicContact CB-CE 4.25Å; L98-M100 HydrophobicContact CB-CG 4.33Å; L98-M100 HydrophobicContact CD1-CE 3.87Å; L98-M100 HydrophobicContact CD2-CE 4.46Å; L98-M100 HydrophobicContact CG-CE 4.42Å; L98-M100 PolarHBondContact O-N 3.16Å; L98-F101 HydrophobicContact CB-CD2 4.09Å; L98-F101 HydrophobicContact CD1-CD2 4.09Å; L98-F101 HydrophobicContact CD1-CE2 4.25Å; L98-F101 PolarHBondContact O-N 3.49Å; L98-I411 HydrophobicContact CD2-CG2 4.12Å; L98-G415 WeakPolarHBondContact CA-O 3.17Å; L98-R416 HydrophobicContact CD2-CG 3.99Å
99K75.4Confident80.7Confident18 Ų1856.6 Ų56.68%0.07826%0.261CS..G310 helixtrans-57.6-40.4-176.7-82.7180168.4166.90112.2F101 R102 M264 G415 R416 F417 E421K99-F101 PolarHBondContact O-N 3.2Å; K99-F101 VanDerWaalsContact O-N 3.17Å; K99-R102 WeakPolarHBondContact O-CB 3.37Å; K99-R102 PolarHBondContact O-N 2.88Å; K99-M264 HydrophobicContact CB-CE 3.9Å; K99-M264 HydrophobicContact CB-CG 4.26Å; K99-M264 HydrophobicContact CB-SD 3.81Å; K99-M264 HydrophobicContact CD-SD 4.16Å; K99-M264 HydrophobicContact CG-CE 4.16Å; K99-M264 HydrophobicContact CG-SD 4.08Å; K99-M264 WeakPolarHBondContact O-CE 3.13Å; K99-G415 PolarHBondContact N-O 3.18Å; K99-R416 WeakPolarHBondContact CD-O 3.35Å; K99-R416 WeakPolarHBondContact CE-O 3.49Å; K99-R416 PolarHBondContact NZ-O 2.82Å; K99-F417 HydrophobicContact CB-CE2 4.38Å; K99-F417 HydrophobicContact CD-CD1 4.36Å; K99-F417 HydrophobicContact CD-CE1 4.43Å; K99-F417 HydrophobicContact CG-CD1 3.96Å; K99-F417 HydrophobicContact CG-CD2 3.86Å; K99-F417 HydrophobicContact CG-CE1 3.88Å; K99-F417 HydrophobicContact CG-CE2 3.78Å; K99-F417 HydrophobicContact CG-CG 3.96Å; K99-F417 HydrophobicContact CG-CZ 3.79Å; K99-E421 VanDerWaalsContact CE-OE2 3.31Å; K99-E421 WeakPolarHBondContact CE-OE2 3.34Å; K99-E421 VanDerWaalsContact NZ-CD 3.29Å; K99-E421 IonicContact NZ-OE1 3.07Å; K99-E421 PolarHBondContact NZ-OE1 3.3Å; K99-E421 IonicContact NZ-OE2 2.68Å; K99-E421 PolarHBondContact NZ-OE2 3.1Å
100M74.5Confident80.9Confident21 Ų2154.3 Ų54.310%0.10325%0.25CS..G310 helixtrans-61.9-22.5-17866.7-179.1157.100115.8L98 H262 F263 W302 I411L98-M100 VanDerWaalsContact C-N 3.28Å; L98-M100 HydrophobicContact CB-CE 4.25Å; L98-M100 HydrophobicContact CB-CG 4.33Å; L98-M100 HydrophobicContact CD1-CE 3.87Å; L98-M100 HydrophobicContact CD2-CE 4.46Å; L98-M100 HydrophobicContact CG-CE 4.42Å; L98-M100 PolarHBondContact O-N 3.16Å; M100-H262 WeakPolarHBondContact CA-O 3.48Å; M100-H262 PolarHBondContact N-O 3.25Å; M100-F263 HydrophobicContact CB-CB 4.02Å; M100-F263 HydrophobicContact CB-CD2 3.72Å; M100-F263 HydrophobicContact CB-CG 4.36Å; M100-F263 HydrophobicContact CG-CD2 4.39Å; M100-F263 HydrophobicContact SD-CD2 3.79Å; M100-F263 HydrophobicContact SD-CE2 3.89Å; M100-W302 HydrophobicContact CB-CZ2 3.78Å; M100-W302 HydrophobicContact CG-CH2 4.24Å; M100-W302 HydrophobicContact CG-CZ2 3.84Å; M100-W302 WeakPolarHBondContact O-CZ2 3.29Å; M100-W302 PolarHBondContact O-NE1 2.89Å; M100-W302 VanDerWaalsContact O-NE1 3.1Å; M100-W302 HydrophobicContact SD-CH2 3.99Å; M100-W302 HydrophobicContact SD-CZ2 4.14Å; M100-I411 HydrophobicContact CE-CD1 4.04Å; M100-I411 HydrophobicContact CE-CG2 3.89Å; M100-I411 HydrophobicContact SD-CD1 4.25Å
101F76.8Confident81.2Confident11 Ų1146.8 Ų46.85%0.04822%0.222CC..G310 helixtrans-100.128.4179.1-69.8-68.6000112.8H88 F92 L98 K99 M109 T110 W302H88-F101 AromaticContact CD2-CD1 3.67Å; H88-F101 PolarHBondContact CE1-O 3.17Å; H88-F101 VanDerWaalsContact CE1-O 3.25Å; H88-F101 AromaticContact NE2-CD1 3.97Å; H88-F101 PolarHBondContact NE2-O 2.81Å; F92-F101 HydrophobicContact CB-CB 4.05Å; F92-F101 HydrophobicContact CB-CD2 3.52Å; F92-F101 HydrophobicContact CB-CE2 4.05Å; F92-F101 HydrophobicContact CB-CG 3.86Å; F92-F101 HydrophobicContact CD1-CD2 4.33Å; F92-F101 HydrophobicContact CD1-CE2 4.07Å; F92-F101 HydrophobicContact CD2-CD2 4.27Å; F92-F101 HydrophobicContact CD2-CE1 4.47Å; F92-F101 HydrophobicContact CD2-CE2 4.01Å; F92-F101 HydrophobicContact CD2-CZ 4.13Å; F92-F101 HydrophobicContact CE2-CZ 4.42Å; F92-F101 AromaticContact CG-CD2 3.8Å; F92-F101 HydrophobicContact CG-CD2 3.8Å; F92-F101 AromaticContact CG-CE2 3.78Å; F92-F101 HydrophobicContact CG-CE2 3.78Å; F92-F101 HydrophobicContact CG-CG 4.37Å; F92-F101 HydrophobicContact CG-CZ 4.36Å; L98-F101 HydrophobicContact CB-CD2 4.09Å; L98-F101 HydrophobicContact CD1-CD2 4.09Å; L98-F101 HydrophobicContact CD1-CE2 4.25Å; L98-F101 PolarHBondContact O-N 3.49Å; K99-F101 PolarHBondContact O-N 3.2Å; K99-F101 VanDerWaalsContact O-N 3.17Å; F101-M109 HydrophobicContact CE1-CE 4.43Å; F101-M109 HydrophobicContact CZ-CE 4.13Å; F101-T110 HydrophobicContact CD1-CG2 4.4Å; F101-T110 HydrophobicContact CE1-CG2 3.74Å; F101-T110 HydrophobicContact CZ-CG2 4.23Å; F101-W302 HydrophobicContact CD1-CH2 4.16Å; F101-W302 AromaticContact CD1-CZ2 3.97Å; F101-W302 HydrophobicContact CD1-CZ2 3.97Å; F101-W302 AromaticContact CE1-CH2 3.51Å; F101-W302 HydrophobicContact CE1-CH2 3.51Å; F101-W302 AromaticContact CE1-CZ2 3.79Å; F101-W302 HydrophobicContact CE1-CZ2 3.79Å; F101-W302 HydrophobicContact CE1-CZ3 4.17Å; F101-W302 HydrophobicContact CE2-CH2 4.2Å; F101-W302 HydrophobicContact CG-CZ2 4.46Å; F101-W302 AromaticContact CZ-CH2 3.54Å; F101-W302 HydrophobicContact CZ-CH2 3.54Å; F101-W302 HydrophobicContact CZ-CZ2 4.14Å; F101-W302 HydrophobicContact CZ-CZ3 4.3Å
102R73.3Confident81.3Confident83 Ų8347.6 Ų47.631%0.31322%0.224SC..  trans-64.5145.3175.2178.6172.9171170.8-6.4111.6K99 D104 H105 M264K99-R102 WeakPolarHBondContact O-CB 3.37Å; K99-R102 PolarHBondContact O-N 2.88Å; R102-D104 PolarHBondContact O-N 3.12Å; R102-H105 WeakPolarHBondContact O-CB 3.28Å; R102-H105 PolarHBondContact O-CD2 3.11Å; R102-H105 PolarHBondContact O-N 3.22Å; R102-M264 HydrophobicContact CB-CE 3.98Å; R102-M264 VanDerWaalsContact CD-CE 3.46Å; R102-M264 HydrophobicContact CG-CE 4.33Å
103E75.7Confident81.6Confident128 Ų12848.2 Ų48.260%0.59823%0.226SC*.THydrogen-bonded Turntrans54.7-101.1176-72.3151.9-146.300113.1H88H88-E103 PolarHBondContact CE1-O 3.1Å; H88-E103 VanDerWaalsContact CE1-O 3.29Å
104D74.8Confident82.3Confident29 Ų2947.1 Ų47.116%0.15521%0.214CC..THydrogen-bonded Turntrans-123.37.4175.5-115.2-22.5000112.6K84 R102 S107 H297K84-D104 VanDerWaalsContact CE-OD1 3.29Å; K84-D104 WeakPolarHBondContact CE-OD1 3.48Å; K84-D104 IonicContact NZ-OD1 2.68Å; K84-D104 PolarHBondContact NZ-OD1 3.02Å; K84-D104 IonicContact NZ-OD2 2.72Å; K84-D104 PolarHBondContact NZ-OD2 2.95Å; R102-D104 PolarHBondContact O-N 3.12Å; D104-S107 VanDerWaalsContact O-CB 3.23Å; D104-S107 WeakPolarHBondContact O-CB 3.36Å; D104-S107 PolarHBondContact O-N 3.43Å; D104-S107 PolarHBondContact O-OG 3.22Å; D104-H297 HydrophobicContact CB-CB 3.96Å
105H77.8Confident82.9Confident52 Ų5242.7 Ų42.724%0.24120%0.195CC..THydrogen-bonded Turntrans-65.4132.9-178.9-73.3-115000111H88 R102 S107H88-H105 PolarHBondContact CD2-O 2.88Å; H88-H105 PolarHBondContact NE2-O 3.1Å; R102-H105 WeakPolarHBondContact O-CB 3.28Å; R102-H105 PolarHBondContact O-CD2 3.11Å; R102-H105 PolarHBondContact O-N 3.22Å; H105-S107 PolarHBondContact O-N 2.7Å
106G77.3Confident83.4Confident2 Ų239.2 Ų39.22%0.02118%0.176CC..THydrogen-bonded Turntrans73.5-3-177.200000115.4W108 M109 T110 W302G106-W108 VanDerWaalsContact C-N 3.32Å; G106-W108 PolarHBondContact O-N 3.31Å; G106-M109 WeakPolarHBondContact O-CB 3.43Å; G106-M109 PolarHBondContact O-N 2.94Å; G106-T110 PolarHBondContact O-N 2.99Å; G106-W302 VanDerWaalsContact N-CD1 3.3Å
107S83.9Confident84Confident0 Ų040.9 Ų40.90%019%0.185CC..Hα-helixtrans-58.6-38.6-178.361.60000113.3H88 D104 H105 M109 T110 M111H88-S107 VanDerWaalsContact CD2-CA 3.49Å; H88-S107 WeakPolarHBondContact CD2-CA 3.28Å; D104-S107 VanDerWaalsContact O-CB 3.23Å; D104-S107 WeakPolarHBondContact O-CB 3.36Å; D104-S107 PolarHBondContact O-N 3.43Å; D104-S107 PolarHBondContact O-OG 3.22Å; H105-S107 PolarHBondContact O-N 2.7Å; S107-M109 VanDerWaalsContact C-N 3.29Å; S107-M109 PolarHBondContact O-N 3.04Å; S107-T110 PolarHBondContact O-N 3.49Å; S107-T110 PolarHBondContact O-OG1 3.08Å; S107-M111 WeakPolarHBondContact O-CB 3.34Å; S107-M111 WeakPolarHBondContact O-CE 3.46Å; S107-M111 VanDerWaalsContact O-CG 3.25Å; S107-M111 WeakPolarHBondContact O-CG 3.44Å; S107-M111 PolarHBondContact O-N 3.36Å
108W84.4Confident84.8Confident65 Ų6537.5 Ų37.525%0.24617%0.173CC..Hα-helixtrans-58.6-39.1173.9158.183.8000112.7G106 M111 F112 I296 I298G106-W108 VanDerWaalsContact C-N 3.32Å; G106-W108 PolarHBondContact O-N 3.31Å; W108-M111 WeakPolarHBondContact O-CB 3.43Å; W108-M111 PolarHBondContact O-N 3.34Å; W108-F112 WeakPolarHBondContact O-CB 3.29Å; W108-F112 PolarHBondContact O-N 3.23Å; W108-I296 HydrophobicContact CB-CG2 4.4Å; W108-I298 HydrophobicContact CB-CG1 4.12Å; W108-I298 HydrophobicContact CG-CD1 4.28Å; W108-I298 HydrophobicContact CG-CG1 4.15Å
109M86.1Confident85.5Confident18 Ų1837.7 Ų37.79%0.08917%0.174CC..Hα-helixtrans-70.5-40.5-178.9-167.9-169.975.700111.3F101 G106 S107 M111 F112 F113 W302 F309F101-M109 HydrophobicContact CE1-CE 4.43Å; F101-M109 HydrophobicContact CZ-CE 4.13Å; G106-M109 WeakPolarHBondContact O-CB 3.43Å; G106-M109 PolarHBondContact O-N 2.94Å; S107-M109 VanDerWaalsContact C-N 3.29Å; S107-M109 PolarHBondContact O-N 3.04Å; M109-M111 VanDerWaalsContact C-N 3.34Å; M109-F112 PolarHBondContact O-N 3.28Å; M109-F113 HydrophobicContact CE-CE2 4.43Å; M109-F113 HydrophobicContact CG-CD2 3.88Å; M109-F113 HydrophobicContact CG-CE2 3.58Å; M109-F113 VanDerWaalsContact O-CD2 3.3Å; M109-F113 WeakPolarHBondContact O-CD2 3.34Å; M109-F113 PolarHBondContact O-N 2.97Å; M109-F113 HydrophobicContact SD-CE2 4.05Å; M109-W302 HydrophobicContact CE-CE3 4.43Å; M109-W302 HydrophobicContact CE-CH2 4.24Å; M109-W302 HydrophobicContact CE-CZ3 3.58Å; M109-W302 HydrophobicContact SD-CE3 4.12Å; M109-W302 HydrophobicContact SD-CZ3 3.73Å; M109-F309 HydrophobicContact CE-CD2 4.31Å; M109-F309 HydrophobicContact SD-CB 4.44Å; M109-F309 HydrophobicContact SD-CD2 3.62Å; M109-F309 HydrophobicContact SD-CE2 4.27Å; M109-F309 HydrophobicContact SD-CG 4.33Å
110T89.6Confident86.5Confident9 Ų939.2 Ų39.26%0.05518%0.181CC..Hα-helixtrans-68.8-34.8175.166.90000111.6G83 H88 F92 F101 G106 S107 S114G83-T110 PolarHBondContact O-OG1 2.95Å; H88-T110 HydrophobicContact CB-CG2 4.29Å; H88-T110 WeakPolarHBondContact CB-OG1 3.37Å; F92-T110 HydrophobicContact CD2-CG2 3.8Å; F92-T110 HydrophobicContact CE2-CG2 3.69Å; F101-T110 HydrophobicContact CD1-CG2 4.4Å; F101-T110 HydrophobicContact CE1-CG2 3.74Å; F101-T110 HydrophobicContact CZ-CG2 4.23Å; G106-T110 PolarHBondContact O-N 2.99Å; S107-T110 PolarHBondContact O-N 3.49Å; S107-T110 PolarHBondContact O-OG1 3.08Å; T110-S114 WeakPolarHBondContact O-CB 3.42Å; T110-S114 PolarHBondContact O-N 3.45Å
111M90.9Very high87.5Confident3 Ų341.7 Ų41.72%0.01519%0.194CC..Hα-helixtrans-61.9-41.3170.5-76.6-169.7-78.200112.6L80 K84 S107 W108 M109 T115 Y294 I296L80-M111 HydrophobicContact CD2-CB 3.85Å; L80-M111 HydrophobicContact CD2-CG 4.43Å; L80-M111 HydrophobicContact CD2-SD 4.39Å; L80-M111 WeakPolarHBondContact O-CG 3.08Å; K84-M111 HydrophobicContact CB-CG 4.26Å; K84-M111 HydrophobicContact CB-SD 4.14Å; S107-M111 WeakPolarHBondContact O-CB 3.34Å; S107-M111 WeakPolarHBondContact O-CE 3.46Å; S107-M111 VanDerWaalsContact O-CG 3.25Å; S107-M111 WeakPolarHBondContact O-CG 3.44Å; S107-M111 PolarHBondContact O-N 3.36Å; W108-M111 WeakPolarHBondContact O-CB 3.43Å; W108-M111 PolarHBondContact O-N 3.34Å; M109-M111 VanDerWaalsContact C-N 3.34Å; M111-T115 WeakPolarHBondContact O-CB 3.36Å; M111-T115 PolarHBondContact O-N 3.12Å; M111-T115 PolarHBondContact O-OG1 2.9Å; M111-Y294 HydrophobicContact SD-CE1 4.33Å; M111-Y294 PolarHBondContact SD-OH 3.37Å; M111-I296 HydrophobicContact CE-CB 4.43Å; M111-I296 HydrophobicContact CE-CD1 4.48Å; M111-I296 HydrophobicContact CE-CG1 4.04Å; M111-I296 HydrophobicContact CE-CG2 4.02Å
112F90.9Very high88.5Confident77 Ų7742.5 Ų42.534%0.33820%0.198SC..Hα-helixtrans-64.6-55.1176.3177.9-105.8000112.4W108 M109 S114 T115 I116 L310W108-F112 WeakPolarHBondContact O-CB 3.29Å; W108-F112 PolarHBondContact O-N 3.23Å; M109-F112 PolarHBondContact O-N 3.28Å; F112-S114 PolarHBondContact O-N 2.92Å; F112-T115 WeakPolarHBondContact O-CA 3.39Å; F112-T115 WeakPolarHBondContact O-CB 3.3Å; F112-T115 PolarHBondContact O-N 3.34Å; F112-I116 HydrophobicContact CD1-CD1 4.24Å; F112-I116 HydrophobicContact CE1-CD1 3.7Å; F112-I116 HydrophobicContact CE2-CD1 4.44Å; F112-I116 HydrophobicContact CZ-CD1 3.82Å; F112-I116 PolarHBondContact O-N 2.94Å; F112-I116 VanDerWaalsContact O-N 3.12Å; F112-L310 HydrophobicContact CE1-CD1 4.04Å; F112-L310 HydrophobicContact CZ-CD1 4.03Å
113F91.8Very high89.5Confident63 Ų6338.5 Ų38.528%0.27618%0.183SC..Hα-helixtrans-66-36.4-179.7-70.5-58.5000113.1M109 T115 I116 L117 F309 I313M109-F113 HydrophobicContact CE-CE2 4.43Å; M109-F113 HydrophobicContact CG-CD2 3.88Å; M109-F113 HydrophobicContact CG-CE2 3.58Å; M109-F113 VanDerWaalsContact O-CD2 3.3Å; M109-F113 WeakPolarHBondContact O-CD2 3.34Å; M109-F113 PolarHBondContact O-N 2.97Å; M109-F113 HydrophobicContact SD-CE2 4.05Å; F113-T115 VanDerWaalsContact C-N 3.3Å; F113-T115 PolarHBondContact O-N 3.23Å; F113-I116 HydrophobicContact CD1-CD1 4.31Å; F113-I116 PolarHBondContact O-N 3.32Å; F113-L117 PolarHBondContact O-N 2.91Å; F113-F309 HydrophobicContact CZ-CB 4.48Å; F113-I313 HydrophobicContact CD1-CD1 4.47Å; F113-I313 HydrophobicContact CE1-CD1 3.47Å; F113-I313 VanDerWaalsContact CE1-CD1 3.47Å; F113-I313 HydrophobicContact CZ-CD1 3.65Å
114S94.6Very high90.4Very high3 Ų336.3 Ų36.32%0.02117%0.172CC..Hα-helixtrans-62.5-36.9171.4-1790000111.7G79 G83 F87 T110 F112 L117 F118G79-S114 WeakPolarHBondContact O-CB 3.14Å; G79-S114 PolarHBondContact O-OG 3.41Å; G83-S114 PolarHBondContact N-OG 3.41Å; F87-S114 WeakPolarHBondContact CE2-OG 3.06Å; T110-S114 WeakPolarHBondContact O-CB 3.42Å; T110-S114 PolarHBondContact O-N 3.45Å; F112-S114 PolarHBondContact O-N 2.92Å; S114-L117 PolarHBondContact O-N 3.31Å; S114-F118 WeakPolarHBondContact O-CD2 3.44Å; S114-F118 PolarHBondContact O-N 2.91Å
115T95.4Very high91.4Very high18 Ų1838.5 Ų38.511%0.1118%0.183CC..Hα-helixtrans-63.1-40.9174.4-62.80000112.5I76 M111 F112 F113 F118 L119I76-T115 HydrophobicContact CB-CG2 4.28Å; I76-T115 HydrophobicContact CG1-CG2 3.92Å; I76-T115 HydrophobicContact CG2-CG2 4.27Å; M111-T115 WeakPolarHBondContact O-CB 3.36Å; M111-T115 PolarHBondContact O-N 3.12Å; M111-T115 PolarHBondContact O-OG1 2.9Å; F112-T115 WeakPolarHBondContact O-CA 3.39Å; F112-T115 WeakPolarHBondContact O-CB 3.3Å; F112-T115 PolarHBondContact O-N 3.34Å; F113-T115 VanDerWaalsContact C-N 3.3Å; F113-T115 PolarHBondContact O-N 3.23Å; T115-F118 PolarHBondContact O-N 2.77Å; T115-L119 HydrophobicContact CG2-CD1 3.92Å; T115-L119 HydrophobicContact CG2-CG 4.49Å; T115-L119 WeakPolarHBondContact O-CB 3.25Å; T115-L119 WeakPolarHBondContact O-CG 3.35Å; T115-L119 PolarHBondContact O-N 3.21Å
116I94.6Very high92.2Very high50 Ų5036 Ų3626%0.25617%0.172SC..Hα-helixtrans-62.8-45.1174.4-62.5171.5000110.7V46 C50 F112 F113 F118 L119 F120V46-I116 HydrophobicContact CG1-CG2 4.11Å; C50-I116 PolarHBondContact SG-O 3.43Å; F112-I116 HydrophobicContact CD1-CD1 4.24Å; F112-I116 HydrophobicContact CE1-CD1 3.7Å; F112-I116 HydrophobicContact CE2-CD1 4.44Å; F112-I116 HydrophobicContact CZ-CD1 3.82Å; F112-I116 PolarHBondContact O-N 2.94Å; F112-I116 VanDerWaalsContact O-N 3.12Å; F113-I116 HydrophobicContact CD1-CD1 4.31Å; F113-I116 PolarHBondContact O-N 3.32Å; I116-F118 PolarHBondContact O-N 2.82Å; I116-L119 PolarHBondContact O-N 2.9Å; I116-F120 PolarHBondContact O-N 3.2Å
117L95.2Very high93Very high77 Ų7736.6 Ų36.640%0.40317%0.174SC..Hα-helixtrans-61.5-43.8177.7177.862.5000112.4F87 F113 S114 F120 I121F87-L117 HydrophobicContact CZ-CD2 4Å; F113-L117 PolarHBondContact O-N 2.91Å; S114-L117 PolarHBondContact O-N 3.31Å; L117-F120 WeakPolarHBondContact O-CB 3.23Å; L117-F120 PolarHBondContact O-N 3.41Å; L117-I121 HydrophobicContact CD1-CD1 4.15Å; L117-I121 HydrophobicContact CG-CD1 4.04Å; L117-I121 WeakPolarHBondContact O-CG1 3.37Å; L117-I121 PolarHBondContact O-N 2.87Å
118F96.6Very high93.4Very high46 Ų4640.2 Ų40.220%0.20220%0.196CC..Hα-helixtrans-71.1-36.3178.4-87.5-102.1000112.4A75 T78 A82 S114 T115 I116 F120 I121 F122A75-F118 WeakPolarHBondContact O-CB 3.3Å; T78-F118 VanDerWaalsContact OG1-CD1 3.25Å; T78-F118 WeakPolarHBondContact OG1-CD1 3.02Å; A82-F118 HydrophobicContact CB-CD2 4.4Å; A82-F118 HydrophobicContact CB-CE2 3.54Å; A82-F118 HydrophobicContact CB-CZ 3.74Å; S114-F118 WeakPolarHBondContact O-CD2 3.44Å; S114-F118 PolarHBondContact O-N 2.91Å; T115-F118 PolarHBondContact O-N 2.77Å; I116-F118 PolarHBondContact O-N 2.82Å; F118-F120 VanDerWaalsContact C-N 3.31Å; F118-F120 PolarHBondContact O-N 3.3Å; F118-I121 PolarHBondContact O-N 2.85Å; F118-F122 HydrophobicContact CD1-CE2 4.16Å; F118-F122 WeakPolarHBondContact O-CB 3.44Å; F118-F122 WeakPolarHBondContact O-CD2 3.49Å; F118-F122 PolarHBondContact O-N 3.29Å
119L96.8Very high93.7Very high18 Ų1839.7 Ų39.79%0.09420%0.198CC..Hα-helixtrans-59.6-41.9171.1-78.8164.2000111.8C50 F53 V54 W72 A75 I76 T115 I116 F122 S123C50-L119 HydrophobicContact CB-CB 4.26Å; F53-L119 HydrophobicContact CD1-CD2 4.12Å; F53-L119 HydrophobicContact CE1-CD2 4.31Å; V54-L119 HydrophobicContact CG2-CD2 3.96Å; W72-L119 HydrophobicContact CB-CD2 3.93Å; A75-L119 HydrophobicContact CB-CD2 3.87Å; A75-L119 HydrophobicContact CB-CG 4.23Å; I76-L119 HydrophobicContact CG1-CD1 4.26Å; I76-L119 HydrophobicContact CG1-CD2 4.18Å; I76-L119 HydrophobicContact CG1-CG 4.37Å; T115-L119 HydrophobicContact CG2-CD1 3.92Å; T115-L119 HydrophobicContact CG2-CG 4.49Å; T115-L119 WeakPolarHBondContact O-CB 3.25Å; T115-L119 WeakPolarHBondContact O-CG 3.35Å; T115-L119 PolarHBondContact O-N 3.21Å; I116-L119 PolarHBondContact O-N 2.9Å; L119-F122 PolarHBondContact O-N 3.18Å; L119-S123 WeakPolarHBondContact O-CB 3.46Å; L119-S123 PolarHBondContact O-N 3.11Å
120F95.8Very high93.9Very high51 Ų5138.9 Ų38.922%0.22419%0.194CC..Hα-helixtrans-61.5-51.7175.2-178.5-105.2000111.4V46 N49 C50 I116 L117 F118 F122 S123 H124V46-F120 HydrophobicContact CB-CD2 3.99Å; V46-F120 HydrophobicContact CB-CE2 4.17Å; V46-F120 HydrophobicContact CG1-CB 4.03Å; V46-F120 HydrophobicContact CG1-CD2 3.77Å; V46-F120 HydrophobicContact CG1-CE2 4.43Å; V46-F120 HydrophobicContact CG1-CG 3.99Å; V46-F120 HydrophobicContact CG2-CD2 3.94Å; V46-F120 HydrophobicContact CG2-CE2 3.77Å; V46-F120 HydrophobicContact CG2-CG 4.4Å; V46-F120 HydrophobicContact CG2-CZ 4.11Å; N49-F120 HydrophobicContact CB-CD2 3.85Å; N49-F120 HydrophobicContact CB-CE2 4.14Å; N49-F120 WeakPolarHBondContact ND2-CE2 3.49Å; C50-F120 PolarHBondContact SG-N 2.96Å; C50-F120 VanDerWaalsContact SG-N 3.44Å; I116-F120 PolarHBondContact O-N 3.2Å; L117-F120 WeakPolarHBondContact O-CB 3.23Å; L117-F120 PolarHBondContact O-N 3.41Å; F118-F120 VanDerWaalsContact C-N 3.31Å; F118-F120 PolarHBondContact O-N 3.3Å; F120-F122 PolarHBondContact O-N 3.49Å; F120-S123 WeakPolarHBondContact O-CB 3.37Å; F120-S123 PolarHBondContact O-N 3.01Å; F120-S123 VanDerWaalsContact O-N 3.15Å; F120-S123 PolarHBondContact O-OG 2.94Å; F120-H124 AromaticContact CE1-CD2 3.88Å; F120-H124 AromaticContact CE1-NE2 3.71Å; F120-H124 AromaticContact CE2-NE2 3.44Å; F120-H124 WeakPolarHBondContact CE2-NE2 3.24Å; F120-H124 AromaticContact CZ-CD2 3.86Å; F120-H124 AromaticContact CZ-NE2 3.22Å; F120-H124 WeakPolarHBondContact CZ-NE2 3.42Å; F120-H124 PolarHBondContact O-CD2 3.06Å; F120-H124 VanDerWaalsContact O-CD2 3.3Å; F120-H124 PolarHBondContact O-N 2.79Å
121I95.9Very high93.9Very high73 Ų7343.8 Ų43.837%0.37422%0.219SC..Hα-helixtrans-57.5-46.6177.7-67.8164.2000111.3L117 F118 S123 H124 I125L117-I121 HydrophobicContact CD1-CD1 4.15Å; L117-I121 HydrophobicContact CG-CD1 4.04Å; L117-I121 WeakPolarHBondContact O-CG1 3.37Å; L117-I121 PolarHBondContact O-N 2.87Å; F118-I121 PolarHBondContact O-N 2.85Å; I121-S123 VanDerWaalsContact C-N 3.32Å; I121-S123 PolarHBondContact O-N 3.02Å; I121-H124 PolarHBondContact O-N 2.96Å; I121-I125 HydrophobicContact CG2-CD1 4.04Å; I121-I125 WeakPolarHBondContact O-CG1 3.28Å; I121-I125 PolarHBondContact O-N 3.38Å
122F96.7Very high93.8Very high27 Ų2751.1 Ų51.112%0.11826%0.255CS..Hα-helixtrans-68.3-28.1179.1-88.7-107.4000113.4F53 L71 L74 A75 F118 L119 F120 H124 I125 Y126F53-F122 HydrophobicContact CE1-CB 3.71Å; F53-F122 HydrophobicContact CZ-CB 4Å; L71-F122 HydrophobicContact CB-CD1 4.35Å; L71-F122 HydrophobicContact CD2-CD1 4.09Å; L71-F122 HydrophobicContact CD2-CE1 4.2Å; L71-F122 WeakPolarHBondContact O-CD1 3.2Å; L74-F122 HydrophobicContact CB-CE1 4.21Å; L74-F122 HydrophobicContact CD2-CE1 3.93Å; L74-F122 HydrophobicContact CD2-CZ 4.27Å; L74-F122 HydrophobicContact CG-CE1 3.92Å; L74-F122 HydrophobicContact CG-CZ 4.04Å; A75-F122 HydrophobicContact CB-CB 3.6Å; A75-F122 HydrophobicContact CB-CD1 4.11Å; A75-F122 HydrophobicContact CB-CD2 3.81Å; A75-F122 HydrophobicContact CB-CG 3.57Å; F118-F122 HydrophobicContact CD1-CE2 4.16Å; F118-F122 WeakPolarHBondContact O-CB 3.44Å; F118-F122 WeakPolarHBondContact O-CD2 3.49Å; F118-F122 PolarHBondContact O-N 3.29Å; L119-F122 PolarHBondContact O-N 3.18Å; F120-F122 PolarHBondContact O-N 3.49Å; F122-H124 VanDerWaalsContact C-N 3.32Å; F122-H124 PolarHBondContact O-N 2.96Å; F122-I125 HydrophobicContact CD2-CD1 4.4Å; F122-I125 HydrophobicContact CG-CD1 4.47Å; F122-I125 PolarHBondContact O-N 3.02Å; F122-Y126 WeakPolarHBondContact O-CB 3.47Å; F122-Y126 PolarHBondContact O-N 3.26Å
123S95.7Very high93.4Very high0 Ų051.1 Ų51.10%026%0.259CS..Hα-helixtrans-64.2-37.4172.178.60000112.1L119 F120 I121 Y126 N127L119-S123 WeakPolarHBondContact O-CB 3.46Å; L119-S123 PolarHBondContact O-N 3.11Å; F120-S123 WeakPolarHBondContact O-CB 3.37Å; F120-S123 PolarHBondContact O-N 3.01Å; F120-S123 VanDerWaalsContact O-N 3.15Å; F120-S123 PolarHBondContact O-OG 2.94Å; I121-S123 VanDerWaalsContact C-N 3.32Å; I121-S123 PolarHBondContact O-N 3.02Å; S123-Y126 PolarHBondContact O-N 2.97Å; S123-N127 PolarHBondContact O-N 3.38Å
124H94.6Very high92.5Very high82 Ų8251.3 Ų51.338%0.3828%0.278SS..Hα-helixtrans-71.4-38.2173.2-72.9-74.4000112.5N49 F120 I121 F122 Y126 N127 T128N49-H124 PolarHBondContact ND2-NE2 3.3Å; F120-H124 AromaticContact CE1-CD2 3.88Å; F120-H124 AromaticContact CE1-NE2 3.71Å; F120-H124 AromaticContact CE2-NE2 3.44Å; F120-H124 WeakPolarHBondContact CE2-NE2 3.24Å; F120-H124 AromaticContact CZ-CD2 3.86Å; F120-H124 AromaticContact CZ-NE2 3.22Å; F120-H124 WeakPolarHBondContact CZ-NE2 3.42Å; F120-H124 PolarHBondContact O-CD2 3.06Å; F120-H124 VanDerWaalsContact O-CD2 3.3Å; F120-H124 PolarHBondContact O-N 2.79Å; I121-H124 PolarHBondContact O-N 2.96Å; F122-H124 VanDerWaalsContact C-N 3.32Å; F122-H124 PolarHBondContact O-N 2.96Å; H124-Y126 VanDerWaalsContact C-N 3.34Å; H124-Y126 PolarHBondContact O-N 3.38Å; H124-N127 PolarHBondContact O-N 3.25Å; H124-T128 PolarHBondContact O-N 2.7Å; H124-T128 PolarHBondContact O-OG1 3.11Å; H124-T128 VanDerWaalsContact O-OG1 3.1Å
125I94.8Very high91.8Very high74 Ų7458 Ų5838%0.37931%0.314SS..Hα-helixtrans-60.5-44.9172.1-65.1169.1000110.4I121 F122 T128 I129I121-I125 HydrophobicContact CG2-CD1 4.04Å; I121-I125 WeakPolarHBondContact O-CG1 3.28Å; I121-I125 PolarHBondContact O-N 3.38Å; F122-I125 HydrophobicContact CD2-CD1 4.4Å; F122-I125 HydrophobicContact CG-CD1 4.47Å; F122-I125 PolarHBondContact O-N 3.02Å; I125-T128 WeakPolarHBondContact O-CB 3.2Å; I125-T128 PolarHBondContact O-N 3.24Å; I125-I129 HydrophobicContact CG2-CD1 4.17Å; I125-I129 WeakPolarHBondContact O-CG1 3.29Å; I125-I129 PolarHBondContact O-N 3.31Å; I125-I129 VanDerWaalsContact O-N 3.1Å
126Y94.1Very high91.2Very high0 Ų058.5 Ų58.50%032%0.315CS..Hα-helixtrans-62.4-42.9176.8179.7-116.1000112.2F53 P59 K68 L71 F122 S123 H124 T128 I129 L130 I141F53-Y126 AromaticContact CD2-CD1 3.99Å; F53-Y126 HydrophobicContact CD2-CD1 3.99Å; F53-Y126 HydrophobicContact CD2-CG 4.34Å; F53-Y126 AromaticContact CE2-CD1 3.87Å; F53-Y126 HydrophobicContact CE2-CD1 3.87Å; F53-Y126 AromaticContact CE2-CG 3.76Å; F53-Y126 HydrophobicContact CE2-CG 3.76Å; P59-Y126 WeakPolarHBondContact CD-OH 3.48Å; P59-Y126 WeakPolarHBondContact CG-OH 3.49Å; K68-Y126 HydrophobicContact CB-CE1 4.48Å; K68-Y126 HydrophobicContact CB-CE2 3.96Å; K68-Y126 HydrophobicContact CD-CE1 3.76Å; K68-Y126 HydrophobicContact CG-CE1 4.03Å; K68-Y126 HydrophobicContact CG-CE2 4.32Å; L71-Y126 HydrophobicContact CD1-CD2 3.68Å; L71-Y126 HydrophobicContact CD1-CG 4.36Å; F122-Y126 WeakPolarHBondContact O-CB 3.47Å; F122-Y126 PolarHBondContact O-N 3.26Å; S123-Y126 PolarHBondContact O-N 2.97Å; H124-Y126 VanDerWaalsContact C-N 3.34Å; H124-Y126 PolarHBondContact O-N 3.38Å; Y126-T128 VanDerWaalsContact C-N 3.33Å; Y126-T128 PolarHBondContact O-N 3.4Å; Y126-I129 PolarHBondContact O-N 2.69Å; Y126-I129 VanDerWaalsContact O-N 3.16Å; Y126-L130 HydrophobicContact CD1-CD1 4.07Å; Y126-L130 HydrophobicContact CD1-CG 4.45Å; Y126-L130 HydrophobicContact CE1-CD1 3.56Å; Y126-L130 HydrophobicContact CE1-CD2 4.49Å; Y126-L130 HydrophobicContact CE1-CG 4.09Å; Y126-L130 HydrophobicContact CE2-CD2 4.17Å; Y126-L130 HydrophobicContact CE2-CG 4.24Å; Y126-L130 WeakPolarHBondContact O-CG 3.39Å; Y126-L130 PolarHBondContact O-N 3.4Å; Y126-I141 HydrophobicContact CD1-CD1 4.37Å; Y126-I141 HydrophobicContact CD1-CG1 3.9Å; Y126-I141 HydrophobicContact CE1-CD1 4.29Å; Y126-I141 HydrophobicContact CE1-CG1 4.29Å
127N94Very high90.5Very high15 Ų1558.5 Ų58.58%0.0833%0.328CS..Hα-helixtrans-58.1-42.7172.9-78.8-8.8000112.4S123 H124 I129 L130 L131 I141S123-N127 PolarHBondContact O-N 3.38Å; H124-N127 PolarHBondContact O-N 3.25Å; N127-I129 VanDerWaalsContact C-N 3.32Å; N127-I129 PolarHBondContact O-N 3.22Å; N127-L130 PolarHBondContact O-N 3.17Å; N127-L131 WeakPolarHBondContact O-CB 3.25Å; N127-L131 VanDerWaalsContact O-CG 3.32Å; N127-L131 WeakPolarHBondContact O-CG 3.36Å; N127-L131 PolarHBondContact O-N 3.45Å; N127-I141 PolarHBondContact ND2-O 2.99Å; N127-I141 WeakPolarHBondContact OD1-CB 3.49Å; N127-I141 WeakPolarHBondContact OD1-CG1 3.39Å; N127-I141 PolarHBondContact OD1-N 2.96Å
128T92.2Very high90Very high75 Ų7559 Ų5946%0.4634%0.343SS..Hα-helixtrans-60.5-40.8175.5-59.40000111.8H124 I125 Y126 L131 M132H124-T128 PolarHBondContact O-N 2.7Å; H124-T128 PolarHBondContact O-OG1 3.11Å; H124-T128 VanDerWaalsContact O-OG1 3.1Å; I125-T128 WeakPolarHBondContact O-CB 3.2Å; I125-T128 PolarHBondContact O-N 3.24Å; Y126-T128 VanDerWaalsContact C-N 3.33Å; Y126-T128 PolarHBondContact O-N 3.4Å; T128-L131 PolarHBondContact O-N 2.9Å; T128-M132 HydrophobicContact CG2-CE 4.04Å; T128-M132 WeakPolarHBondContact O-CG 3.17Å; T128-M132 PolarHBondContact O-N 3Å
129I91.6Very high89.6Confident55 Ų5559.3 Ų59.328%0.28234%0.343SS..Hα-helixtrans-66.9-40.4176.2-59.5163.1000111.1W64 L67 L71 I125 Y126 N127 L131 M132W64-I129 HydrophobicContact CH2-CG2 4.13Å; W64-I129 HydrophobicContact CZ3-CG2 3.92Å; L67-I129 HydrophobicContact CD2-CG2 4.25Å; L71-I129 HydrophobicContact CD1-CD1 4.13Å; I125-I129 HydrophobicContact CG2-CD1 4.17Å; I125-I129 WeakPolarHBondContact O-CG1 3.29Å; I125-I129 PolarHBondContact O-N 3.31Å; I125-I129 VanDerWaalsContact O-N 3.1Å; Y126-I129 PolarHBondContact O-N 2.69Å; Y126-I129 VanDerWaalsContact O-N 3.16Å; N127-I129 VanDerWaalsContact C-N 3.32Å; N127-I129 PolarHBondContact O-N 3.22Å; I129-L131 VanDerWaalsContact C-N 3.33Å; I129-L131 PolarHBondContact O-N 2.81Å; I129-M132 PolarHBondContact O-N 2.87Å
130L90.2Very high89.2Confident1 Ų160.6 Ų60.61%0.00535%0.349CS..Hα-helixtrans-64.5-35.3174.7-69.2-177.3000112.7W64 Y126 N127 M132 D133 M136W64-L130 HydrophobicContact CD2-CD2 4.4Å; W64-L130 HydrophobicContact CE3-CD2 3.73Å; W64-L130 HydrophobicContact CH2-CD2 4.21Å; W64-L130 HydrophobicContact CZ3-CD2 3.63Å; Y126-L130 HydrophobicContact CD1-CD1 4.07Å; Y126-L130 HydrophobicContact CD1-CG 4.45Å; Y126-L130 HydrophobicContact CE1-CD1 3.56Å; Y126-L130 HydrophobicContact CE1-CD2 4.49Å; Y126-L130 HydrophobicContact CE1-CG 4.09Å; Y126-L130 HydrophobicContact CE2-CD2 4.17Å; Y126-L130 HydrophobicContact CE2-CG 4.24Å; Y126-L130 WeakPolarHBondContact O-CG 3.39Å; Y126-L130 PolarHBondContact O-N 3.4Å; N127-L130 PolarHBondContact O-N 3.17Å; L130-M132 VanDerWaalsContact C-N 3.34Å; L130-D133 PolarHBondContact O-N 2.87Å; L130-M136 HydrophobicContact CB-CB 4Å; L130-M136 HydrophobicContact CD2-CB 3.88Å; L130-M136 HydrophobicContact CD2-CG 4.05Å; L130-M136 HydrophobicContact CG-CB 4.39Å
131L89.5Confident89Confident112 Ų11258.3 Ų58.359%0.58634%0.34SS*.Hα-helixtrans-69.8-30.2177.4-74.4167.7000112.4N127 T128 I129 D133 G134 I140N127-L131 WeakPolarHBondContact O-CB 3.25Å; N127-L131 VanDerWaalsContact O-CG 3.32Å; N127-L131 WeakPolarHBondContact O-CG 3.36Å; N127-L131 PolarHBondContact O-N 3.45Å; T128-L131 PolarHBondContact O-N 2.9Å; I129-L131 VanDerWaalsContact C-N 3.33Å; I129-L131 PolarHBondContact O-N 2.81Å; L131-D133 VanDerWaalsContact C-N 3.27Å; L131-D133 PolarHBondContact O-N 2.73Å; L131-G134 PolarHBondContact O-N 2.68Å; L131-I140 HydrophobicContact CD2-CD1 3.8Å; L131-I140 HydrophobicContact CG-CD1 4.36Å
132M88.4Confident88.8Confident157 Ų15756.9 Ų56.977%0.77333%0.334SS*.Hα-helixtrans-67.3-24.7173.9-71172.2173.400113.5T128 I129 L130T128-M132 HydrophobicContact CG2-CE 4.04Å; T128-M132 WeakPolarHBondContact O-CG 3.17Å; T128-M132 PolarHBondContact O-N 3Å; I129-M132 PolarHBondContact O-N 2.87Å; L130-M132 VanDerWaalsContact C-N 3.34Å
133D83.4Confident88.3Confident77 Ų7757.6 Ų57.641%0.41234%0.339SS..THydrogen-bonded Turntrans-83.2-14.5174.8-167.667.7000112.7W64 L130 L131 N135 M136W64-D133 HydrophobicContact CH2-CB 4.1Å; W64-D133 HydrophobicContact CZ2-CB 3.87Å; L130-D133 PolarHBondContact O-N 2.87Å; L131-D133 VanDerWaalsContact C-N 3.27Å; L131-D133 PolarHBondContact O-N 2.73Å; D133-N135 PolarHBondContact O-N 2.83Å; D133-M136 HydrophobicContact CB-CG 4.22Å; D133-M136 WeakPolarHBondContact OD2-CE 3.37Å; D133-M136 VanDerWaalsContact OD2-CG 3.25Å; D133-M136 WeakPolarHBondContact OD2-CG 3.44Å
134G73.4Confident87.9Confident66 Ų6663.1 Ų63.168%0.6836%0.361SS*.SBendtrans70.6-35.6175.300000116.3L131L131-G134 PolarHBondContact O-N 2.68Å
135N79.9Confident87.5Confident143 Ų14359.6 Ų59.677%0.76535%0.345SS*.SBendtrans-97.811.8-170.7-157.610.1000114.2D133D133-N135 PolarHBondContact O-N 2.83Å
136M81.6Confident87Confident30 Ų3058.1 Ų58.115%0.14835%0.347CS..  trans-10715.1-170.1-66.6-66.9164.500114.9L130 D133 A138 Y139L130-M136 HydrophobicContact CB-CB 4Å; L130-M136 HydrophobicContact CD2-CB 3.88Å; L130-M136 HydrophobicContact CD2-CG 4.05Å; L130-M136 HydrophobicContact CG-CB 4.39Å; D133-M136 HydrophobicContact CB-CG 4.22Å; D133-M136 WeakPolarHBondContact OD2-CE 3.37Å; D133-M136 VanDerWaalsContact OD2-CG 3.25Å; D133-M136 WeakPolarHBondContact OD2-CG 3.44Å; M136-A138 VanDerWaalsContact C-N 3.26Å; M136-A138 PolarHBondContact O-N 3.24Å; M136-A138 VanDerWaalsContact O-N 3.07Å; M136-Y139 HydrophobicContact CB-CD2 4.39Å; M136-Y139 PolarHBondContact O-N 3.29Å; M136-Y139 HydrophobicContact SD-CD2 3.72Å; M136-Y139 HydrophobicContact SD-CE2 3.93Å
137G80.4Confident86.8Confident50 Ų5060.4 Ų60.452%0.51536%0.359SS..G310 helixtrans-50.5-38-173.400000115.4Y139 I140G137-Y139 PolarHBondContact O-N 2.77Å; G137-I140 WeakPolarHBondContact O-CG1 3.46Å; G137-I140 PolarHBondContact O-N 2.7Å
138A83.9Confident86.6Confident87 Ų8765.6 Ų65.672%0.71938%0.378SS*.G310 helixtrans-66.6-15.9178.800000114.7M136M136-A138 VanDerWaalsContact C-N 3.26Å; M136-A138 PolarHBondContact O-N 3.24Å; M136-A138 VanDerWaalsContact O-N 3.07Å
139Y88Confident86.4Confident53 Ų5362.4 Ų62.421%0.20836%0.358CS..G310 helixtrans-104.70.4-178.6-51.9-72.1000113.5P59 M136 G137 I141P59-Y139 HydrophobicContact CB-CD1 4.26Å; P59-Y139 HydrophobicContact CB-CD2 4.14Å; P59-Y139 HydrophobicContact CB-CE1 4.37Å; P59-Y139 HydrophobicContact CB-CE2 4.26Å; P59-Y139 HydrophobicContact CB-CG 4.14Å; P59-Y139 HydrophobicContact CG-CD1 4.11Å; P59-Y139 HydrophobicContact CG-CD2 4.15Å; P59-Y139 HydrophobicContact CG-CG 3.8Å; M136-Y139 HydrophobicContact CB-CD2 4.39Å; M136-Y139 PolarHBondContact O-N 3.29Å; M136-Y139 HydrophobicContact SD-CD2 3.72Å; M136-Y139 HydrophobicContact SD-CE2 3.93Å; G137-Y139 PolarHBondContact O-N 2.77Å; Y139-I141 PolarHBondContact O-N 3.49Å
140I90.1Very high86.2Confident44 Ų4461.5 Ų61.523%0.22635%0.353CS..  trans-59129.5177.4-67.7176.2000110K57 L131 G137 T142K57-I140 VanDerWaalsContact CD-O 3.25Å; K57-I140 WeakPolarHBondContact CD-O 3.2Å; K57-I140 PolarHBondContact NZ-O 3.12Å; L131-I140 HydrophobicContact CD2-CD1 3.8Å; L131-I140 HydrophobicContact CG-CD1 4.36Å; G137-I140 WeakPolarHBondContact O-CG1 3.46Å; G137-I140 PolarHBondContact O-N 2.7Å; I140-T142 HydrophobicContact CG2-CG2 4.48Å
141I91Very high86.2Confident4 Ų464.3 Ų64.32%0.02137%0.372CS..  trans-74138.9177.7-49.6-51.9000109.9N49 S52 F53 K57 Y126 N127 Y139N49-I141 HydrophobicContact CB-CG2 4.24Å; N49-I141 VanDerWaalsContact O-CG2 3.28Å; N49-I141 WeakPolarHBondContact O-CG2 3.45Å; S52-I141 WeakPolarHBondContact O-CD1 3.46Å; F53-I141 HydrophobicContact CB-CG1 4.46Å; F53-I141 HydrophobicContact CB-CG2 4.19Å; F53-I141 HydrophobicContact CD2-CG1 4.34Å; K57-I141 HydrophobicContact CB-CD1 4.04Å; K57-I141 HydrophobicContact CD-CD1 4.38Å; Y126-I141 HydrophobicContact CD1-CD1 4.37Å; Y126-I141 HydrophobicContact CD1-CG1 3.9Å; Y126-I141 HydrophobicContact CE1-CD1 4.29Å; Y126-I141 HydrophobicContact CE1-CG1 4.29Å; N127-I141 PolarHBondContact ND2-O 2.99Å; N127-I141 WeakPolarHBondContact OD1-CB 3.49Å; N127-I141 WeakPolarHBondContact OD1-CG1 3.39Å; N127-I141 PolarHBondContact OD1-N 2.96Å; Y139-I141 PolarHBondContact O-N 3.49Å
142T90.7Very high86.1Confident42 Ų4260 Ų6026%0.25835%0.349SS..  trans-150.8160.1-172.153.80000109.4G48 N49 K57 I140 Y144G48-T142 CarbonylContact C-O 3.59Å; N49-T142 WeakPolarHBondContact OD1-CA 3.16Å; N49-T142 PolarHBondContact OD1-N 3.27Å; N49-T142 PolarHBondContact OD1-O 2.74Å; K57-T142 PolarHBondContact NZ-OG1 2.77Å; I140-T142 HydrophobicContact CG2-CG2 4.48Å; T142-Y144 PolarHBondContact O-N 3.32Å
143D87Confident86.1Confident43 Ų4353 Ų5323%0.2331%0.314CS..SBendtrans-65.3-9.3179.1-53.3-85.6000113.8N43 V44 I45 V46 G48 N49N43-D143 WeakPolarHBondContact CA-O 3.38Å; V44-D143 PolarHBondContact N-O 2.88Å; I45-D143 VanDerWaalsContact CA-OD1 3.31Å; I45-D143 WeakPolarHBondContact CA-OD1 3.27Å; V46-D143 PolarHBondContact N-OD1 3.46Å; G48-D143 WeakPolarHBondContact CA-O 3.46Å; N49-D143 PolarHBondContact OD1-N 3.06Å
144Y87.4Confident86.3Confident116 Ų11650.8 Ų50.846%0.45530%0.301SS..EExtended strand (participates in β ladder)trans-72127.7164.6-63.7-77000112.5E41 A42 N43 S52 T142E41-Y144 HydrophobicContact CB-CD1 4.24Å; E41-Y144 HydrophobicContact CG-CD1 4.21Å; E41-Y144 WeakPolarHBondContact OE1-CB 3.3Å; A42-Y144 WeakPolarHBondContact O-CA 3.49Å; N43-Y144 HydrophobicContact CB-CD1 3.94Å; N43-Y144 HydrophobicContact CB-CE1 3.93Å; S52-Y144 PolarHBondContact OG-O 3.5Å; T142-Y144 PolarHBondContact O-N 3.32Å
145M85.8Confident87Confident8 Ų853 Ų534%0.03930%0.297CS..EExtended strand (participates in β ladder)trans-93.2-16-168.5-67.3177.875.400115.6A42 V44 F51 N56 I147 F152A42-M145 HydrophobicContact CB-SD 4.31Å; A42-M145 PolarHBondContact O-N 3.48Å; V44-M145 HydrophobicContact CB-SD 4.35Å; V44-M145 HydrophobicContact CG2-SD 3.88Å; F51-M145 HydrophobicContact CB-CE 3.91Å; F51-M145 HydrophobicContact CD1-CB 3.9Å; F51-M145 HydrophobicContact CD1-CE 3.8Å; F51-M145 HydrophobicContact CD1-CG 4.21Å; F51-M145 HydrophobicContact CD2-CE 3.97Å; F51-M145 HydrophobicContact CE1-CB 4.28Å; F51-M145 HydrophobicContact CE1-CE 4.28Å; F51-M145 WeakPolarHBondContact CE1-O 3.34Å; F51-M145 HydrophobicContact CE2-CE 4.44Å; F51-M145 HydrophobicContact CG-CE 3.62Å; N56-M145 PolarHBondContact ND2-O 2.95Å; M145-I147 VanDerWaalsContact C-N 3.32Å; M145-I147 HydrophobicContact CB-CD1 4.41Å; M145-I147 HydrophobicContact CB-CG1 3.84Å; M145-I147 HydrophobicContact CE-CD1 3.91Å; M145-I147 HydrophobicContact SD-CD1 4.35Å; M145-F152 HydrophobicContact CE-CD2 4.03Å; M145-F152 HydrophobicContact CE-CE2 4.16Å; M145-F152 HydrophobicContact SD-CD2 3.91Å; M145-F152 HydrophobicContact SD-CE2 4.07Å
146G85.2Confident87.4Confident42 Ų4247.2 Ų47.243%0.43327%0.269SS..EExtended strand (participates in β ladder)trans71.720.2-169.300000115.1E41 N56E41-G146 WeakPolarHBondContact OE1-CA 3.43Å; E41-G146 PolarHBondContact OE1-N 2.86Å; N56-G146 WeakPolarHBondContact ND2-CA 3.45Å
147I89.3Confident87.7Confident49 Ų4946.6 Ų46.625%0.25127%0.268SS..EExtended strand (participates in β ladder)trans-122.5155.8169.562.6177.8000109.1A42 F51 M145 F152A42-I147 HydrophobicContact CB-CG1 4.07Å; A42-I147 WeakPolarHBondContact CB-O 3.36Å; A42-I147 PolarHBondContact N-O 2.98Å; F51-I147 HydrophobicContact CE1-CG2 4.5Å; M145-I147 VanDerWaalsContact C-N 3.32Å; M145-I147 HydrophobicContact CB-CD1 4.41Å; M145-I147 HydrophobicContact CB-CG1 3.84Å; M145-I147 HydrophobicContact CE-CD1 3.91Å; M145-I147 HydrophobicContact SD-CD1 4.35Å; I147-F152 HydrophobicContact CD1-CB 3.88Å; I147-F152 HydrophobicContact CD1-CD2 4.08Å; I147-F152 HydrophobicContact CD1-CG 4.46Å; I147-F152 HydrophobicContact CG1-CB 4.31Å
148R89.8Confident88.1Confident123 Ų12345.8 Ų45.846%0.46425%0.253SS..EExtended strand (participates in β ladder)trans-74.4151.9178.6-53-174.9-155.31747.7111Q39 T40 E150 S151 F152Q39-R148 VanDerWaalsContact OE1-CD 3.28Å; T40-R148 CarbonylContact O-C 3.01Å; T40-R148 WeakPolarHBondContact O-CA 3.43Å; R148-E150 VanDerWaalsContact C-N 3.33Å; R148-E150 PolarHBondContact O-N 3.48Å; R148-S151 PolarHBondContact O-N 3.05Å; R148-S151 VanDerWaalsContact O-N 3.14Å; R148-F152 PolarHBondContact O-N 3.4Å
149N88.6Confident88.3Confident9 Ų943.3 Ų43.35%0.04824%0.236CC..Hα-helixtrans-53.5-48173.1-82.8-61.2000111.5V35 S38 T40 E41 A42 S151 F152 M153V35-N149 HydrophobicContact CG1-CB 4.18Å; S38-N149 WeakPolarHBondContact O-CB 3.38Å; T40-N149 PolarHBondContact O-N 2.99Å; T40-N149 PolarHBondContact O-ND2 3.49Å; T40-N149 VanDerWaalsContact O-ND2 3.13Å; T40-N149 PolarHBondContact OG1-ND2 3.28Å; E41-N149 PolarHBondContact O-ND2 2.85Å; A42-N149 WeakPolarHBondContact CA-OD1 3.43Å; N149-S151 VanDerWaalsContact C-N 3.34Å; N149-S151 PolarHBondContact O-N 3.37Å; N149-F152 PolarHBondContact O-N 2.97Å; N149-F152 VanDerWaalsContact O-N 3.14Å; N149-M153 WeakPolarHBondContact O-CB 3.35Å; N149-M153 VanDerWaalsContact O-CG 3.24Å; N149-M153 WeakPolarHBondContact O-CG 3.42Å; N149-M153 PolarHBondContact O-N 3.14Å
150E87.3Confident88.4Confident36 Ų3641.4 Ų41.417%0.16823%0.23CC..Hα-helixtrans-49.5-51173.6179-165.8172.100113S36 S38 Q39 R148 F152 M153 K154S36-E150 VanDerWaalsContact O-CA 3.32Å; S36-E150 WeakPolarHBondContact O-CA 3.41Å; S36-E150 WeakPolarHBondContact O-CB 3.36Å; S36-E150 WeakPolarHBondContact O-CG 3.34Å; S38-E150 PolarHBondContact O-N 2.79Å; Q39-E150 PolarHBondContact NE2-OE2 3.12Å; R148-E150 VanDerWaalsContact C-N 3.33Å; R148-E150 PolarHBondContact O-N 3.48Å; E150-F152 PolarHBondContact O-N 3.07Å; E150-M153 PolarHBondContact O-N 2.93Å; E150-K154 HydrophobicContact CG-CD 4.2Å; E150-K154 WeakPolarHBondContact O-CB 3.21Å; E150-K154 WeakPolarHBondContact O-CG 3.45Å; E150-K154 PolarHBondContact O-N 2.91Å; E150-K154 IonicContact OE1-NZ 2.7Å; E150-K154 PolarHBondContact OE1-NZ 3.23Å
151S88.9Confident88.5Confident60 Ų6040.2 Ų40.242%0.4222%0.223SC..Hα-helixtrans-67.1-37.2-178.4-48.10000112.2R148 N149 L155R148-S151 PolarHBondContact O-N 3.05Å; R148-S151 VanDerWaalsContact O-N 3.14Å; N149-S151 VanDerWaalsContact C-N 3.34Å; N149-S151 PolarHBondContact O-N 3.37Å; S151-L155 WeakPolarHBondContact O-CB 3.48Å; S151-L155 PolarHBondContact O-N 3.1Å; S151-L155 VanDerWaalsContact O-N 3.16Å
152F89.1Confident88.5Confident22 Ų2243.5 Ų43.510%0.09624%0.239CC..Hα-helixtrans-66.4-44.6174175.3-101.6000111.7A42 V44 M145 I147 R148 N149 E150 L155 A156A42-F152 HydrophobicContact CB-CB 3.75Å; A42-F152 HydrophobicContact CB-CG 4.1Å; V44-F152 HydrophobicContact CG2-CD1 4.37Å; V44-F152 HydrophobicContact CG2-CE1 3.78Å; V44-F152 HydrophobicContact CG2-CE2 4.09Å; V44-F152 HydrophobicContact CG2-CZ 3.63Å; M145-F152 HydrophobicContact CE-CD2 4.03Å; M145-F152 HydrophobicContact CE-CE2 4.16Å; M145-F152 HydrophobicContact SD-CD2 3.91Å; M145-F152 HydrophobicContact SD-CE2 4.07Å; I147-F152 HydrophobicContact CD1-CB 3.88Å; I147-F152 HydrophobicContact CD1-CD2 4.08Å; I147-F152 HydrophobicContact CD1-CG 4.46Å; I147-F152 HydrophobicContact CG1-CB 4.31Å; R148-F152 PolarHBondContact O-N 3.4Å; N149-F152 PolarHBondContact O-N 2.97Å; N149-F152 VanDerWaalsContact O-N 3.14Å; E150-F152 PolarHBondContact O-N 3.07Å; F152-L155 PolarHBondContact O-N 3.39Å; F152-A156 HydrophobicContact CE1-CB 4.46Å; F152-A156 WeakPolarHBondContact O-CB 3.3Å; F152-A156 PolarHBondContact O-N 3.35Å
153M87Confident88.4Confident9 Ų941.8 Ų41.84%0.04423%0.23CC..Hα-helixtrans-67.4-38.6-179.6-66.3-57.2-64.200112F30 D33 V35 N149 E150 A156 A157 M318F30-M153 HydrophobicContact CE2-CB 4.42Å; D33-M153 WeakPolarHBondContact OD2-CE 3.49Å; V35-M153 HydrophobicContact CG1-CG 4.15Å; V35-M153 HydrophobicContact CG1-SD 4.33Å; N149-M153 WeakPolarHBondContact O-CB 3.35Å; N149-M153 VanDerWaalsContact O-CG 3.24Å; N149-M153 WeakPolarHBondContact O-CG 3.42Å; N149-M153 PolarHBondContact O-N 3.14Å; E150-M153 PolarHBondContact O-N 2.93Å; M153-A156 PolarHBondContact O-N 3.22Å; M153-A157 WeakPolarHBondContact O-CB 3.33Å; M153-A157 PolarHBondContact O-N 3.19Å; M153-M318 HydrophobicContact CE-CE 3.53Å; M153-M318 HydrophobicContact CE-SD 4.33Å
154K87.9Confident88.6Confident30 Ų3040.1 Ų40.113%0.1322%0.22CC..Hα-helixtrans-60.7-42.1170.7-75.7174.3171.8171.80111.9F30 E150 V158 I217 D220F30-K154 HydrophobicContact CZ-CG 4.44Å; E150-K154 HydrophobicContact CG-CD 4.2Å; E150-K154 WeakPolarHBondContact O-CB 3.21Å; E150-K154 WeakPolarHBondContact O-CG 3.45Å; E150-K154 PolarHBondContact O-N 2.91Å; E150-K154 IonicContact OE1-NZ 2.7Å; E150-K154 PolarHBondContact OE1-NZ 3.23Å; K154-V158 WeakPolarHBondContact O-CG2 3.12Å; K154-V158 PolarHBondContact O-N 3.11Å; K154-I217 HydrophobicContact CB-CG2 3.92Å; K154-I217 WeakPolarHBondContact CE-O 3.39Å; K154-I217 HydrophobicContact CG-CG2 3.91Å; K154-D220 WeakPolarHBondContact CE-OD1 3.33Å; K154-D220 IonicContact NZ-OD1 2.71Å; K154-D220 PolarHBondContact NZ-OD1 3.49Å; K154-D220 IonicContact NZ-OD2 3.99Å; K154-D220 PolarHBondContact NZ-OD2 3.22Å
155L88.6Confident88.8Confident114 Ų11434.8 Ų34.860%0.59720%0.2SC*.Hα-helixtrans-67.5-42.3175.5179.462.2000112.2S151 F152 V158 G159S151-L155 WeakPolarHBondContact O-CB 3.48Å; S151-L155 PolarHBondContact O-N 3.1Å; S151-L155 VanDerWaalsContact O-N 3.16Å; F152-L155 PolarHBondContact O-N 3.39Å; L155-V158 PolarHBondContact O-N 3.43Å; L155-G159 PolarHBondContact O-N 2.94Å
156A88.1Confident88.9Confident21 Ų2135.3 Ų35.317%0.17420%0.203CC..Hα-helixtrans-61.9-47177.300000111.1F152 M153 V158 G159 T160F152-A156 HydrophobicContact CE1-CB 4.46Å; F152-A156 WeakPolarHBondContact O-CB 3.3Å; F152-A156 PolarHBondContact O-N 3.35Å; M153-A156 PolarHBondContact O-N 3.22Å; A156-V158 VanDerWaalsContact C-N 3.34Å; A156-V158 PolarHBondContact O-N 2.83Å; A156-G159 CarbonylContact O-C 3.56Å; A156-G159 WeakPolarHBondContact O-CA 3.31Å; A156-G159 PolarHBondContact O-N 2.86Å; A156-T160 PolarHBondContact O-N 3.36Å; A156-T160 PolarHBondContact O-OG1 2.85Å
157A87.8Confident89.1Confident17 Ų1733.8 Ų33.814%0.1419%0.185CC..Hα-helixtrans-61.4-37.7178.100000113.2F30 M153 G159 W161 I217F30-A157 HydrophobicContact CD1-CB 4.34Å; F30-A157 HydrophobicContact CD2-CB 3.55Å; F30-A157 HydrophobicContact CE1-CB 4.38Å; F30-A157 HydrophobicContact CE2-CB 3.6Å; F30-A157 HydrophobicContact CG-CB 3.94Å; F30-A157 HydrophobicContact CZ-CB 4.03Å; M153-A157 WeakPolarHBondContact O-CB 3.33Å; M153-A157 PolarHBondContact O-N 3.19Å; A157-G159 VanDerWaalsContact C-N 3.35Å; A157-W161 VanDerWaalsContact O-CB 3.29Å; A157-W161 WeakPolarHBondContact O-CB 3.4Å; A157-W161 PolarHBondContact O-N 3.29Å; A157-I217 HydrophobicContact CB-CD1 4Å
158V89.2Confident89.1Confident32 Ų3231.5 Ų31.519%0.19417%0.174CC..Hα-helixtrans-67.4-35.7172.1171.40000111.7K154 L155 A156 M162 V214 I217K154-V158 WeakPolarHBondContact O-CG2 3.12Å; K154-V158 PolarHBondContact O-N 3.11Å; L155-V158 PolarHBondContact O-N 3.43Å; A156-V158 VanDerWaalsContact C-N 3.34Å; A156-V158 PolarHBondContact O-N 2.83Å; V158-M162 WeakPolarHBondContact O-CB 3.32Å; V158-M162 PolarHBondContact O-N 3.48Å; V158-M162 VanDerWaalsContact O-N 3.07Å; V158-V214 HydrophobicContact CG1-CG2 3.82Å; V158-V214 HydrophobicContact CG2-CG2 4.04Å; V158-I217 HydrophobicContact CG2-CB 4.4Å; V158-I217 HydrophobicContact CG2-CD1 3.9Å; V158-I217 HydrophobicContact CG2-CG2 4.17Å
159G88.7Confident89.1Confident35 Ų3526.5 Ų26.536%0.36116%0.155SC..Hα-helixtrans-66.6-48.6174.600000113.2L155 A156 A157 M162 G163L155-G159 PolarHBondContact O-N 2.94Å; A156-G159 CarbonylContact O-C 3.56Å; A156-G159 WeakPolarHBondContact O-CA 3.31Å; A156-G159 PolarHBondContact O-N 2.86Å; A157-G159 VanDerWaalsContact C-N 3.35Å; G159-M162 WeakPolarHBondContact O-CB 3.46Å; G159-M162 PolarHBondContact O-N 3.02Å; G159-G163 PolarHBondContact O-N 2.83Å
160T89.7Confident89Confident13 Ų1326.3 Ų26.38%0.0815%0.154CC..Hα-helixtrans-60.6-49.5174.5-60.40000110.3N26 A156 M162 G163 D164 V311N26-T160 HydrophobicContact CB-CG2 4.02Å; N26-T160 WeakPolarHBondContact ND2-CG2 3.21Å; A156-T160 PolarHBondContact O-N 3.36Å; A156-T160 PolarHBondContact O-OG1 2.85Å; T160-M162 VanDerWaalsContact C-N 3.29Å; T160-M162 PolarHBondContact O-N 3.49Å; T160-G163 PolarHBondContact O-N 3.13Å; T160-D164 WeakPolarHBondContact O-CB 3.49Å; T160-D164 PolarHBondContact O-N 3.35Å; T160-D164 VanDerWaalsContact O-OD1 3.11Å; T160-V311 HydrophobicContact CG2-CG1 4.45Å
161W91.8Very high89Confident20 Ų2024.6 Ų24.68%0.07615%0.146CC..Hα-helixtrans-50.5-46.7172.5160.1-100.1000112.8I23 F27 A157 G163 F165 L209 T210 V213I23-W161 HydrophobicContact CG2-CE3 4.27Å; I23-W161 HydrophobicContact CG2-CZ3 3.97Å; F27-W161 AromaticContact CE2-CE3 3.57Å; F27-W161 HydrophobicContact CE2-CE3 3.57Å; F27-W161 AromaticContact CE2-CZ3 3.9Å; F27-W161 HydrophobicContact CE2-CZ3 3.9Å; F27-W161 HydrophobicContact CZ-CD2 4.23Å; F27-W161 AromaticContact CZ-CE3 3.59Å; F27-W161 HydrophobicContact CZ-CE3 3.59Å; F27-W161 HydrophobicContact CZ-CZ3 4.2Å; A157-W161 VanDerWaalsContact O-CB 3.29Å; A157-W161 WeakPolarHBondContact O-CB 3.4Å; A157-W161 PolarHBondContact O-N 3.29Å; W161-G163 VanDerWaalsContact C-N 3.34Å; W161-G163 PolarHBondContact O-N 2.89Å; W161-F165 HydrophobicContact CD2-CB 4.45Å; W161-F165 HydrophobicContact CH2-CB 4.41Å; W161-F165 AromaticContact CH2-CD2 3.72Å; W161-F165 HydrophobicContact CH2-CD2 3.72Å; W161-F165 HydrophobicContact CH2-CG 4.48Å; W161-F165 HydrophobicContact CZ2-CB 4.14Å; W161-F165 AromaticContact CZ2-CD2 3.6Å; W161-F165 HydrophobicContact CZ2-CD2 3.6Å; W161-F165 HydrophobicContact CZ2-CE2 4.41Å; W161-F165 HydrophobicContact CZ2-CG 4.12Å; W161-F165 WeakPolarHBondContact O-CB 3.26Å; W161-F165 PolarHBondContact O-N 3.43Å; W161-L209 HydrophobicContact CH2-CB 4Å; W161-L209 HydrophobicContact CH2-CD1 4.34Å; W161-L209 HydrophobicContact CZ2-CB 3.69Å; W161-T210 PolarHBondContact NE1-OG1 2.93Å; W161-T210 VanDerWaalsContact NE1-OG1 3.09Å; W161-V213 HydrophobicContact CB-CG1 4.07Å; W161-V213 HydrophobicContact CD2-CB 4.16Å; W161-V213 HydrophobicContact CD2-CG1 3.9Å; W161-V213 HydrophobicContact CD2-CG2 3.88Å; W161-V213 HydrophobicContact CE3-CG2 4.06Å; W161-V213 HydrophobicContact CG-CB 4.27Å; W161-V213 HydrophobicContact CG-CG1 3.63Å; W161-V213 HydrophobicContact CG-CG2 4.48Å; W161-V213 HydrophobicContact CH2-CG2 4.12Å; W161-V213 HydrophobicContact CZ2-CG2 3.98Å; W161-V213 HydrophobicContact CZ3-CG2 4.16Å
162M90.2Very high89Confident73 Ų7322.4 Ų22.436%0.3613%0.13SC..Hα-helixtrans-63.7-40.8179.7-177.262.362.900111.6V158 G159 T160 V166 L206 T210V158-M162 WeakPolarHBondContact O-CB 3.32Å; V158-M162 PolarHBondContact O-N 3.48Å; V158-M162 VanDerWaalsContact O-N 3.07Å; G159-M162 WeakPolarHBondContact O-CB 3.46Å; G159-M162 PolarHBondContact O-N 3.02Å; T160-M162 VanDerWaalsContact C-N 3.29Å; T160-M162 PolarHBondContact O-N 3.49Å; M162-V166 WeakPolarHBondContact O-CB 3.44Å; M162-V166 VanDerWaalsContact O-CG2 3.29Å; M162-V166 WeakPolarHBondContact O-CG2 3.38Å; M162-V166 PolarHBondContact O-N 3.24Å; M162-V166 VanDerWaalsContact O-N 3.15Å; M162-V166 HydrophobicContact SD-CG2 4.45Å; M162-L206 HydrophobicContact CE-CD1 4.23Å; M162-L206 HydrophobicContact SD-CD1 3.83Å; M162-T210 HydrophobicContact CE-CG2 3.7Å
163G89.6Confident88.9Confident6 Ų621.5 Ų21.56%0.06213%0.126CC..Hα-helixtrans-67-49.7176.900000113G159 T160 W161 V166 T167G159-G163 PolarHBondContact O-N 2.83Å; T160-G163 PolarHBondContact O-N 3.13Å; W161-G163 VanDerWaalsContact C-N 3.34Å; W161-G163 PolarHBondContact O-N 2.89Å; G163-V166 PolarHBondContact O-N 2.96Å; G163-T167 VanDerWaalsContact O-CB 3.28Å; G163-T167 WeakPolarHBondContact O-CB 3.39Å; G163-T167 PolarHBondContact O-N 2.82Å; G163-T167 PolarHBondContact O-OG1 3.43Å
164D90.8Very high88.6Confident7 Ų722 Ų224%0.03713%0.129CC..Hα-helixtrans-64.1-42.6179.5-59.32.3000111I23 N26 T160 T167 A168 V311I23-D164 HydrophobicContact CD1-CB 4.44Å; I23-D164 HydrophobicContact CG1-CB 3.54Å; N26-D164 WeakPolarHBondContact CB-OD2 3.35Å; N26-D164 PolarHBondContact ND2-OD2 2.82Å; T160-D164 WeakPolarHBondContact O-CB 3.49Å; T160-D164 PolarHBondContact O-N 3.35Å; T160-D164 VanDerWaalsContact O-OD1 3.11Å; D164-T167 PolarHBondContact O-N 3.39Å; D164-A168 WeakPolarHBondContact O-CB 3.24Å; D164-A168 PolarHBondContact O-N 2.77Å; D164-V311 VanDerWaalsContact OD1-CG1 3.31Å; D164-V311 WeakPolarHBondContact OD1-CG1 3.28Å
165F91.8Very high88.5Confident5 Ų520.6 Ų20.62%0.02212%0.123CC..Hα-helixtrans-58.2-54175.8176.2-86.5000110.7W161 T167 A168 W169 V205 L206 L209W161-F165 HydrophobicContact CD2-CB 4.45Å; W161-F165 HydrophobicContact CH2-CB 4.41Å; W161-F165 AromaticContact CH2-CD2 3.72Å; W161-F165 HydrophobicContact CH2-CD2 3.72Å; W161-F165 HydrophobicContact CH2-CG 4.48Å; W161-F165 HydrophobicContact CZ2-CB 4.14Å; W161-F165 AromaticContact CZ2-CD2 3.6Å; W161-F165 HydrophobicContact CZ2-CD2 3.6Å; W161-F165 HydrophobicContact CZ2-CE2 4.41Å; W161-F165 HydrophobicContact CZ2-CG 4.12Å; W161-F165 WeakPolarHBondContact O-CB 3.26Å; W161-F165 PolarHBondContact O-N 3.43Å; F165-T167 PolarHBondContact O-N 3.29Å; F165-A168 PolarHBondContact O-N 3.14Å; F165-W169 AromaticContact CD2-CD1 3.96Å; F165-W169 HydrophobicContact CE1-CB 4.39Å; F165-W169 AromaticContact CE1-CD1 3.76Å; F165-W169 HydrophobicContact CE1-CG 4.03Å; F165-W169 AromaticContact CE2-CD1 3.35Å; F165-W169 HydrophobicContact CE2-CG 4.35Å; F165-W169 AromaticContact CE2-NE1 3.4Å; F165-W169 AromaticContact CZ-CD1 3.23Å; F165-W169 HydrophobicContact CZ-CD2 4.26Å; F165-W169 AromaticContact CZ-CE2 3.92Å; F165-W169 AromaticContact CZ-CG 3.85Å; F165-W169 HydrophobicContact CZ-CG 3.85Å; F165-W169 AromaticContact CZ-NE1 3.29Å; F165-W169 VanDerWaalsContact CZ-NE1 3.29Å; F165-W169 VanDerWaalsContact O-CB 3.3Å; F165-W169 WeakPolarHBondContact O-CB 3.39Å; F165-W169 PolarHBondContact O-N 2.98Å; F165-V205 HydrophobicContact CE2-CG1 4Å; F165-V205 HydrophobicContact CZ-CG1 4.1Å; F165-L206 HydrophobicContact CD1-CD1 3.52Å; F165-L206 HydrophobicContact CE1-CB 3.67Å; F165-L206 HydrophobicContact CE1-CD1 3.48Å; F165-L206 VanDerWaalsContact CE1-CD1 3.48Å; F165-L206 HydrophobicContact CE1-CG 4.11Å; F165-L206 HydrophobicContact CG-CD1 4.41Å; F165-L206 HydrophobicContact CZ-CB 3.93Å; F165-L206 HydrophobicContact CZ-CD1 4.31Å; F165-L209 HydrophobicContact CE2-CD1 4.19Å
166V88.4Confident88.3Confident19 Ų1915.8 Ų15.812%0.11510%0.098CC..Hα-helixtrans-62.2-34.6-179.9171.50000110.9M162 G163 M170 I307M162-V166 WeakPolarHBondContact O-CB 3.44Å; M162-V166 VanDerWaalsContact O-CG2 3.29Å; M162-V166 WeakPolarHBondContact O-CG2 3.38Å; M162-V166 PolarHBondContact O-N 3.24Å; M162-V166 VanDerWaalsContact O-N 3.15Å; M162-V166 HydrophobicContact SD-CG2 4.45Å; G163-V166 PolarHBondContact O-N 2.96Å; V166-M170 VanDerWaalsContact O-CB 3.26Å; V166-M170 WeakPolarHBondContact O-CB 3.47Å; V166-M170 PolarHBondContact O-N 3.1Å; V166-I307 HydrophobicContact CG1-CD1 3.82Å
167T88.1Confident87.9Confident9 Ų916.8 Ų16.86%0.05510%0.099CC..Hα-helixtrans-67.2-52.7176.7-62.40000112.2G163 D164 F165 W169 M170 V171 I253 I308G163-T167 VanDerWaalsContact O-CB 3.28Å; G163-T167 WeakPolarHBondContact O-CB 3.39Å; G163-T167 PolarHBondContact O-N 2.82Å; G163-T167 PolarHBondContact O-OG1 3.43Å; D164-T167 PolarHBondContact O-N 3.39Å; F165-T167 PolarHBondContact O-N 3.29Å; T167-W169 VanDerWaalsContact C-N 3.32Å; T167-W169 PolarHBondContact O-N 3.4Å; T167-M170 WeakPolarHBondContact O-CB 3.3Å; T167-M170 PolarHBondContact O-N 3.12Å; T167-V171 WeakPolarHBondContact O-CG2 3.48Å; T167-V171 PolarHBondContact O-N 3.38Å; T167-I253 HydrophobicContact CG2-CD1 4Å; T167-I253 HydrophobicContact CG2-CG2 3.84Å; T167-I308 HydrophobicContact CG2-CD1 3.87Å; T167-I308 HydrophobicContact CG2-CG1 3.72Å; T167-I308 WeakPolarHBondContact OG1-CG1 3.36Å
168A90.8Very high87.1Confident1 Ų117.4 Ų17.41%0.00810%0.1CC..Hα-helixtrans-66.1-34.3178.900000112.3A19 Y20 I23 D164 F165 T172A19-A168 HydrophobicContact CB-CB 4Å; Y20-A168 HydrophobicContact CD1-CB 4.11Å; Y20-A168 HydrophobicContact CE1-CB 3.88Å; Y20-A168 HydrophobicContact CE2-CB 4.48Å; Y20-A168 HydrophobicContact CG-CB 4.49Å; I23-A168 HydrophobicContact CD1-CB 3.7Å; D164-A168 WeakPolarHBondContact O-CB 3.24Å; D164-A168 PolarHBondContact O-N 2.77Å; F165-A168 PolarHBondContact O-N 3.14Å; A168-T172 WeakPolarHBondContact O-CB 3.4Å; A168-T172 PolarHBondContact O-N 3.49Å; A168-T172 PolarHBondContact O-OG1 3.03Å
169W89.6Confident86.1Confident18 Ų1824.3 Ų24.37%0.06813%0.127CC..Hα-helixtrans-71-38.2171.9-101.582.7000113.3F165 T167 T172 D173 W192 L201 F202 V205F165-W169 AromaticContact CD2-CD1 3.96Å; F165-W169 HydrophobicContact CE1-CB 4.39Å; F165-W169 AromaticContact CE1-CD1 3.76Å; F165-W169 HydrophobicContact CE1-CG 4.03Å; F165-W169 AromaticContact CE2-CD1 3.35Å; F165-W169 HydrophobicContact CE2-CG 4.35Å; F165-W169 AromaticContact CE2-NE1 3.4Å; F165-W169 AromaticContact CZ-CD1 3.23Å; F165-W169 HydrophobicContact CZ-CD2 4.26Å; F165-W169 AromaticContact CZ-CE2 3.92Å; F165-W169 AromaticContact CZ-CG 3.85Å; F165-W169 HydrophobicContact CZ-CG 3.85Å; F165-W169 AromaticContact CZ-NE1 3.29Å; F165-W169 VanDerWaalsContact CZ-NE1 3.29Å; F165-W169 VanDerWaalsContact O-CB 3.3Å; F165-W169 WeakPolarHBondContact O-CB 3.39Å; F165-W169 PolarHBondContact O-N 2.98Å; T167-W169 VanDerWaalsContact C-N 3.32Å; T167-W169 PolarHBondContact O-N 3.4Å; W169-T172 PolarHBondContact O-N 2.86Å; W169-D173 WeakPolarHBondContact O-CB 3.34Å; W169-D173 PolarHBondContact O-N 3.35Å; W169-W192 AromaticContact CE3-CH2 3.94Å; W169-W192 HydrophobicContact CE3-CH2 3.94Å; W169-W192 HydrophobicContact CE3-CZ2 4.09Å; W169-W192 AromaticContact CH2-CH2 3.52Å; W169-W192 HydrophobicContact CH2-CH2 3.52Å; W169-W192 HydrophobicContact CH2-CZ2 4.33Å; W169-W192 HydrophobicContact CH2-CZ3 4.29Å; W169-W192 HydrophobicContact CZ2-CH2 4.44Å; W169-W192 AromaticContact CZ3-CH2 3.21Å; W169-W192 HydrophobicContact CZ3-CH2 3.21Å; W169-W192 AromaticContact CZ3-CZ2 3.58Å; W169-W192 HydrophobicContact CZ3-CZ2 3.58Å; W169-W192 HydrophobicContact CZ3-CZ3 4.33Å; W169-L201 VanDerWaalsContact CH2-C 3.49Å; W169-L201 HydrophobicContact CH2-CB 4.22Å; W169-L201 HydrophobicContact CH2-CD2 3.49Å; W169-L201 VanDerWaalsContact CH2-CD2 3.49Å; W169-L201 HydrophobicContact CH2-CG 4.45Å; W169-L201 HydrophobicContact CZ2-CD2 3.77Å; W169-F202 HydrophobicContact CB-CE2 4.31Å; W169-F202 HydrophobicContact CD2-CD2 4.13Å; W169-F202 HydrophobicContact CE3-CB 4.21Å; W169-F202 AromaticContact CE3-CD2 3.54Å; W169-F202 HydrophobicContact CE3-CD2 3.54Å; W169-F202 HydrophobicContact CE3-CE2 4.4Å; W169-F202 HydrophobicContact CE3-CG 4.33Å; W169-F202 VanDerWaalsContact CH2-CA 3.44Å; W169-F202 HydrophobicContact CH2-CB 4.23Å; W169-F202 VanDerWaalsContact CZ3-CA 3.41Å; W169-F202 HydrophobicContact CZ3-CB 3.67Å; W169-F202 AromaticContact CZ3-CD2 3.92Å; W169-F202 HydrophobicContact CZ3-CD2 3.92Å; W169-F202 HydrophobicContact CZ3-CG 4.28Å; W169-V205 HydrophobicContact CZ2-CB 3.71Å; W169-V205 HydrophobicContact CZ2-CG1 3.84Å; W169-V205 HydrophobicContact CZ2-CG2 4.09Å
170M85.7Confident85.5Confident5 Ų525.5 Ų25.53%0.02513%0.128CC..Hα-helixtrans-58.8-50.1170.2174.4-156.961.600110.2V166 T167 T172 D173 M174 P272 N304 I308V166-M170 VanDerWaalsContact O-CB 3.26Å; V166-M170 WeakPolarHBondContact O-CB 3.47Å; V166-M170 PolarHBondContact O-N 3.1Å; T167-M170 WeakPolarHBondContact O-CB 3.3Å; T167-M170 PolarHBondContact O-N 3.12Å; M170-T172 VanDerWaalsContact C-N 3.32Å; M170-T172 PolarHBondContact O-N 2.92Å; M170-D173 PolarHBondContact O-N 3.32Å; M170-M174 HydrophobicContact CE-SD 4.42Å; M170-M174 HydrophobicContact CG-CG 4.25Å; M170-M174 HydrophobicContact CG-SD 3.79Å; M170-M174 WeakPolarHBondContact O-CB 3.5Å; M170-M174 VanDerWaalsContact O-CG 3.3Å; M170-M174 WeakPolarHBondContact O-CG 3.41Å; M170-M174 PolarHBondContact O-N 3.07Å; M170-M174 HydrophobicContact SD-SD 4Å; M170-P272 HydrophobicContact CB-CG 4.28Å; M170-N304 HydrophobicContact CG-CB 4.4Å; M170-N304 WeakPolarHBondContact CG-ND2 3.49Å; M170-N304 HydrophobicContact SD-CB 3.34Å; M170-N304 WeakPolarHBondContact SD-CB 3.48Å; M170-N304 PolarHBondContact SD-ND2 3.04Å; M170-I308 HydrophobicContact CE-CD1 4.1Å
171V87.5Confident85.2Confident1 Ų125.1 Ų25.11%0.00613%0.125CC..Hα-helixtrans-57.3-47.8179.4169.50000110.3R15 A19 T167 M174 M175 I253R15-V171 HydrophobicContact CB-CG1 3.72Å; A19-V171 HydrophobicContact CB-CB 4.36Å; A19-V171 HydrophobicContact CB-CG1 4.42Å; A19-V171 HydrophobicContact CB-CG2 4.3Å; T167-V171 WeakPolarHBondContact O-CG2 3.48Å; T167-V171 PolarHBondContact O-N 3.38Å; V171-M174 PolarHBondContact O-N 3.06Å; V171-M175 VanDerWaalsContact O-CG 3.28Å; V171-M175 WeakPolarHBondContact O-CG 3.48Å; V171-M175 PolarHBondContact O-N 3.19Å; V171-I253 HydrophobicContact CG2-CG2 4.04Å
172T89.6Confident84.6Confident13 Ų1327.8 Ų27.88%0.0815%0.145CC..Hα-helixtrans-62.4-45.3178.4-60.80000112.3M16 Y20 A168 W169 M170 M175 L176M16-T172 HydrophobicContact CE-CG2 3.99Å; Y20-T172 WeakPolarHBondContact CE2-OG1 3.43Å; Y20-T172 PolarHBondContact OH-OG1 2.9Å; A168-T172 WeakPolarHBondContact O-CB 3.4Å; A168-T172 PolarHBondContact O-N 3.49Å; A168-T172 PolarHBondContact O-OG1 3.03Å; W169-T172 PolarHBondContact O-N 2.86Å; M170-T172 VanDerWaalsContact C-N 3.32Å; M170-T172 PolarHBondContact O-N 2.92Å; T172-M175 PolarHBondContact O-N 2.75Å; T172-L176 HydrophobicContact CG2-CD1 3.88Å; T172-L176 HydrophobicContact CG2-CG 4.49Å; T172-L176 WeakPolarHBondContact O-CB 3.22Å; T172-L176 VanDerWaalsContact O-CG 3.3Å; T172-L176 WeakPolarHBondContact O-CG 3.33Å; T172-L176 PolarHBondContact O-N 3.11Å
173D85.4Confident84.3Confident3 Ų329.9 Ų29.92%0.01616%0.158CC..Hα-helixtrans-64.6-41.6178.6-178.534.8000112W169 M170 L176 Q177 W192 R198W169-D173 WeakPolarHBondContact O-CB 3.34Å; W169-D173 PolarHBondContact O-N 3.35Å; M170-D173 PolarHBondContact O-N 3.32Å; D173-L176 PolarHBondContact O-N 2.81Å; D173-Q177 WeakPolarHBondContact O-CB 3.39Å; D173-Q177 VanDerWaalsContact O-CG 3.31Å; D173-Q177 WeakPolarHBondContact O-CG 3.5Å; D173-Q177 PolarHBondContact O-N 3.1Å; D173-Q177 PolarHBondContact OD1-NE2 3.41Å; D173-Q177 PolarHBondContact OD2-NE2 2.76Å; D173-W192 HydrophobicContact CB-CZ2 4.22Å; D173-W192 PolarHBondContact OD1-NE1 3.42Å; D173-R198 VanDerWaalsContact CG-NE 3.32Å; D173-R198 WeakPolarHBondContact OD1-CD 3.46Å; D173-R198 IonicContact OD1-CZ 2.76Å; D173-R198 IonicContact OD1-NE 2.73Å; D173-R198 PolarHBondContact OD1-NE 2.9Å; D173-R198 IonicContact OD1-NH2 2.62Å; D173-R198 IonicContact OD2-CZ 3.68Å; D173-R198 VanDerWaalsContact OD2-CZ 3.31Å; D173-R198 IonicContact OD2-NE 2.73Å; D173-R198 PolarHBondContact OD2-NE 2.91Å; D173-R198 IonicContact OD2-NH2 3.93Å; D173-R198 PolarHBondContact OD2-NH2 2.68Å
174M80.8Confident84.2Confident19 Ų1931 Ų319%0.09416%0.16CC..Hα-helixtrans-59.1-52.1171.3-74.8177.969.500110.8M170 V171 L176 Q177 D178 D257 V269M170-M174 HydrophobicContact CE-SD 4.42Å; M170-M174 HydrophobicContact CG-CG 4.25Å; M170-M174 HydrophobicContact CG-SD 3.79Å; M170-M174 WeakPolarHBondContact O-CB 3.5Å; M170-M174 VanDerWaalsContact O-CG 3.3Å; M170-M174 WeakPolarHBondContact O-CG 3.41Å; M170-M174 PolarHBondContact O-N 3.07Å; M170-M174 HydrophobicContact SD-SD 4Å; V171-M174 PolarHBondContact O-N 3.06Å; M174-L176 VanDerWaalsContact C-N 3.28Å; M174-L176 PolarHBondContact O-N 2.84Å; M174-Q177 PolarHBondContact O-N 3.23Å; M174-D178 VanDerWaalsContact O-CB 3.29Å; M174-D178 WeakPolarHBondContact O-CB 3.32Å; M174-D178 PolarHBondContact O-N 2.94Å; M174-D257 VanDerWaalsContact CE-OD2 3.27Å; M174-D257 WeakPolarHBondContact CE-OD2 3.37Å; M174-V269 HydrophobicContact CG-CG1 4.11Å
175M85.5Confident83.9Confident1 Ų132 Ų321%0.00517%0.172CC..Hα-helixtrans-61.2-35.1180-66.7-50.688.700112.7P12 V171 T172 W184 W258P12-M175 HydrophobicContact CB-CB 4.19Å; P12-M175 HydrophobicContact CB-CG 3.93Å; P12-M175 HydrophobicContact CB-SD 3.83Å; P12-M175 HydrophobicContact CG-CG 4.46Å; P12-M175 HydrophobicContact CG-SD 3.79Å; V171-M175 VanDerWaalsContact O-CG 3.28Å; V171-M175 WeakPolarHBondContact O-CG 3.48Å; V171-M175 PolarHBondContact O-N 3.19Å; T172-M175 PolarHBondContact O-N 2.75Å; M175-W184 HydrophobicContact CB-CH2 4.03Å; M175-W184 HydrophobicContact CB-CZ3 3.85Å; M175-W258 HydrophobicContact CE-CZ2 4.41Å; M175-W258 HydrophobicContact SD-CZ2 4.4Å
176L85.8Confident83.7Confident14 Ų1437.5 Ų37.57%0.07320%0.196CC..Hα-helixtrans-75.5-35.4177.6-69.8171.6000112.3T172 D173 M174 D178 W184 A188 R189 W192 K193T172-L176 HydrophobicContact CG2-CD1 3.88Å; T172-L176 HydrophobicContact CG2-CG 4.49Å; T172-L176 WeakPolarHBondContact O-CB 3.22Å; T172-L176 VanDerWaalsContact O-CG 3.3Å; T172-L176 WeakPolarHBondContact O-CG 3.33Å; T172-L176 PolarHBondContact O-N 3.11Å; D173-L176 PolarHBondContact O-N 2.81Å; M174-L176 VanDerWaalsContact C-N 3.28Å; M174-L176 PolarHBondContact O-N 2.84Å; L176-D178 VanDerWaalsContact C-N 3.31Å; L176-W184 HydrophobicContact CD2-CH2 4.28Å; L176-W184 HydrophobicContact CD2-CZ3 4.07Å; L176-A188 HydrophobicContact CD2-CB 3.94Å; L176-R189 HydrophobicContact CB-CG 4.43Å; L176-R189 HydrophobicContact CD2-CG 3.74Å; L176-R189 WeakPolarHBondContact O-CG 3.22Å; L176-R189 PolarHBondContact O-NE 3.31Å; L176-W192 HydrophobicContact CB-CB 4.13Å; L176-W192 HydrophobicContact CB-CD2 4.27Å; L176-W192 HydrophobicContact CB-CG 3.77Å; L176-W192 HydrophobicContact CD1-CB 4.28Å; L176-W192 HydrophobicContact CD1-CD2 3.45Å; L176-W192 VanDerWaalsContact CD1-CD2 3.45Å; L176-W192 HydrophobicContact CD1-CE3 3.64Å; L176-W192 HydrophobicContact CD1-CG 3.79Å; L176-W192 HydrophobicContact CD1-CH2 4.11Å; L176-W192 HydrophobicContact CD1-CZ2 4.03Å; L176-W192 HydrophobicContact CD1-CZ3 3.96Å; L176-W192 HydrophobicContact CG-CD2 4.48Å; L176-W192 HydrophobicContact CG-CG 4.37Å; L176-K193 VanDerWaalsContact O-CE 3.29Å; L176-K193 WeakPolarHBondContact O-CE 3.33Å
177Q79Confident83.8Confident42 Ų4241.5 Ų41.520%0.19623%0.225CC..Hα-helixtrans-70.2-26.9172.4-74.1-177.567.800113.4D173 M174 K193 R198D173-Q177 WeakPolarHBondContact O-CB 3.39Å; D173-Q177 VanDerWaalsContact O-CG 3.31Å; D173-Q177 WeakPolarHBondContact O-CG 3.5Å; D173-Q177 PolarHBondContact O-N 3.1Å; D173-Q177 PolarHBondContact OD1-NE2 3.41Å; D173-Q177 PolarHBondContact OD2-NE2 2.76Å; M174-Q177 PolarHBondContact O-N 3.23Å; Q177-K193 WeakPolarHBondContact O-CE 3.24Å; Q177-K193 PolarHBondContact O-NZ 3.07Å; Q177-R198 VanDerWaalsContact NE2-NE 3.18Å
178D70.9Confident83.8Confident30 Ų3043.4 Ų43.416%0.1624%0.242CC..  trans-60.1170.5-160.8-142.1-11.6000117.2M174 L176 P180 R189 W258M174-D178 VanDerWaalsContact O-CB 3.29Å; M174-D178 WeakPolarHBondContact O-CB 3.32Å; M174-D178 PolarHBondContact O-N 2.94Å; L176-D178 VanDerWaalsContact C-N 3.31Å; D178-P180 VanDerWaalsContact CG-CD 3.43Å; D178-P180 WeakPolarHBondContact OD1-CD 3.4Å; D178-R189 PolarHBondContact O-NH2 3.3Å; D178-W258 PolarHBondContact OD2-NE1 3.3Å
179K69.1Low83.6Confident177 Ų17745 Ų4577%0.7725%0.248SC*.SBendtrans-120.3-35.5-179.7-64.9179.8-176.2172.20116.4Y181K179-Y181 VanDerWaalsContact C-N 3.26Å; K179-Y181 PolarHBondContact O-N 2.99Å
180P76.1Confident83.5Confident59 Ų5947.5 Ų47.538%0.38327%0.272SS..SBendtrans-66.2-17.9-173.8-24.736000116.3D178 P182D178-P180 VanDerWaalsContact CG-CD 3.43Å; D178-P180 WeakPolarHBondContact OD1-CD 3.4Å; P180-P182 WeakPolarHBondContact O-CD 3.32Å
181Y81.9Confident83.7Confident6 Ų652.5 Ų52.52%0.02429%0.294CS..  trans-113.969.6177.6-61.5-97.4000109.6Y7 H11 P12 K179 D183 W184 W258Y7-Y181 HydrophobicContact CD1-CE1 4.44Å; Y7-Y181 AromaticContact CD2-CE1 3.71Å; Y7-Y181 HydrophobicContact CD2-CE1 3.71Å; Y7-Y181 AromaticContact CD2-CZ 3.79Å; Y7-Y181 WeakPolarHBondContact CD2-OH 3.25Å; Y7-Y181 HydrophobicContact CE1-CE1 4.06Å; Y7-Y181 AromaticContact CE2-CD1 3.95Å; Y7-Y181 HydrophobicContact CE2-CD1 3.95Å; Y7-Y181 AromaticContact CE2-CE1 3.26Å; Y7-Y181 HydrophobicContact CE2-CE1 3.26Å; Y7-Y181 AromaticContact CE2-CZ 3.74Å; Y7-Y181 HydrophobicContact CG-CE1 4.28Å; Y7-Y181 AromaticContact CZ-CD1 3.95Å; Y7-Y181 AromaticContact CZ-CE1 3.44Å; Y7-Y181 VanDerWaalsContact CZ-CE1 3.44Å; Y7-Y181 PolarHBondContact O-OH 3.32Å; Y7-Y181 VanDerWaalsContact O-OH 3.11Å; H11-Y181 AromaticContact CD2-CD1 3.71Å; H11-Y181 AromaticContact CD2-CE1 3.54Å; H11-Y181 AromaticContact NE2-CD1 3.97Å; P12-Y181 HydrophobicContact CG-CD1 4.25Å; P12-Y181 HydrophobicContact CG-CD2 4.02Å; P12-Y181 HydrophobicContact CG-CG 3.8Å; K179-Y181 VanDerWaalsContact C-N 3.26Å; K179-Y181 PolarHBondContact O-N 2.99Å; Y181-D183 PolarHBondContact O-N 3.4Å; Y181-W184 PolarHBondContact O-N 3.05Å; Y181-W258 HydrophobicContact CD2-CH2 4.17Å; Y181-W258 HydrophobicContact CD2-CZ2 4.05Å; Y181-W258 AromaticContact CE2-CH2 3.14Å; Y181-W258 HydrophobicContact CE2-CH2 3.14Å; Y181-W258 AromaticContact CE2-CZ2 3.43Å; Y181-W258 HydrophobicContact CE2-CZ2 3.43Å; Y181-W258 VanDerWaalsContact CE2-CZ2 3.43Å; Y181-W258 HydrophobicContact CE2-CZ3 4Å; Y181-W258 AromaticContact CZ-CH2 3.59Å; Y181-W258 WeakPolarHBondContact OH-CH2 3.41Å
182P79.7Confident83.8Confident76 Ų7653.3 Ų53.349%0.49430%0.297SS..THydrogen-bonded Turntrans-61.6-30.8-17526.6-35.6000112.3P180 R189P180-P182 WeakPolarHBondContact O-CD 3.32Å; P182-R189 PolarHBondContact O-NH1 3.09Å
183D84.5Confident83.5Confident117 Ų11757.8 Ų57.863%0.62632%0.315SS*.THydrogen-bonded Turntrans-83-18.3-178.4-68.3-65000115.1Y181 K186Y181-D183 PolarHBondContact O-N 3.4Å; D183-K186 VanDerWaalsContact CA-CE 3.44Å; D183-K186 WeakPolarHBondContact OD1-CE 3.01Å; D183-K186 IonicContact OD1-NZ 2.83Å; D183-K186 PolarHBondContact OD1-NZ 3.36Å
184W87.4Confident83.7Confident30 Ų3064.9 Ų64.911%0.11435%0.346CS..THydrogen-bonded Turntrans-77.3137.8178.9-176.884.2000111.4H11 P12 W13 M16 M175 L176 Y181 K186 R189H11-W184 AromaticContact CE1-CD1 3.9Å; P12-W184 HydrophobicContact CB-CD2 3.55Å; P12-W184 VanDerWaalsContact CB-CE2 3.5Å; P12-W184 HydrophobicContact CB-CE3 3.82Å; P12-W184 HydrophobicContact CB-CG 4.08Å; P12-W184 HydrophobicContact CB-CH2 4.01Å; P12-W184 HydrophobicContact CB-CZ2 3.75Å; P12-W184 HydrophobicContact CB-CZ3 4.05Å; P12-W184 HydrophobicContact CG-CD2 3.91Å; P12-W184 HydrophobicContact CG-CE3 4.05Å; P12-W184 HydrophobicContact CG-CG 4.12Å; W13-W184 AromaticContact CD1-NE1 3.76Å; W13-W184 AromaticContact CD2-NE1 3.6Å; W13-W184 AromaticContact CE2-NE1 3.31Å; W13-W184 VanDerWaalsContact CE2-NE1 3.31Å; W13-W184 AromaticContact CG-NE1 3.85Å; W13-W184 AromaticContact CZ2-NE1 3.78Å; W13-W184 AromaticContact NE1-CD1 3.74Å; W13-W184 AromaticContact NE1-NE1 3.38Å; M16-W184 HydrophobicContact SD-CH2 3.72Å; M16-W184 HydrophobicContact SD-CZ2 3.71Å; M175-W184 HydrophobicContact CB-CH2 4.03Å; M175-W184 HydrophobicContact CB-CZ3 3.85Å; L176-W184 HydrophobicContact CD2-CH2 4.28Å; L176-W184 HydrophobicContact CD2-CZ3 4.07Å; Y181-W184 PolarHBondContact O-N 3.05Å; W184-K186 VanDerWaalsContact C-N 3.28Å; W184-K186 PolarHBondContact O-N 3.12Å; W184-K186 VanDerWaalsContact O-N 3.1Å; W184-R189 VanDerWaalsContact O-CD 3.28Å; W184-R189 WeakPolarHBondContact O-CD 3.34Å
185G84.6Confident83.8Confident28 Ų2867 Ų6729%0.28937%0.372SS..THydrogen-bonded Turntrans61.421.2165.400000117S187 A188 R189G185-S187 PolarHBondContact O-N 3.06Å; G185-S187 VanDerWaalsContact O-N 3.11Å; G185-A188 PolarHBondContact O-N 3.38Å; G185-R189 WeakPolarHBondContact O-CG 3.29Å; G185-R189 PolarHBondContact O-N 3.19Å
186K88.3Confident83.8Confident119 Ų11971.8 Ų71.852%0.51740%0.398SS..Hα-helixtrans-41.1-54-169.4-63.6-174.8-175.2-178.60114.3D183 W184 R189 A190D183-K186 VanDerWaalsContact CA-CE 3.44Å; D183-K186 WeakPolarHBondContact OD1-CE 3.01Å; D183-K186 IonicContact OD1-NZ 2.83Å; D183-K186 PolarHBondContact OD1-NZ 3.36Å; W184-K186 VanDerWaalsContact C-N 3.28Å; W184-K186 PolarHBondContact O-N 3.12Å; W184-K186 VanDerWaalsContact O-N 3.1Å; K186-R189 PolarHBondContact O-N 2.97Å; K186-A190 WeakPolarHBondContact O-CB 3.44Å; K186-A190 PolarHBondContact O-N 3.32Å
187S88.7Confident83.9Confident103 Ų10373 Ų7372%0.7241%0.406SS*.Hα-helixtrans-66.6-42.6-179-45.10000113.2G185 R189 A190 F191G185-S187 PolarHBondContact O-N 3.06Å; G185-S187 VanDerWaalsContact O-N 3.11Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 3.09Å; S187-A190 PolarHBondContact O-N 3.38Å; S187-F191 PolarHBondContact O-N 2.95Å
188A88.1Confident84.2Confident50 Ų5072 Ų7241%0.41340%0.4SS..Hα-helixtrans-64.6-38.9176.800000111.5L176 G185 F191 W192L176-A188 HydrophobicContact CD2-CB 3.94Å; G185-A188 PolarHBondContact O-N 3.38Å; A188-F191 PolarHBondContact O-N 3.45Å; A188-W192 WeakPolarHBondContact O-CB 3.48Å; A188-W192 PolarHBondContact O-N 3.28Å
189R87.8Confident85Confident35 Ų3571.8 Ų71.813%0.13240%0.399CS..Hα-helixtrans-68.1-38.4176.5-68.7179.155.4-124-2.6112.5L176 D178 P182 W184 G185 K186 S187 K193L176-R189 HydrophobicContact CB-CG 4.43Å; L176-R189 HydrophobicContact CD2-CG 3.74Å; L176-R189 WeakPolarHBondContact O-CG 3.22Å; L176-R189 PolarHBondContact O-NE 3.31Å; D178-R189 PolarHBondContact O-NH2 3.3Å; P182-R189 PolarHBondContact O-NH1 3.09Å; W184-R189 VanDerWaalsContact O-CD 3.28Å; W184-R189 WeakPolarHBondContact O-CD 3.34Å; G185-R189 WeakPolarHBondContact O-CG 3.29Å; G185-R189 PolarHBondContact O-N 3.19Å; K186-R189 PolarHBondContact O-N 2.97Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 3.09Å; R189-K193 WeakPolarHBondContact O-CB 3.37Å; R189-K193 WeakPolarHBondContact O-CG 3.43Å; R189-K193 PolarHBondContact O-N 2.91Å
190A87.8Confident85.9Confident70 Ų7067.6 Ų67.658%0.57939%0.388SS*.Hα-helixtrans-65.4-39.6173.100000112.1K186 S187K186-A190 WeakPolarHBondContact O-CB 3.44Å; K186-A190 PolarHBondContact O-N 3.32Å; S187-A190 PolarHBondContact O-N 3.38Å
191F89.9Confident86.5Confident110 Ų11067.4 Ų67.448%0.48238%0.384SS..Hα-helixtrans-65.9-47.8173.5174.7-103.2000112.3S187 A188 K193 K194 V197 L201S187-F191 PolarHBondContact O-N 2.95Å; A188-F191 PolarHBondContact O-N 3.45Å; F191-K193 VanDerWaalsContact C-N 3.3Å; F191-K193 PolarHBondContact O-N 3.3Å; F191-K194 VanDerWaalsContact O-CB 3.24Å; F191-K194 WeakPolarHBondContact O-CB 3.46Å; F191-K194 PolarHBondContact O-N 3.07Å; F191-K194 VanDerWaalsContact O-N 3.09Å; F191-V197 HydrophobicContact CD1-CG1 4.12Å; F191-V197 HydrophobicContact CE1-CG1 3.61Å; F191-V197 HydrophobicContact CE2-CG1 4.15Å; F191-V197 HydrophobicContact CZ-CG1 3.63Å; F191-L201 HydrophobicContact CE1-CD1 3.82Å; F191-L201 HydrophobicContact CZ-CD1 4.28Å
192W88.8Confident86.9Confident18 Ų1867.7 Ų67.77%0.06839%0.385CS..Hα-helixtrans-59.6-39-177.9-159.6-109.7000113.4W169 D173 L176 A188 K194 R198 L201W169-W192 AromaticContact CE3-CH2 3.94Å; W169-W192 HydrophobicContact CE3-CH2 3.94Å; W169-W192 HydrophobicContact CE3-CZ2 4.09Å; W169-W192 AromaticContact CH2-CH2 3.52Å; W169-W192 HydrophobicContact CH2-CH2 3.52Å; W169-W192 HydrophobicContact CH2-CZ2 4.33Å; W169-W192 HydrophobicContact CH2-CZ3 4.29Å; W169-W192 HydrophobicContact CZ2-CH2 4.44Å; W169-W192 AromaticContact CZ3-CH2 3.21Å; W169-W192 HydrophobicContact CZ3-CH2 3.21Å; W169-W192 AromaticContact CZ3-CZ2 3.58Å; W169-W192 HydrophobicContact CZ3-CZ2 3.58Å; W169-W192 HydrophobicContact CZ3-CZ3 4.33Å; D173-W192 HydrophobicContact CB-CZ2 4.22Å; D173-W192 PolarHBondContact OD1-NE1 3.42Å; L176-W192 HydrophobicContact CB-CB 4.13Å; L176-W192 HydrophobicContact CB-CD2 4.27Å; L176-W192 HydrophobicContact CB-CG 3.77Å; L176-W192 HydrophobicContact CD1-CB 4.28Å; L176-W192 HydrophobicContact CD1-CD2 3.45Å; L176-W192 VanDerWaalsContact CD1-CD2 3.45Å; L176-W192 HydrophobicContact CD1-CE3 3.64Å; L176-W192 HydrophobicContact CD1-CG 3.79Å; L176-W192 HydrophobicContact CD1-CH2 4.11Å; L176-W192 HydrophobicContact CD1-CZ2 4.03Å; L176-W192 HydrophobicContact CD1-CZ3 3.96Å; L176-W192 HydrophobicContact CG-CD2 4.48Å; L176-W192 HydrophobicContact CG-CG 4.37Å; A188-W192 WeakPolarHBondContact O-CB 3.48Å; A188-W192 PolarHBondContact O-N 3.28Å; W192-K194 VanDerWaalsContact C-N 3.27Å; W192-K194 PolarHBondContact O-N 3.12Å; W192-R198 HydrophobicContact CD2-CB 4.47Å; W192-R198 HydrophobicContact CZ2-CG 4.45Å; W192-L201 HydrophobicContact CZ3-CD1 4.27Å; W192-L201 HydrophobicContact CZ3-CD2 4.45Å
193K83.8Confident87.4Confident106 Ų10668.6 Ų68.646%0.46138%0.379SS..THydrogen-bonded Turntrans-82.42.1-179.6-65.8176.6178.1-176.50113.5L176 Q177 R189 F191 G195L176-K193 VanDerWaalsContact O-CE 3.29Å; L176-K193 WeakPolarHBondContact O-CE 3.33Å; Q177-K193 WeakPolarHBondContact O-CE 3.24Å; Q177-K193 PolarHBondContact O-NZ 3.07Å; R189-K193 WeakPolarHBondContact O-CB 3.37Å; R189-K193 WeakPolarHBondContact O-CG 3.43Å; R189-K193 PolarHBondContact O-N 2.91Å; F191-K193 VanDerWaalsContact C-N 3.3Å; F191-K193 PolarHBondContact O-N 3.3Å; K193-G195 PolarHBondContact O-N 3.45Å; K193-G195 VanDerWaalsContact O-N 3.14Å
194K88.3Confident87.8Confident152 Ų15266.8 Ų66.866%0.66137%0.372SS*.SBendtrans-81.591.4-178.1-168.6179.4-179.7-178.50111.2F191 W192 N196 V197F191-K194 VanDerWaalsContact O-CB 3.24Å; F191-K194 WeakPolarHBondContact O-CB 3.46Å; F191-K194 PolarHBondContact O-N 3.07Å; F191-K194 VanDerWaalsContact O-N 3.09Å; W192-K194 VanDerWaalsContact C-N 3.27Å; W192-K194 PolarHBondContact O-N 3.12Å; K194-N196 PolarHBondContact O-N 2.91Å; K194-V197 WeakPolarHBondContact O-CB 3.26Å; K194-V197 WeakPolarHBondContact O-CG2 3.45Å; K194-V197 PolarHBondContact O-N 2.88Å
195G84.4Confident88Confident63 Ų6367 Ų6765%0.64938%0.377SS*.THydrogen-bonded Turntrans59.1-133177.200000112K193 V197K193-G195 PolarHBondContact O-N 3.45Å; K193-G195 VanDerWaalsContact O-N 3.14Å; G195-V197 VanDerWaalsContact C-N 3.32Å; G195-V197 PolarHBondContact O-N 2.86Å
196N85.8Confident88.3Confident102 Ų10266.4 Ų66.455%0.54537%0.367SS..THydrogen-bonded Turntrans-854.2-174.7-66.6-3.7000114.6K194 R198 I199 T200K194-N196 PolarHBondContact O-N 2.91Å; N196-R198 VanDerWaalsContact C-N 3.32Å; N196-R198 PolarHBondContact O-N 3.45Å; N196-I199 PolarHBondContact O-N 3.48Å; N196-T200 PolarHBondContact O-N 3.34Å; N196-T200 VanDerWaalsContact O-N 3.08Å; N196-T200 PolarHBondContact O-OG1 2.96Å
197V87.4Confident88.5Confident39 Ų3966.7 Ų66.724%0.23637%0.368CS..Hα-helixtrans-48.7-49.6-175.8166.30000112.2F191 K194 G195 I199 T200 L201F191-V197 HydrophobicContact CD1-CG1 4.12Å; F191-V197 HydrophobicContact CE1-CG1 3.61Å; F191-V197 HydrophobicContact CE2-CG1 4.15Å; F191-V197 HydrophobicContact CZ-CG1 3.63Å; K194-V197 WeakPolarHBondContact O-CB 3.26Å; K194-V197 WeakPolarHBondContact O-CG2 3.45Å; K194-V197 PolarHBondContact O-N 2.88Å; G195-V197 VanDerWaalsContact C-N 3.32Å; G195-V197 PolarHBondContact O-N 2.86Å; V197-I199 VanDerWaalsContact C-N 3.28Å; V197-I199 PolarHBondContact O-N 3.35Å; V197-T200 PolarHBondContact O-N 3.03Å; V197-L201 HydrophobicContact CG1-CD1 4.35Å; V197-L201 VanDerWaalsContact O-CB 3.23Å; V197-L201 WeakPolarHBondContact O-CB 3.49Å; V197-L201 PolarHBondContact O-N 2.86Å
198R85.8Confident88.7Confident23 Ų2365.4 Ų65.49%0.08736%0.356CS..Hα-helixtrans-45.9-47.7174.7170.7-177.3176.9-107.4-2.5113.6D173 Q177 W192 N196 F202 N270 L271 L274D173-R198 VanDerWaalsContact CG-NE 3.32Å; D173-R198 WeakPolarHBondContact OD1-CD 3.46Å; D173-R198 IonicContact OD1-CZ 2.76Å; D173-R198 IonicContact OD1-NE 2.73Å; D173-R198 PolarHBondContact OD1-NE 2.9Å; D173-R198 IonicContact OD1-NH2 2.62Å; D173-R198 IonicContact OD2-CZ 3.68Å; D173-R198 VanDerWaalsContact OD2-CZ 3.31Å; D173-R198 IonicContact OD2-NE 2.73Å; D173-R198 PolarHBondContact OD2-NE 2.91Å; D173-R198 IonicContact OD2-NH2 3.93Å; D173-R198 PolarHBondContact OD2-NH2 2.68Å; Q177-R198 VanDerWaalsContact NE2-NE 3.18Å; W192-R198 HydrophobicContact CD2-CB 4.47Å; W192-R198 HydrophobicContact CZ2-CG 4.45Å; N196-R198 VanDerWaalsContact C-N 3.32Å; N196-R198 PolarHBondContact O-N 3.45Å; R198-F202 WeakPolarHBondContact O-CB 3.35Å; R198-F202 PolarHBondContact O-N 3.28Å; R198-N270 PolarHBondContact NH2-O 2.98Å; R198-L271 PolarHBondContact NH2-O 2.71Å; R198-L274 PolarHBondContact NH1-O 3.39Å; R198-L274 VanDerWaalsContact NH1-O 3.11Å
199I86.4Confident88.9Confident25 Ų2566.6 Ų66.613%0.12836%0.355CS..Hα-helixtrans-79.8-43.4-172.5-68.2172.5000110.6N196 V197 F202 W203 H275N196-I199 PolarHBondContact O-N 3.48Å; V197-I199 VanDerWaalsContact C-N 3.28Å; V197-I199 PolarHBondContact O-N 3.35Å; I199-F202 PolarHBondContact O-N 3.23Å; I199-W203 VanDerWaalsContact O-CD1 3.25Å; I199-W203 PolarHBondContact O-N 3.4Å; I199-W203 VanDerWaalsContact O-N 3.13Å; I199-H275 VanDerWaalsContact CD1-CE1 3.48Å; I199-H275 WeakPolarHBondContact CD1-CE1 3.4Å; I199-H275 WeakPolarHBondContact CD1-NE2 3.46Å
200T88.1Confident89.1Confident88 Ų8865.8 Ų65.854%0.5435%0.354SS..Hα-helixtrans-59.4-47.9174.1-54.90000110.8N196 V197 F202 W203 T204N196-T200 PolarHBondContact O-N 3.34Å; N196-T200 VanDerWaalsContact O-N 3.08Å; N196-T200 PolarHBondContact O-OG1 2.96Å; V197-T200 PolarHBondContact O-N 3.03Å; T200-F202 PolarHBondContact O-N 2.71Å; T200-W203 PolarHBondContact O-N 2.91Å; T200-T204 VanDerWaalsContact O-CB 3.31Å; T200-T204 WeakPolarHBondContact O-CB 3.48Å; T200-T204 PolarHBondContact O-N 3.47Å; T200-T204 PolarHBondContact O-OG1 3.11Å
201L90Very high89.3Confident56 Ų5666.2 Ų66.229%0.29335%0.353SS..Hα-helixtrans-65.6-39.9-178.4-144.7159.6000111.1W169 F191 W192 V197 V205W169-L201 VanDerWaalsContact CH2-C 3.49Å; W169-L201 HydrophobicContact CH2-CB 4.22Å; W169-L201 HydrophobicContact CH2-CD2 3.49Å; W169-L201 VanDerWaalsContact CH2-CD2 3.49Å; W169-L201 HydrophobicContact CH2-CG 4.45Å; W169-L201 HydrophobicContact CZ2-CD2 3.77Å; F191-L201 HydrophobicContact CE1-CD1 3.82Å; F191-L201 HydrophobicContact CZ-CD1 4.28Å; W192-L201 HydrophobicContact CZ3-CD1 4.27Å; W192-L201 HydrophobicContact CZ3-CD2 4.45Å; V197-L201 HydrophobicContact CG1-CD1 4.35Å; V197-L201 VanDerWaalsContact O-CB 3.23Å; V197-L201 WeakPolarHBondContact O-CB 3.49Å; V197-L201 PolarHBondContact O-N 2.86Å; L201-V205 HydrophobicContact CD2-CG2 3.6Å; L201-V205 VanDerWaalsContact O-CB 3.29Å; L201-V205 WeakPolarHBondContact O-CB 3.5Å; L201-V205 WeakPolarHBondContact O-CG2 3.3Å; L201-V205 PolarHBondContact O-N 2.88Å
202F88.9Confident89.3Confident11 Ų1165 Ų655%0.04835%0.354CS..Hα-helixtrans-55.7-57.6173.5179.5-88.9000111.9W169 R198 I199 T200 V205 L206 P272W169-F202 HydrophobicContact CB-CE2 4.31Å; W169-F202 HydrophobicContact CD2-CD2 4.13Å; W169-F202 HydrophobicContact CE3-CB 4.21Å; W169-F202 AromaticContact CE3-CD2 3.54Å; W169-F202 HydrophobicContact CE3-CD2 3.54Å; W169-F202 HydrophobicContact CE3-CE2 4.4Å; W169-F202 HydrophobicContact CE3-CG 4.33Å; W169-F202 VanDerWaalsContact CH2-CA 3.44Å; W169-F202 HydrophobicContact CH2-CB 4.23Å; W169-F202 VanDerWaalsContact CZ3-CA 3.41Å; W169-F202 HydrophobicContact CZ3-CB 3.67Å; W169-F202 AromaticContact CZ3-CD2 3.92Å; W169-F202 HydrophobicContact CZ3-CD2 3.92Å; W169-F202 HydrophobicContact CZ3-CG 4.28Å; R198-F202 WeakPolarHBondContact O-CB 3.35Å; R198-F202 PolarHBondContact O-N 3.28Å; I199-F202 PolarHBondContact O-N 3.23Å; T200-F202 PolarHBondContact O-N 2.71Å; F202-V205 PolarHBondContact O-N 2.89Å; F202-L206 HydrophobicContact CE1-CD2 3.81Å; F202-L206 HydrophobicContact CZ-CD2 4.21Å; F202-L206 WeakPolarHBondContact O-CB 3.48Å; F202-L206 PolarHBondContact O-N 3.11Å; F202-P272 HydrophobicContact CD2-CB 4.07Å; F202-P272 HydrophobicContact CE2-CB 3.51Å; F202-P272 HydrophobicContact CZ-CB 3.92Å
203W90.4Very high89.3Confident95 Ų9565 Ų6536%0.3636%0.356SS..Hα-helixtrans-68.4-41.2-176-71.3109.7000112.3I199 T200 L206 F207 G273I199-W203 VanDerWaalsContact O-CD1 3.25Å; I199-W203 PolarHBondContact O-N 3.4Å; I199-W203 VanDerWaalsContact O-N 3.13Å; T200-W203 PolarHBondContact O-N 2.91Å; W203-L206 HydrophobicContact CE3-CD2 3.79Å; W203-L206 HydrophobicContact CZ3-CD2 3.69Å; W203-L206 PolarHBondContact O-N 3.32Å; W203-F207 HydrophobicContact CB-CD2 4.35Å; W203-F207 HydrophobicContact CB-CE2 4.26Å; W203-F207 HydrophobicContact CD2-CE2 4.34Å; W203-F207 HydrophobicContact CE3-CD2 4.35Å; W203-F207 AromaticContact CE3-CE2 3.56Å; W203-F207 HydrophobicContact CE3-CE2 3.56Å; W203-F207 AromaticContact CE3-CZ 3.77Å; W203-F207 HydrophobicContact CE3-CZ 3.77Å; W203-F207 HydrophobicContact CZ3-CE2 4.33Å; W203-F207 HydrophobicContact CZ3-CZ 4.07Å; W203-F207 WeakPolarHBondContact O-CB 3.4Å; W203-F207 WeakPolarHBondContact O-CD2 3.49Å; W203-F207 PolarHBondContact O-N 3.5Å; W203-G273 PolarHBondContact NE1-O 3.45Å
204T92.4Very high89.6Confident80 Ų8062.3 Ų62.349%0.49135%0.349SS..Hα-helixtrans-62.1-45.2177.4-62.10000111.8T200 T208T200-T204 VanDerWaalsContact O-CB 3.31Å; T200-T204 WeakPolarHBondContact O-CB 3.48Å; T200-T204 PolarHBondContact O-N 3.47Å; T200-T204 PolarHBondContact O-OG1 3.11Å; T204-T208 HydrophobicContact CG2-CG2 4.5Å; T204-T208 WeakPolarHBondContact O-CB 3.29Å; T204-T208 VanDerWaalsContact O-CG2 3.29Å; T204-T208 WeakPolarHBondContact O-CG2 3.31Å; T204-T208 PolarHBondContact O-N 3.29Å; T204-T208 PolarHBondContact O-OG1 3.15Å
205V92.6Very high89.6Confident35 Ų3559.2 Ų59.221%0.21234%0.339CS..Hα-helixtrans-73-38179.5174.70000111.6F165 W169 L201 F202 T208 L209F165-V205 HydrophobicContact CE2-CG1 4Å; F165-V205 HydrophobicContact CZ-CG1 4.1Å; W169-V205 HydrophobicContact CZ2-CB 3.71Å; W169-V205 HydrophobicContact CZ2-CG1 3.84Å; W169-V205 HydrophobicContact CZ2-CG2 4.09Å; L201-V205 HydrophobicContact CD2-CG2 3.6Å; L201-V205 VanDerWaalsContact O-CB 3.29Å; L201-V205 WeakPolarHBondContact O-CB 3.5Å; L201-V205 WeakPolarHBondContact O-CG2 3.3Å; L201-V205 PolarHBondContact O-N 2.88Å; F202-V205 PolarHBondContact O-N 2.89Å; V205-T208 WeakPolarHBondContact CA-OG1 3.2Å; V205-T208 PolarHBondContact O-OG1 3.46Å; V205-L209 HydrophobicContact CG1-CD1 3.55Å; V205-L209 HydrophobicContact CG1-CG 4Å; V205-L209 WeakPolarHBondContact O-CB 3.48Å; V205-L209 PolarHBondContact O-N 3.48Å
206L90.7Very high89.6Confident14 Ų1457.9 Ų57.97%0.07332%0.318CS..Hα-helixtrans-58-53.4174.4173.160.7000111.2M162 F165 F202 W203 T210M162-L206 HydrophobicContact CE-CD1 4.23Å; M162-L206 HydrophobicContact SD-CD1 3.83Å; F165-L206 HydrophobicContact CD1-CD1 3.52Å; F165-L206 HydrophobicContact CE1-CB 3.67Å; F165-L206 HydrophobicContact CE1-CD1 3.48Å; F165-L206 VanDerWaalsContact CE1-CD1 3.48Å; F165-L206 HydrophobicContact CE1-CG 4.11Å; F165-L206 HydrophobicContact CG-CD1 4.41Å; F165-L206 HydrophobicContact CZ-CB 3.93Å; F165-L206 HydrophobicContact CZ-CD1 4.31Å; F202-L206 HydrophobicContact CE1-CD2 3.81Å; F202-L206 HydrophobicContact CZ-CD2 4.21Å; F202-L206 WeakPolarHBondContact O-CB 3.48Å; F202-L206 PolarHBondContact O-N 3.11Å; W203-L206 HydrophobicContact CE3-CD2 3.79Å; W203-L206 HydrophobicContact CZ3-CD2 3.69Å; W203-L206 PolarHBondContact O-N 3.32Å; L206-T210 WeakPolarHBondContact O-CB 3.21Å; L206-T210 PolarHBondContact O-N 3.21Å; L206-T210 PolarHBondContact O-OG1 3.44Å
207F92.4Very high89.5Confident126 Ų12653.1 Ų53.155%0.55329%0.292SS*.Hα-helixtrans-67.9-41-178.2-72.3-56.2000112.5W203 S211W203-F207 HydrophobicContact CB-CD2 4.35Å; W203-F207 HydrophobicContact CB-CE2 4.26Å; W203-F207 HydrophobicContact CD2-CE2 4.34Å; W203-F207 HydrophobicContact CE3-CD2 4.35Å; W203-F207 AromaticContact CE3-CE2 3.56Å; W203-F207 HydrophobicContact CE3-CE2 3.56Å; W203-F207 AromaticContact CE3-CZ 3.77Å; W203-F207 HydrophobicContact CE3-CZ 3.77Å; W203-F207 HydrophobicContact CZ3-CE2 4.33Å; W203-F207 HydrophobicContact CZ3-CZ 4.07Å; W203-F207 WeakPolarHBondContact O-CB 3.4Å; W203-F207 WeakPolarHBondContact O-CD2 3.49Å; W203-F207 PolarHBondContact O-N 3.5Å; F207-S211 VanDerWaalsContact O-CB 3.26Å; F207-S211 WeakPolarHBondContact O-CB 3.42Å; F207-S211 PolarHBondContact O-N 3.15Å; F207-S211 PolarHBondContact O-OG 3.27Å
208T93.8Very high89.1Confident75 Ų7555 Ų5546%0.4630%0.304SS..Hα-helixtrans-68.9-51.9-179.751.20000112.3T204 V205 T210 S211 V212T204-T208 HydrophobicContact CG2-CG2 4.5Å; T204-T208 WeakPolarHBondContact O-CB 3.29Å; T204-T208 VanDerWaalsContact O-CG2 3.29Å; T204-T208 WeakPolarHBondContact O-CG2 3.31Å; T204-T208 PolarHBondContact O-N 3.29Å; T204-T208 PolarHBondContact O-OG1 3.15Å; V205-T208 WeakPolarHBondContact CA-OG1 3.2Å; V205-T208 PolarHBondContact O-OG1 3.46Å; T208-T210 PolarHBondContact O-N 2.82Å; T208-S211 PolarHBondContact O-N 2.9Å; T208-V212 WeakPolarHBondContact O-CG2 3.48Å; T208-V212 PolarHBondContact O-N 2.95Å
209L92Very high88.5Confident75 Ų7557.5 Ų57.539%0.39332%0.322SS..Hα-helixtrans-67.4-38.1-179.8-66.3-176.9000112.2W161 F165 V205 S211 V212 V213W161-L209 HydrophobicContact CH2-CB 4Å; W161-L209 HydrophobicContact CH2-CD1 4.34Å; W161-L209 HydrophobicContact CZ2-CB 3.69Å; F165-L209 HydrophobicContact CE2-CD1 4.19Å; V205-L209 HydrophobicContact CG1-CD1 3.55Å; V205-L209 HydrophobicContact CG1-CG 4Å; V205-L209 WeakPolarHBondContact O-CB 3.48Å; V205-L209 PolarHBondContact O-N 3.48Å; L209-S211 VanDerWaalsContact C-N 3.35Å; L209-S211 PolarHBondContact O-N 3.34Å; L209-V212 PolarHBondContact O-N 2.77Å; L209-V213 WeakPolarHBondContact O-CB 3.31Å; L209-V213 WeakPolarHBondContact O-CG2 3.38Å; L209-V213 PolarHBondContact O-N 2.92Å
210T92.4Very high87.4Confident18 Ų1860.3 Ų60.311%0.1134%0.337CS..Hα-helixtrans-65.2-38.3174.5-57.10000111.8W161 M162 L206 T208 V212 V213 V214W161-T210 PolarHBondContact NE1-OG1 2.93Å; W161-T210 VanDerWaalsContact NE1-OG1 3.09Å; M162-T210 HydrophobicContact CE-CG2 3.7Å; L206-T210 WeakPolarHBondContact O-CB 3.21Å; L206-T210 PolarHBondContact O-N 3.21Å; L206-T210 PolarHBondContact O-OG1 3.44Å; T208-T210 PolarHBondContact O-N 2.82Å; T210-V212 VanDerWaalsContact C-N 3.33Å; T210-V212 PolarHBondContact O-N 3.29Å; T210-V213 PolarHBondContact O-N 2.59Å; T210-V214 HydrophobicContact CG2-CG2 3.94Å; T210-V214 VanDerWaalsContact O-CB 3.28Å; T210-V214 WeakPolarHBondContact O-CB 3.33Å; T210-V214 VanDerWaalsContact O-CG2 3.23Å; T210-V214 WeakPolarHBondContact O-CG2 3.36Å; T210-V214 PolarHBondContact O-N 2.81Å
211S90.9Very high85.9Confident79 Ų7966.4 Ų66.455%0.55235%0.351SS*.Hα-helixtrans-62.1-41.4174.8-60.60000111.8F207 T208 L209 L215F207-S211 VanDerWaalsContact O-CB 3.26Å; F207-S211 WeakPolarHBondContact O-CB 3.42Å; F207-S211 PolarHBondContact O-N 3.15Å; F207-S211 PolarHBondContact O-OG 3.27Å; T208-S211 PolarHBondContact O-N 2.9Å; L209-S211 VanDerWaalsContact C-N 3.35Å; L209-S211 PolarHBondContact O-N 3.34Å; S211-L215 VanDerWaalsContact O-CB 3.23Å; S211-L215 WeakPolarHBondContact O-CB 3.25Å; S211-L215 PolarHBondContact O-N 3.16Å
212V90.7Very high84.5Confident86 Ų8667.1 Ų67.152%0.52135%0.354SS..Hα-helixtrans-64.6-49.1175.2172.30000111.3T208 L209 T210 L215 V216T208-V212 WeakPolarHBondContact O-CG2 3.48Å; T208-V212 PolarHBondContact O-N 2.95Å; L209-V212 PolarHBondContact O-N 2.77Å; T210-V212 VanDerWaalsContact C-N 3.33Å; T210-V212 PolarHBondContact O-N 3.29Å; V212-L215 PolarHBondContact O-N 3.02Å; V212-V216 HydrophobicContact CG1-CG2 4.43Å; V212-V216 WeakPolarHBondContact O-CB 3.48Å; V212-V216 VanDerWaalsContact O-CG2 3.31Å; V212-V216 WeakPolarHBondContact O-CG2 3.48Å; V212-V216 PolarHBondContact O-N 3.43Å
213V89.2Confident83.2Confident18 Ų1868.5 Ų68.511%0.10937%0.365CS..Hα-helixtrans-64.3-44.9-178.6168.60000111.6F27 W161 L209 T210 L215 V216 I217F27-V213 HydrophobicContact CE1-CG1 3.94Å; F27-V213 HydrophobicContact CZ-CB 4.44Å; F27-V213 HydrophobicContact CZ-CG1 3.72Å; F27-V213 HydrophobicContact CZ-CG2 3.8Å; W161-V213 HydrophobicContact CB-CG1 4.07Å; W161-V213 HydrophobicContact CD2-CB 4.16Å; W161-V213 HydrophobicContact CD2-CG1 3.9Å; W161-V213 HydrophobicContact CD2-CG2 3.88Å; W161-V213 HydrophobicContact CE3-CG2 4.06Å; W161-V213 HydrophobicContact CG-CB 4.27Å; W161-V213 HydrophobicContact CG-CG1 3.63Å; W161-V213 HydrophobicContact CG-CG2 4.48Å; W161-V213 HydrophobicContact CH2-CG2 4.12Å; W161-V213 HydrophobicContact CZ2-CG2 3.98Å; W161-V213 HydrophobicContact CZ3-CG2 4.16Å; L209-V213 WeakPolarHBondContact O-CB 3.31Å; L209-V213 WeakPolarHBondContact O-CG2 3.38Å; L209-V213 PolarHBondContact O-N 2.92Å; T210-V213 PolarHBondContact O-N 2.59Å; V213-L215 PolarHBondContact O-N 2.87Å; V213-V216 PolarHBondContact O-N 3.22Å; V213-I217 HydrophobicContact CG1-CD1 3.59Å; V213-I217 HydrophobicContact CG1-CG1 4.35Å; V213-I217 WeakPolarHBondContact O-CB 3.45Å; V213-I217 WeakPolarHBondContact O-CG1 3.34Å; V213-I217 PolarHBondContact O-N 3.47Å
214V89.1Confident81.9Confident49 Ų4966.4 Ų66.430%0.29736%0.357SS..Hα-helixtrans-61-44.6175.5170.90000110.5V158 T210 V216 I217 T218V158-V214 HydrophobicContact CG1-CG2 3.82Å; V158-V214 HydrophobicContact CG2-CG2 4.04Å; T210-V214 HydrophobicContact CG2-CG2 3.94Å; T210-V214 VanDerWaalsContact O-CB 3.28Å; T210-V214 WeakPolarHBondContact O-CB 3.33Å; T210-V214 VanDerWaalsContact O-CG2 3.23Å; T210-V214 WeakPolarHBondContact O-CG2 3.36Å; T210-V214 PolarHBondContact O-N 2.81Å; V214-V216 PolarHBondContact O-N 3.41Å; V214-I217 PolarHBondContact O-N 3.07Å; V214-T218 HydrophobicContact CG1-CG2 4.09Å; V214-T218 VanDerWaalsContact O-CB 3.3Å; V214-T218 WeakPolarHBondContact O-CB 3.41Å; V214-T218 VanDerWaalsContact O-CG2 3.29Å; V214-T218 WeakPolarHBondContact O-CG2 3.44Å; V214-T218 PolarHBondContact O-N 3.09Å; V214-T218 PolarHBondContact O-OG1 2.87Å
215L87.6Confident80.5Confident87 Ų8763.3 Ų63.346%0.45534%0.337SS..Hα-helixtrans-60.2-47.1177.1-173.5157.4000111.2S211 V212 V213 I217 T218 T219 W221S211-L215 VanDerWaalsContact O-CB 3.23Å; S211-L215 WeakPolarHBondContact O-CB 3.25Å; S211-L215 PolarHBondContact O-N 3.16Å; V212-L215 PolarHBondContact O-N 3.02Å; V213-L215 PolarHBondContact O-N 2.87Å; L215-I217 PolarHBondContact O-N 3.31Å; L215-T218 PolarHBondContact O-N 3.37Å; L215-T219 VanDerWaalsContact O-CB 3.27Å; L215-T219 WeakPolarHBondContact O-CB 3.46Å; L215-T219 PolarHBondContact O-N 3.09Å; L215-T219 PolarHBondContact O-OG1 2.99Å; L215-W221 HydrophobicContact CD2-CE3 4.42Å
216V84.8Confident79.2Confident34 Ų3468.9 Ų68.921%0.20636%0.359CS..Hα-helixtrans-63.3-41.5179.2170.40000112.2V212 V213 V214 I222 W224V212-V216 HydrophobicContact CG1-CG2 4.43Å; V212-V216 WeakPolarHBondContact O-CB 3.48Å; V212-V216 VanDerWaalsContact O-CG2 3.31Å; V212-V216 WeakPolarHBondContact O-CG2 3.48Å; V212-V216 PolarHBondContact O-N 3.43Å; V213-V216 PolarHBondContact O-N 3.22Å; V214-V216 PolarHBondContact O-N 3.41Å; V216-I222 HydrophobicContact CG1-CD1 4.18Å; V216-I222 HydrophobicContact CG2-CD1 4.38Å; V216-W224 HydrophobicContact CG1-CH2 4.07Å; V216-W224 HydrophobicContact CG1-CZ2 3.53Å
217I83.4Confident77.9Confident3 Ų373.4 Ų73.42%0.01538%0.383CS..Hα-helixtrans-72.6-36179.1-67.9171.3000112.2F27 F30 K154 A157 V158 V213 V214 L215F27-I217 HydrophobicContact CE1-CD1 4.38Å; F30-I217 HydrophobicContact CE1-CG1 4.23Å; F30-I217 HydrophobicContact CE1-CG2 4.41Å; F30-I217 HydrophobicContact CZ-CG2 4.1Å; K154-I217 HydrophobicContact CB-CG2 3.92Å; K154-I217 WeakPolarHBondContact CE-O 3.39Å; K154-I217 HydrophobicContact CG-CG2 3.91Å; A157-I217 HydrophobicContact CB-CD1 4Å; V158-I217 HydrophobicContact CG2-CB 4.4Å; V158-I217 HydrophobicContact CG2-CD1 3.9Å; V158-I217 HydrophobicContact CG2-CG2 4.17Å; V213-I217 HydrophobicContact CG1-CD1 3.59Å; V213-I217 HydrophobicContact CG1-CG1 4.35Å; V213-I217 WeakPolarHBondContact O-CB 3.45Å; V213-I217 WeakPolarHBondContact O-CG1 3.34Å; V213-I217 PolarHBondContact O-N 3.47Å; V214-I217 PolarHBondContact O-N 3.07Å; L215-I217 PolarHBondContact O-N 3.31Å
218T79.8Confident76.5Confident77 Ų7768.8 Ų68.847%0.47236%0.363SS..Hα-helixtrans-91.7-28.9-17156.70000115V214 L215 D220V214-T218 HydrophobicContact CG1-CG2 4.09Å; V214-T218 VanDerWaalsContact O-CB 3.3Å; V214-T218 WeakPolarHBondContact O-CB 3.41Å; V214-T218 VanDerWaalsContact O-CG2 3.29Å; V214-T218 WeakPolarHBondContact O-CG2 3.44Å; V214-T218 PolarHBondContact O-N 3.09Å; V214-T218 PolarHBondContact O-OG1 2.87Å; L215-T218 PolarHBondContact O-N 3.37Å; T218-D220 PolarHBondContact O-N 2.79Å
219T72.1Confident75Confident76 Ų7675.2 Ų75.247%0.46638%0.379SS..SBendtrans-84-9.5-170.4-42.90000113.2L215 W221L215-T219 VanDerWaalsContact O-CB 3.27Å; L215-T219 WeakPolarHBondContact O-CB 3.46Å; L215-T219 PolarHBondContact O-N 3.09Å; L215-T219 PolarHBondContact O-OG1 2.99Å; T219-W221 HydrophobicContact CG2-CB 4.03Å; T219-W221 PolarHBondContact O-N 2.96Å
220D64.9Low73.6Confident85 Ų8572.7 Ų72.746%0.45537%0.372SS..  trans548.7-171.9-66.5-56000115.3K154 T218 I222K154-D220 WeakPolarHBondContact CE-OD1 3.33Å; K154-D220 IonicContact NZ-OD1 2.71Å; K154-D220 PolarHBondContact NZ-OD1 3.49Å; K154-D220 IonicContact NZ-OD2 3.99Å; K154-D220 PolarHBondContact NZ-OD2 3.22Å; T218-D220 PolarHBondContact O-N 2.79Å; D220-I222 VanDerWaalsContact C-N 3.27Å; D220-I222 PolarHBondContact O-N 3.09Å
221W56.2Low71.9Confident216 Ų21680.7 Ų80.782%0.81841%0.405SS*.  trans-67.5-32.1-172-156.418000111.6L215 T219L215-W221 HydrophobicContact CD2-CE3 4.42Å; T219-W221 HydrophobicContact CG2-CB 4.03Å; T219-W221 PolarHBondContact O-N 2.96Å
222I59.6Low70.3Confident71 Ų7181.3 Ų81.336%0.36440%0.402SS..SBendtrans-99.897163.3-61.8178.6000107V216 D220 W224 L227V216-I222 HydrophobicContact CG1-CD1 4.18Å; V216-I222 HydrophobicContact CG2-CD1 4.38Å; D220-I222 VanDerWaalsContact C-N 3.27Å; D220-I222 PolarHBondContact O-N 3.09Å; I222-W224 HydrophobicContact CG2-CD2 4.49Å; I222-W224 PolarHBondContact O-N 3.41Å; I222-L227 HydrophobicContact CG2-CB 4.24Å; I222-L227 HydrophobicContact CG2-CD2 3.8Å; I222-L227 HydrophobicContact CG2-CG 4.46Å
223S62.3Low69.1Low40 Ų4079.4 Ų79.428%0.2839%0.391SS..  trans-71.896.5167.857.50000108.8D225 K226 L227S223-D225 PolarHBondContact O-N 2.85Å; S223-D225 VanDerWaalsContact O-N 3.14Å; S223-K226 PolarHBondContact O-N 2.89Å; S223-K226 WeakPolarHBondContact OG-CB 3.39Å; S223-K226 VanDerWaalsContact OG-CD 3.29Å; S223-K226 WeakPolarHBondContact OG-CD 3.39Å; S223-K226 WeakPolarHBondContact OG-CG 3.47Å; S223-L227 PolarHBondContact O-N 3.32Å; S223-L227 VanDerWaalsContact O-N 3.14Å
224W62.7Low68.7Low51 Ų5179 Ų7919%0.19339%0.389CS..Hα-helixtrans-46.5-42.6-173.7-67.6101000114.1F27 F30 A31 V216 I222 K226 L227 N228F27-W224 HydrophobicContact CD1-CH2 4.42Å; F30-W224 AromaticContact CE1-NE1 3.78Å; A31-W224 HydrophobicContact CB-CB 4.08Å; A31-W224 HydrophobicContact CB-CD2 4.09Å; A31-W224 HydrophobicContact CB-CE3 3.72Å; A31-W224 HydrophobicContact CB-CG 4.28Å; A31-W224 HydrophobicContact CB-CZ3 4.42Å; V216-W224 HydrophobicContact CG1-CH2 4.07Å; V216-W224 HydrophobicContact CG1-CZ2 3.53Å; I222-W224 HydrophobicContact CG2-CD2 4.49Å; I222-W224 PolarHBondContact O-N 3.41Å; W224-K226 PolarHBondContact O-N 2.91Å; W224-L227 HydrophobicContact CE3-CD2 4.19Å; W224-L227 HydrophobicContact CZ3-CD2 4.35Å; W224-L227 WeakPolarHBondContact O-CA 3.38Å; W224-L227 WeakPolarHBondContact O-CB 3.46Å; W224-L227 PolarHBondContact O-N 3.21Å; W224-N228 PolarHBondContact O-N 3.4Å
225D64.5Low68.6Low15 Ų1578.6 Ų78.68%0.0839%0.385CS..Hα-helixtrans-54.8-47175.3-17166.1000113.2S223 L227 N228 R229 L381 H382S223-D225 PolarHBondContact O-N 2.85Å; S223-D225 VanDerWaalsContact O-N 3.14Å; D225-L227 VanDerWaalsContact C-N 3.3Å; D225-L227 PolarHBondContact O-N 3.27Å; D225-N228 PolarHBondContact O-N 3.39Å; D225-R229 PolarHBondContact O-N 3.44Å; D225-R229 VanDerWaalsContact O-N 3.11Å; D225-L381 HydrophobicContact CB-CD2 4.45Å; D225-H382 PolarHBondContact O-CD2 3.5Å; D225-H382 VanDerWaalsContact O-CD2 3.3Å; D225-H382 WeakPolarHBondContact OD1-CB 3.26Å; D225-H382 IonicContact OD1-CD2 3.16Å; D225-H382 IonicContact OD1-CG 2.77Å; D225-H382 PolarHBondContact OD1-N 3.47Å; D225-H382 IonicContact OD2-CD2 2.68Å; D225-H382 PolarHBondContact OD2-CD2 3.03Å; D225-H382 VanDerWaalsContact OD2-CD2 3.29Å; D225-H382 PolarHBondContact OD2-N 3.35Å
226K63.9Low68.6Low151 Ų15174.4 Ų74.466%0.65736%0.364SS*.Hα-helixtrans-74.3-18.1175.2-52.6-173.9-164.4167.60113.6S223 W224 R229S223-K226 PolarHBondContact O-N 2.89Å; S223-K226 WeakPolarHBondContact OG-CB 3.39Å; S223-K226 VanDerWaalsContact OG-CD 3.29Å; S223-K226 WeakPolarHBondContact OG-CD 3.39Å; S223-K226 WeakPolarHBondContact OG-CG 3.47Å; W224-K226 PolarHBondContact O-N 2.91Å; K226-R229 WeakPolarHBondContact O-CG 3.38Å
227L63.4Low68.9Low110 Ų11074 Ų7458%0.57636%0.361SS*.Hα-helixtrans-77.4-42.3172.7-172.871.9000110.3I222 S223 W224 D225 R229I222-L227 HydrophobicContact CG2-CB 4.24Å; I222-L227 HydrophobicContact CG2-CD2 3.8Å; I222-L227 HydrophobicContact CG2-CG 4.46Å; S223-L227 PolarHBondContact O-N 3.32Å; S223-L227 VanDerWaalsContact O-N 3.14Å; W224-L227 HydrophobicContact CE3-CD2 4.19Å; W224-L227 HydrophobicContact CZ3-CD2 4.35Å; W224-L227 WeakPolarHBondContact O-CA 3.38Å; W224-L227 WeakPolarHBondContact O-CB 3.46Å; W224-L227 PolarHBondContact O-N 3.21Å; D225-L227 VanDerWaalsContact C-N 3.3Å; D225-L227 PolarHBondContact O-N 3.27Å; L227-R229 VanDerWaalsContact C-N 3.31Å; L227-R229 PolarHBondContact O-N 2.72Å
228N63.2Low69.2Low28 Ų2876.1 Ų76.115%0.1538%0.376CS..Hα-helixtrans-59.7-41.1172.9-175.6-22.2000110.6W224 D225 G230 F231 L232W224-N228 PolarHBondContact O-N 3.4Å; D225-N228 PolarHBondContact O-N 3.39Å; N228-G230 PolarHBondContact O-N 3.49Å; N228-G230 PolarHBondContact OD1-N 3.43Å; N228-F231 WeakPolarHBondContact O-CB 3.39Å; N228-F231 PolarHBondContact O-N 2.83Å; N228-F231 PolarHBondContact OD1-N 3.26Å; N228-L232 PolarHBondContact ND2-O 2.81Å; N228-L232 PolarHBondContact OD1-N 3.21Å
229R63.3Low69.7Low210 Ų21072.4 Ų72.479%0.79235%0.353SS*.THydrogen-bonded Turntrans57.510.6-176.8-57.4-179.4175.6-176-1.2114.1D225 K226 L227 H382D225-R229 PolarHBondContact O-N 3.44Å; D225-R229 VanDerWaalsContact O-N 3.11Å; K226-R229 WeakPolarHBondContact O-CG 3.38Å; L227-R229 VanDerWaalsContact C-N 3.31Å; L227-R229 PolarHBondContact O-N 2.72Å; R229-H382 VanDerWaalsContact C-CE1 3.48Å; R229-H382 PolarHBondContact O-CE1 2.68Å
230G61.6Low70.7Confident23 Ų2368.8 Ų68.824%0.23733%0.331CS..THydrogen-bonded Turntrans77.726.5-169.400000114.5N228 L232 P233N228-G230 PolarHBondContact O-N 3.49Å; N228-G230 PolarHBondContact OD1-N 3.43Å; G230-L232 VanDerWaalsContact C-N 3.27Å; G230-L232 PolarHBondContact O-N 2.88Å; G230-P233 WeakPolarHBondContact O-CD 3.47Å
231F57.1Low71.9Confident186 Ų18668.5 Ų68.582%0.81633%0.326SS*.SBendtrans-57.3-41.2170.1-179.4-99000111.4N228N228-F231 WeakPolarHBondContact O-CB 3.39Å; N228-F231 PolarHBondContact O-N 2.83Å; N228-F231 PolarHBondContact OD1-N 3.26Å
232L58Low73.6Confident92 Ų9259.2 Ų59.248%0.48229%0.292SS..SBendtrans-124.599.4162.6-76.2169.2000108.4N228 G230 S234N228-L232 PolarHBondContact ND2-O 2.81Å; N228-L232 PolarHBondContact OD1-N 3.21Å; G230-L232 VanDerWaalsContact C-N 3.27Å; G230-L232 PolarHBondContact O-N 2.88Å; L232-S234 VanDerWaalsContact C-N 3.26Å; L232-S234 PolarHBondContact O-N 3.4Å
233P64.4Low75.2Confident45 Ų4556 Ų5629%0.29228%0.276SS..  trans-85.368.5-178.334.7-34000110.3G230 R384G230-P233 WeakPolarHBondContact O-CD 3.47Å; P233-R384 PolarHBondContact O-NH1 3.02Å
234S80.4Confident76.6Confident10 Ų1054.2 Ų54.27%0.0726%0.264CS..  trans-65.5150.5-167.9700000114.6E32 L232 R239 R384E32-S234 WeakPolarHBondContact OE2-CB 3.4Å; E32-S234 PolarHBondContact OE2-OG 3Å; L232-S234 VanDerWaalsContact C-N 3.26Å; L232-S234 PolarHBondContact O-N 3.4Å; S234-R239 VanDerWaalsContact C-NH1 3.3Å; S234-R239 PolarHBondContact O-NH1 3.43Å; S234-R239 WeakPolarHBondContact OG-CG 3.41Å; S234-R239 PolarHBondContact OG-NH1 3.02Å; S234-R239 VanDerWaalsContact OG-NH1 3.15Å; S234-R384 PolarHBondContact O-N 3.44Å
235D87.5Confident78Confident40 Ų4056.7 Ų56.721%0.21428%0.276CS..  trans-107.3176.6172.957.148.8000110.8V237 S238 R239 R384 I386D235-V237 PolarHBondContact O-N 3.45Å; D235-V237 WeakPolarHBondContact OD1-CA 3.23Å; D235-V237 WeakPolarHBondContact OD1-CB 3.5Å; D235-V237 PolarHBondContact OD1-N 3.23Å; D235-S238 VanDerWaalsContact CG-OG 3.27Å; D235-S238 PolarHBondContact N-OG 2.84Å; D235-S238 PolarHBondContact O-OG 2.77Å; D235-S238 WeakPolarHBondContact OD1-CB 3.26Å; D235-S238 PolarHBondContact OD1-N 3.15Å; D235-S238 PolarHBondContact OD1-OG 3.34Å; D235-R239 PolarHBondContact O-N 3.49Å; D235-R239 PolarHBondContact O-NH1 3.39Å; D235-R384 HydrophobicContact CB-CB 4.3Å; D235-I386 HydrophobicContact CB-CD1 3.55Å; D235-I386 HydrophobicContact CB-CG1 3.87Å
236E88.1Confident79.3Confident0 Ų056 Ų560%027%0.272CS..Hα-helixtrans-68.8-13.9-178.871.2-79.7-16800114.6A240 F385 I386 G387 A388 K393E236-A240 WeakPolarHBondContact O-CB 3.45Å; E236-A240 PolarHBondContact O-N 2.95Å; E236-F385 HydrophobicContact CB-CD2 4.41Å; E236-F385 HydrophobicContact CG-CD2 4.28Å; E236-F385 HydrophobicContact CG-CE2 4.31Å; E236-F385 VanDerWaalsContact OE2-CA 3.29Å; E236-F385 WeakPolarHBondContact OE2-CA 3.21Å; E236-I386 PolarHBondContact OE1-N 3Å; E236-I386 PolarHBondContact OE2-N 2.77Å; E236-G387 PolarHBondContact OE1-N 2.84Å; E236-A388 PolarHBondContact OE1-N 3.22Å; E236-K393 VanDerWaalsContact CG-CE 3.45Å
237V89.8Confident80.7Confident25 Ų2548.9 Ų48.915%0.15224%0.241CC..Hα-helixtrans-86.5-49.3175.9-179.20000109.6D235 R239 A240 F241 A388 V392 K393D235-V237 PolarHBondContact O-N 3.45Å; D235-V237 WeakPolarHBondContact OD1-CA 3.23Å; D235-V237 WeakPolarHBondContact OD1-CB 3.5Å; D235-V237 PolarHBondContact OD1-N 3.23Å; V237-R239 PolarHBondContact O-N 3.23Å; V237-A240 WeakPolarHBondContact O-CB 3.36Å; V237-A240 PolarHBondContact O-N 3.5Å; V237-A240 VanDerWaalsContact O-N 3.1Å; V237-F241 HydrophobicContact CG1-CD2 3.9Å; V237-F241 HydrophobicContact CG1-CE2 3.81Å; V237-F241 WeakPolarHBondContact O-CD2 3.27Å; V237-F241 PolarHBondContact O-N 3.44Å; V237-A388 HydrophobicContact CG2-CB 3.43Å; V237-A388 VanDerWaalsContact CG2-CB 3.43Å; V237-V392 HydrophobicContact CG1-CG1 4.27Å; V237-V392 HydrophobicContact CG2-CG1 4.29Å; V237-K393 HydrophobicContact CG2-CG 4.35Å
238S90.6Very high82.1Confident47 Ų4744.8 Ų44.833%0.32922%0.221SC..Hα-helixtrans-60.1-41.4175.945.60000112.7D235 A240 F241 L242D235-S238 VanDerWaalsContact CG-OG 3.27Å; D235-S238 PolarHBondContact N-OG 2.84Å; D235-S238 PolarHBondContact O-OG 2.77Å; D235-S238 WeakPolarHBondContact OD1-CB 3.26Å; D235-S238 PolarHBondContact OD1-N 3.15Å; D235-S238 PolarHBondContact OD1-OG 3.34Å; S238-A240 PolarHBondContact O-N 2.82Å; S238-F241 PolarHBondContact O-N 2.95Å; S238-L242 PolarHBondContact O-N 3.45Å
239R91.1Very high83.5Confident0 Ų045.4 Ų45.40%022%0.222CC..Hα-helixtrans-64.1-36.8171.1-72.7-169.2-60.1-79-0.5113.2I29 E32 S234 D235 V237 L242 A243 Q322 R384I29-R239 HydrophobicContact CD1-CB 3.83Å; I29-R239 HydrophobicContact CD1-CG 4.03Å; E32-R239 HydrophobicContact CB-CG 4.43Å; S234-R239 VanDerWaalsContact C-NH1 3.3Å; S234-R239 PolarHBondContact O-NH1 3.43Å; S234-R239 WeakPolarHBondContact OG-CG 3.41Å; S234-R239 PolarHBondContact OG-NH1 3.02Å; S234-R239 VanDerWaalsContact OG-NH1 3.15Å; D235-R239 PolarHBondContact O-N 3.49Å; D235-R239 PolarHBondContact O-NH1 3.39Å; V237-R239 PolarHBondContact O-N 3.23Å; R239-L242 PolarHBondContact O-N 3.3Å; R239-A243 WeakPolarHBondContact O-CB 3.34Å; R239-A243 PolarHBondContact O-N 3.5Å; R239-Q322 HydrophobicContact CB-CG 4.18Å; R239-R384 PolarHBondContact NH2-O 3.14Å
240A91.3Very high84.8Confident0 Ų035.6 Ų35.60%019%0.185CC..Hα-helixtrans-67.7-36.1175.100000112.7E236 V237 S238 S244 Q322 I323 A396E236-A240 WeakPolarHBondContact O-CB 3.45Å; E236-A240 PolarHBondContact O-N 2.95Å; V237-A240 WeakPolarHBondContact O-CB 3.36Å; V237-A240 PolarHBondContact O-N 3.5Å; V237-A240 VanDerWaalsContact O-N 3.1Å; S238-A240 PolarHBondContact O-N 2.82Å; A240-S244 PolarHBondContact O-N 3.39Å; A240-Q322 HydrophobicContact CB-CB 4.46Å; A240-I323 HydrophobicContact CB-CD1 3.69Å; A240-I323 HydrophobicContact CB-CG1 4.47Å; A240-A396 HydrophobicContact CB-CB 4.06Å
241F91.6Very high86.2Confident78 Ų7834.6 Ų34.634%0.34218%0.175SC..Hα-helixtrans-64.9-46.3170.6-88.2-78.5000111.7V237 S238 A243 S244 F245 A396V237-F241 HydrophobicContact CG1-CD2 3.9Å; V237-F241 HydrophobicContact CG1-CE2 3.81Å; V237-F241 WeakPolarHBondContact O-CD2 3.27Å; V237-F241 PolarHBondContact O-N 3.44Å; S238-F241 PolarHBondContact O-N 2.95Å; F241-A243 VanDerWaalsContact C-N 3.35Å; F241-A243 PolarHBondContact O-N 3Å; F241-S244 CarbonylContact O-C 3.56Å; F241-S244 PolarHBondContact O-N 3.2Å; F241-S244 VanDerWaalsContact O-N 3.11Å; F241-F245 WeakPolarHBondContact O-CD2 3.41Å; F241-F245 PolarHBondContact O-N 2.92Å; F241-A396 HydrophobicContact CB-CB 4.42Å; F241-A396 HydrophobicContact CD1-CB 3.94Å; F241-A396 HydrophobicContact CD2-CB 3.7Å; F241-A396 HydrophobicContact CE1-CB 4.08Å; F241-A396 HydrophobicContact CE2-CB 3.84Å; F241-A396 HydrophobicContact CG-CB 3.75Å; F241-A396 HydrophobicContact CZ-CB 4.02Å
242L91.9Very high87.8Confident22 Ų2227.9 Ų27.912%0.11515%0.147CC..Hα-helixtrans-57.7-46.3176.7179.658.6000111.6F25 L28 I29 S238 R239 S244 F245 I246F25-L242 HydrophobicContact CB-CD1 3.95Å; F25-L242 HydrophobicContact CD1-CD1 3.76Å; F25-L242 HydrophobicContact CG-CD1 4.03Å; L28-L242 HydrophobicContact CB-CD2 4.23Å; L28-L242 HydrophobicContact CD2-CD1 4.34Å; L28-L242 HydrophobicContact CD2-CD2 3.91Å; L28-L242 HydrophobicContact CG-CD2 3.84Å; I29-L242 HydrophobicContact CB-CD2 3.9Å; I29-L242 HydrophobicContact CB-CG 4.27Å; I29-L242 HydrophobicContact CD1-CB 4.38Å; I29-L242 HydrophobicContact CD1-CD2 3.99Å; I29-L242 HydrophobicContact CD1-CG 4.3Å; S238-L242 PolarHBondContact O-N 3.45Å; R239-L242 PolarHBondContact O-N 3.3Å; L242-S244 VanDerWaalsContact C-N 3.32Å; L242-S244 PolarHBondContact O-N 3.2Å; L242-F245 PolarHBondContact O-N 3.39Å; L242-F245 VanDerWaalsContact O-N 3.1Å; L242-I246 HydrophobicContact CG-CD1 4.31Å; L242-I246 WeakPolarHBondContact O-CG1 3.32Å; L242-I246 PolarHBondContact O-N 3.27Å
243A91.8Very high89.3Confident2 Ų223.7 Ų23.72%0.01713%0.125CC..Hα-helixtrans-62.5-34.4175.100000113.3R239 F241 L247 W319R239-A243 WeakPolarHBondContact O-CB 3.34Å; R239-A243 PolarHBondContact O-N 3.5Å; F241-A243 VanDerWaalsContact C-N 3.35Å; F241-A243 PolarHBondContact O-N 3Å; A243-L247 WeakPolarHBondContact O-CG 3.15Å; A243-L247 PolarHBondContact O-N 2.92Å; A243-W319 HydrophobicContact CB-CB 3.86Å; A243-W319 HydrophobicContact CB-CG 4.43Å
244S92.1Very high90.4Very high3 Ų321.8 Ų21.82%0.02111%0.113CC..Hα-helixtrans-71.4-33.2171.1-179.20000113.1A240 F241 L242 I246 V248 A396 S400A240-S244 PolarHBondContact O-N 3.39Å; F241-S244 CarbonylContact O-C 3.56Å; F241-S244 PolarHBondContact O-N 3.2Å; F241-S244 VanDerWaalsContact O-N 3.11Å; L242-S244 VanDerWaalsContact C-N 3.32Å; L242-S244 PolarHBondContact O-N 3.2Å; S244-I246 VanDerWaalsContact C-N 3.35Å; S244-V248 VanDerWaalsContact O-CG2 3.31Å; S244-V248 WeakPolarHBondContact O-CG2 3.36Å; S244-V248 PolarHBondContact O-N 2.66Å; S244-A396 WeakPolarHBondContact CB-O 3.45Å; S244-A396 PolarHBondContact OG-O 3.32Å; S244-S400 PolarHBondContact O-OG 3.15Å; S244-S400 PolarHBondContact OG-OG 3.42Å
245F92Very high90.7Very high104 Ų10422.6 Ų22.646%0.45612%0.116SC..Hα-helixtrans-65.3-40.9175.8-82.9-66.8000111.1F241 L242 V248 F249F241-F245 WeakPolarHBondContact O-CD2 3.41Å; F241-F245 PolarHBondContact O-N 2.92Å; L242-F245 PolarHBondContact O-N 3.39Å; L242-F245 VanDerWaalsContact O-N 3.1Å; F245-V248 PolarHBondContact O-N 3.49Å; F245-F249 WeakPolarHBondContact O-CD2 3.24Å; F245-F249 PolarHBondContact O-N 2.88Å
246I93.1Very high90.7Very high1 Ų120.9 Ų20.91%0.00511%0.106CC..Hα-helixtrans-56.5-54.7173.1-67.9155.6000110.6F25 N26 I29 L242 S244 V248 F249 D250 D315F25-I246 HydrophobicContact CB-CD1 3.98Å; F25-I246 HydrophobicContact CB-CG1 3.55Å; N26-I246 WeakPolarHBondContact OD1-CD1 3.42Å; N26-I246 WeakPolarHBondContact OD1-CG2 3.47Å; I29-I246 HydrophobicContact CB-CD1 4.15Å; I29-I246 HydrophobicContact CG2-CD1 3.78Å; L242-I246 HydrophobicContact CG-CD1 4.31Å; L242-I246 WeakPolarHBondContact O-CG1 3.32Å; L242-I246 PolarHBondContact O-N 3.27Å; S244-I246 VanDerWaalsContact C-N 3.35Å; I246-V248 VanDerWaalsContact C-N 3.28Å; I246-V248 PolarHBondContact O-N 3.23Å; I246-F249 PolarHBondContact O-N 3Å; I246-D250 PolarHBondContact O-N 3.45Å; I246-D315 HydrophobicContact CG2-CB 4.12Å; I246-D315 WeakPolarHBondContact CG2-OD2 3.36Å
247L92.3Very high90.5Very high1 Ų121 Ų211%0.00511%0.107CC..Hα-helixtrans-56.3-37.3177.7-75.6173.8000114.1A243 L251 L312 D315 L316 W319 F397A243-L247 WeakPolarHBondContact O-CG 3.15Å; A243-L247 PolarHBondContact O-N 2.92Å; L247-L251 PolarHBondContact O-N 3.1Å; L247-L312 HydrophobicContact CD2-CD1 3.68Å; L247-L312 HydrophobicContact CD2-CG 4.37Å; L247-D315 HydrophobicContact CD2-CB 4.16Å; L247-L316 HydrophobicContact CD1-CD1 3.96Å; L247-L316 HydrophobicContact CD2-CB 4.15Å; L247-W319 HydrophobicContact CD1-CB 3.83Å; L247-W319 HydrophobicContact CD1-CG 4.07Å; L247-F397 HydrophobicContact CD1-CE2 4.32Å
248V92.8Very high89.8Confident24 Ų2421.7 Ų21.715%0.14511%0.107CC..Hα-helixtrans-69.3-40.4174.7169.20000110.9S244 F245 I246 L251 L252 P399 A403S244-V248 VanDerWaalsContact O-CG2 3.31Å; S244-V248 WeakPolarHBondContact O-CG2 3.36Å; S244-V248 PolarHBondContact O-N 2.66Å; F245-V248 PolarHBondContact O-N 3.49Å; I246-V248 VanDerWaalsContact C-N 3.28Å; I246-V248 PolarHBondContact O-N 3.23Å; V248-L251 PolarHBondContact O-N 3.34Å; V248-L252 HydrophobicContact CG1-CD1 4.01Å; V248-L252 HydrophobicContact CG1-CG 4.41Å; V248-L252 VanDerWaalsContact O-CG 3.26Å; V248-L252 WeakPolarHBondContact O-CG 3.23Å; V248-L252 PolarHBondContact O-N 3.05Å; V248-P399 HydrophobicContact CG2-CB 4.05Å; V248-A403 HydrophobicContact CG2-CB 4.21Å
249F92.5Very high89Confident40 Ų4021 Ų2118%0.17510%0.098CC..Hα-helixtrans-69.6-40.9-179.2-85.1-130.3000112.1V18 L21 V22 F25 F245 I246 L251 L252 I253V18-F249 HydrophobicContact CB-CD1 4.42Å; V18-F249 HydrophobicContact CG1-CB 4.12Å; V18-F249 HydrophobicContact CG1-CD1 3.82Å; V18-F249 HydrophobicContact CG1-CG 4.18Å; L21-F249 HydrophobicContact CB-CD1 4.11Å; L21-F249 HydrophobicContact CB-CE1 3.89Å; L21-F249 HydrophobicContact CD1-CE1 3.87Å; V22-F249 HydrophobicContact CG2-CB 3.5Å; V22-F249 HydrophobicContact CG2-CD1 4.47Å; V22-F249 HydrophobicContact CG2-CG 4.49Å; F25-F249 HydrophobicContact CE2-CD1 4.39Å; F25-F249 HydrophobicContact CE2-CE1 4.03Å; F25-F249 HydrophobicContact CE2-CZ 4.24Å; F245-F249 WeakPolarHBondContact O-CD2 3.24Å; F245-F249 PolarHBondContact O-N 2.88Å; I246-F249 PolarHBondContact O-N 3Å; F249-L251 VanDerWaalsContact C-N 3.32Å; F249-L251 PolarHBondContact O-N 3.5Å; F249-L252 HydrophobicContact CD2-CD1 4.48Å; F249-L252 CarbonylContact O-C 3.56Å; F249-L252 WeakPolarHBondContact O-CA 3.29Å; F249-L252 WeakPolarHBondContact O-CB 3.47Å; F249-L252 PolarHBondContact O-N 3.36Å; F249-L252 VanDerWaalsContact O-N 3.12Å; F249-I253 WeakPolarHBondContact O-CG1 3.29Å; F249-I253 PolarHBondContact O-N 3.42Å
250D90.6Very high88.3Confident4 Ų422 Ų222%0.02110%0.103CC..Hα-helixtrans-54.2-48.7170.8-89.3-5.8000111.9I246 L252 I253 V254 L312I246-D250 PolarHBondContact O-N 3.45Å; D250-L252 VanDerWaalsContact C-N 3.27Å; D250-L252 PolarHBondContact O-N 3Å; D250-I253 WeakPolarHBondContact O-CB 3.09Å; D250-I253 PolarHBondContact O-N 3.1Å; D250-I253 VanDerWaalsContact O-N 3.12Å; D250-V254 PolarHBondContact O-N 3.37Å; D250-L312 HydrophobicContact CB-CD1 3.65Å
251L91.1Very high87.2Confident3 Ų322.6 Ų22.62%0.01611%0.106CC..Hα-helixtrans-66.2-33.9179.8-152.671.5000111.3L247 V248 F249 V254 M255 L312 A403 F404 F407L247-L251 PolarHBondContact O-N 3.1Å; V248-L251 PolarHBondContact O-N 3.34Å; F249-L251 VanDerWaalsContact C-N 3.32Å; F249-L251 PolarHBondContact O-N 3.5Å; L251-V254 PolarHBondContact O-N 2.86Å; L251-M255 HydrophobicContact CD2-SD 4.44Å; L251-M255 HydrophobicContact CG-SD 4.3Å; L251-M255 WeakPolarHBondContact O-CB 3.34Å; L251-M255 VanDerWaalsContact O-CG 3.25Å; L251-M255 WeakPolarHBondContact O-CG 3.31Å; L251-M255 PolarHBondContact O-N 3.33Å; L251-L312 HydrophobicContact CD1-CD2 4.32Å; L251-A403 HydrophobicContact CD2-CB 3.7Å; L251-A403 VanDerWaalsContact CD2-O 3.28Å; L251-A403 WeakPolarHBondContact CD2-O 3.23Å; L251-F404 HydrophobicContact CD1-CD1 4.27Å; L251-F404 HydrophobicContact CD1-CE1 4.1Å; L251-F404 HydrophobicContact CD2-CD1 4.11Å; L251-F404 HydrophobicContact CD2-CG 4.39Å; L251-F407 HydrophobicContact CD1-CB 4.23Å; L251-F407 HydrophobicContact CD1-CD1 4.29Å; L251-F407 HydrophobicContact CD1-CD2 3.64Å; L251-F407 HydrophobicContact CD1-CE2 3.98Å; L251-F407 HydrophobicContact CD1-CG 3.81Å; L251-F407 HydrophobicContact CD1-CZ 4.46Å; L251-F407 HydrophobicContact CD2-CB 3.7Å; L251-F407 HydrophobicContact CD2-CD2 4.43Å; L251-F407 HydrophobicContact CD2-CG 4.21Å; L251-F407 HydrophobicContact CG-CB 4.08Å; L251-F407 HydrophobicContact CG-CD2 3.87Å; L251-F407 HydrophobicContact CG-CG 4.11Å
252L91.4Very high86.1Confident44 Ų4422.3 Ų22.323%0.2311%0.106CC..Hα-helixtrans-64.9-37.4171.1-73.4171.3000112.5F9 V18 V248 F249 D250 V254 M255 Q256F9-L252 HydrophobicContact CE2-CD2 3.87Å; F9-L252 HydrophobicContact CZ-CD2 3.84Å; V18-L252 HydrophobicContact CG1-CB 4.14Å; V248-L252 HydrophobicContact CG1-CD1 4.01Å; V248-L252 HydrophobicContact CG1-CG 4.41Å; V248-L252 VanDerWaalsContact O-CG 3.26Å; V248-L252 WeakPolarHBondContact O-CG 3.23Å; V248-L252 PolarHBondContact O-N 3.05Å; F249-L252 HydrophobicContact CD2-CD1 4.48Å; F249-L252 CarbonylContact O-C 3.56Å; F249-L252 WeakPolarHBondContact O-CA 3.29Å; F249-L252 WeakPolarHBondContact O-CB 3.47Å; F249-L252 PolarHBondContact O-N 3.36Å; F249-L252 VanDerWaalsContact O-N 3.12Å; D250-L252 VanDerWaalsContact C-N 3.27Å; D250-L252 PolarHBondContact O-N 3Å; L252-V254 VanDerWaalsContact C-N 3.26Å; L252-V254 PolarHBondContact O-N 2.89Å; L252-M255 PolarHBondContact O-N 3.41Å; L252-Q256 WeakPolarHBondContact O-CB 3.24Å; L252-Q256 WeakPolarHBondContact O-CG 3.39Å; L252-Q256 PolarHBondContact O-N 3.4Å
253I89.6Confident85Confident5 Ų522 Ų223%0.02610%0.104CC..Hα-helixtrans-57.6-42.3174.9-65.7168.4000110.6V18 A19 V22 T167 V171 F249 D250 I308V18-I253 HydrophobicContact CG1-CG1 3.8Å; A19-I253 HydrophobicContact CB-CD1 4.1Å; A19-I253 HydrophobicContact CB-CG1 4.33Å; V22-I253 HydrophobicContact CG2-CD1 3.9Å; T167-I253 HydrophobicContact CG2-CD1 4Å; T167-I253 HydrophobicContact CG2-CG2 3.84Å; V171-I253 HydrophobicContact CG2-CG2 4.04Å; F249-I253 WeakPolarHBondContact O-CG1 3.29Å; F249-I253 PolarHBondContact O-N 3.42Å; D250-I253 WeakPolarHBondContact O-CB 3.09Å; D250-I253 PolarHBondContact O-N 3.1Å; D250-I253 VanDerWaalsContact O-N 3.12Å; I253-I308 HydrophobicContact CG2-CD1 4.27Å
254V87.3Confident83.4Confident4 Ų425.2 Ų25.22%0.02412%0.119CC..Hα-helixtrans-72.4-45.2177.3-172.40000111.5D250 L251 L252 Q256 D257 F260 F263 Y305 I308 F407D250-V254 PolarHBondContact O-N 3.37Å; L251-V254 PolarHBondContact O-N 2.86Å; L252-V254 VanDerWaalsContact C-N 3.26Å; L252-V254 PolarHBondContact O-N 2.89Å; V254-Q256 VanDerWaalsContact C-N 3.3Å; V254-Q256 PolarHBondContact O-N 2.98Å; V254-D257 PolarHBondContact O-N 3.36Å; V254-F260 HydrophobicContact CG1-CD2 4.23Å; V254-F263 HydrophobicContact CG1-CE1 4.2Å; V254-F263 HydrophobicContact CG1-CZ 3.84Å; V254-Y305 HydrophobicContact CG1-CD1 4.24Å; V254-Y305 HydrophobicContact CG1-CE1 4.04Å; V254-Y305 HydrophobicContact CG2-CD1 4.48Å; V254-I308 HydrophobicContact CG2-CD1 4.42Å; V254-I308 HydrophobicContact CG2-CG2 3.67Å; V254-F407 HydrophobicContact CB-CE2 4.24Å; V254-F407 HydrophobicContact CG1-CE2 3.8Å; V254-F407 HydrophobicContact CG1-CZ 4.44Å
255M86.8Confident81.6Confident27 Ų2726.5 Ų26.513%0.13313%0.133CC..Hα-helixtrans-68-27.1-179.5-71.7177.161.300113.6F9 L251 L252 D257 F260 F407 F410F9-M255 HydrophobicContact CZ-CB 4.45Å; L251-M255 HydrophobicContact CD2-SD 4.44Å; L251-M255 HydrophobicContact CG-SD 4.3Å; L251-M255 WeakPolarHBondContact O-CB 3.34Å; L251-M255 VanDerWaalsContact O-CG 3.25Å; L251-M255 WeakPolarHBondContact O-CG 3.31Å; L251-M255 PolarHBondContact O-N 3.33Å; L252-M255 PolarHBondContact O-N 3.41Å; M255-D257 VanDerWaalsContact C-N 3.25Å; M255-D257 PolarHBondContact O-N 2.93Å; M255-F260 HydrophobicContact CB-CD1 4.42Å; M255-F260 HydrophobicContact CB-CE1 4.32Å; M255-F260 HydrophobicContact CG-CD1 4.45Å; M255-F260 HydrophobicContact CG-CE1 3.92Å; M255-F260 HydrophobicContact CG-CE2 4.28Å; M255-F260 HydrophobicContact CG-CZ 3.84Å; M255-F407 HydrophobicContact CG-CD2 3.82Å; M255-F407 HydrophobicContact SD-CB 4.14Å; M255-F407 HydrophobicContact SD-CD2 4.29Å; M255-F410 HydrophobicContact CE-CD2 3.89Å; M255-F410 HydrophobicContact CE-CE2 3.78Å
256Q87.6Confident79.3Confident5 Ų528.9 Ų28.92%0.02315%0.15CC..THydrogen-bonded Turntrans-76.5-6.9174.9-75.4-179.1-19.700113.3F9 Q10 S14 R15 L252 V254F9-Q256 HydrophobicContact CD1-CG 4.04Å; F9-Q256 HydrophobicContact CD2-CG 4.33Å; F9-Q256 HydrophobicContact CE1-CB 4.29Å; F9-Q256 HydrophobicContact CE1-CG 3.56Å; F9-Q256 HydrophobicContact CE2-CG 3.88Å; F9-Q256 HydrophobicContact CG-CG 4.4Å; F9-Q256 HydrophobicContact CZ-CG 3.47Å; F9-Q256 VanDerWaalsContact CZ-CG 3.47Å; F9-Q256 PolarHBondContact O-NE2 3.49Å; F9-Q256 VanDerWaalsContact O-NE2 3.12Å; Q10-Q256 WeakPolarHBondContact CG-O 3.26Å; Q10-Q256 PolarHBondContact NE2-O 3.02Å; S14-Q256 PolarHBondContact OG-NE2 2.87Å; R15-Q256 HydrophobicContact CG-CB 4.05Å; L252-Q256 WeakPolarHBondContact O-CB 3.24Å; L252-Q256 WeakPolarHBondContact O-CG 3.39Å; L252-Q256 PolarHBondContact O-N 3.4Å; V254-Q256 VanDerWaalsContact C-N 3.3Å; V254-Q256 PolarHBondContact O-N 2.98Å
257D84.2Confident77.1Confident1 Ų132.8 Ų32.81%0.00517%0.174CC..SBendtrans-70.8143.2-179.7-166.6-105.8000114.5Q10 R15 M174 V254 M255 E259 F260 Y305Q10-D257 PolarHBondContact NE2-O 3.35Å; R15-D257 IonicContact CZ-OD2 2.99Å; R15-D257 VanDerWaalsContact CZ-OD2 3.26Å; R15-D257 IonicContact NH1-OD2 2.81Å; R15-D257 PolarHBondContact NH1-OD2 3.1Å; R15-D257 IonicContact NH2-OD2 3.36Å; R15-D257 PolarHBondContact NH2-OD2 3.5Å; M174-D257 VanDerWaalsContact CE-OD2 3.27Å; M174-D257 WeakPolarHBondContact CE-OD2 3.37Å; V254-D257 PolarHBondContact O-N 3.36Å; M255-D257 VanDerWaalsContact C-N 3.25Å; M255-D257 PolarHBondContact O-N 2.93Å; D257-E259 PolarHBondContact O-N 3.27Å; D257-E259 VanDerWaalsContact O-N 3.12Å; D257-E259 PolarHBondContact OD1-N 2.68Å; D257-E259 VanDerWaalsContact OD1-N 3.08Å; D257-F260 WeakPolarHBondContact O-CB 3.43Å; D257-F260 PolarHBondContact O-N 3.02Å; D257-F260 VanDerWaalsContact O-N 3.13Å; D257-Y305 VanDerWaalsContact CB-OH 3.24Å; D257-Y305 WeakPolarHBondContact CB-OH 3.41Å; D257-Y305 PolarHBondContact OD1-OH 3.25Å
258W73.9Confident75Confident41 Ų4138.7 Ų38.716%0.15521%0.206CC..THydrogen-bonded Turntrans-52.5-36.3-178.4-62.4128.9000113.5R6 Q10 M175 D178 Y181R6-W258 PolarHBondContact NH2-O 2.89Å; Q10-W258 HydrophobicContact CB-CE3 3.95Å; Q10-W258 HydrophobicContact CB-CH2 3.25Å; Q10-W258 HydrophobicContact CB-CZ2 4.18Å; Q10-W258 HydrophobicContact CB-CZ3 3.17Å; Q10-W258 HydrophobicContact CG-CE3 4.44Å; Q10-W258 HydrophobicContact CG-CH2 4.48Å; Q10-W258 HydrophobicContact CG-CZ3 3.99Å; Q10-W258 WeakPolarHBondContact O-CH2 3.3Å; Q10-W258 VanDerWaalsContact O-CZ2 3.29Å; Q10-W258 WeakPolarHBondContact O-CZ2 3.41Å; M175-W258 HydrophobicContact CE-CZ2 4.41Å; M175-W258 HydrophobicContact SD-CZ2 4.4Å; D178-W258 PolarHBondContact OD2-NE1 3.3Å; Y181-W258 HydrophobicContact CD2-CH2 4.17Å; Y181-W258 HydrophobicContact CD2-CZ2 4.05Å; Y181-W258 AromaticContact CE2-CH2 3.14Å; Y181-W258 HydrophobicContact CE2-CH2 3.14Å; Y181-W258 AromaticContact CE2-CZ2 3.43Å; Y181-W258 HydrophobicContact CE2-CZ2 3.43Å; Y181-W258 VanDerWaalsContact CE2-CZ2 3.43Å; Y181-W258 HydrophobicContact CE2-CZ3 4Å; Y181-W258 AromaticContact CZ-CH2 3.59Å; Y181-W258 WeakPolarHBondContact OH-CH2 3.41Å
259E73.3Confident73.2Confident32 Ų3238.9 Ų38.915%0.1521%0.207CC..THydrogen-bonded Turntrans-99.7-2.6-174-66.9171.7-154.800113.4D257 H262 F263 G265 V267 K301D257-E259 PolarHBondContact O-N 3.27Å; D257-E259 VanDerWaalsContact O-N 3.12Å; D257-E259 PolarHBondContact OD1-N 2.68Å; D257-E259 VanDerWaalsContact OD1-N 3.08Å; E259-H262 WeakPolarHBondContact O-CA 3.4Å; E259-H262 PolarHBondContact O-N 3.35Å; E259-F263 PolarHBondContact O-N 2.98Å; E259-G265 WeakPolarHBondContact OE2-CA 3.28Å; E259-G265 PolarHBondContact OE2-N 3.35Å; E259-V267 WeakPolarHBondContact OE1-CG2 3.49Å; E259-K301 IonicContact OE1-NZ 2.69Å; E259-K301 PolarHBondContact OE1-NZ 3.37Å; E259-K301 IonicContact OE2-NZ 2.75Å; E259-K301 PolarHBondContact OE2-NZ 3.22Å
260F76.9Confident71.6Confident22 Ų2239.1 Ų39.110%0.09621%0.21CC..THydrogen-bonded Turntrans-59.7136.5171.5-179-98.6000110.4V254 M255 D257 F263 F407 F410 I411V254-F260 HydrophobicContact CG1-CD2 4.23Å; M255-F260 HydrophobicContact CB-CD1 4.42Å; M255-F260 HydrophobicContact CB-CE1 4.32Å; M255-F260 HydrophobicContact CG-CD1 4.45Å; M255-F260 HydrophobicContact CG-CE1 3.92Å; M255-F260 HydrophobicContact CG-CE2 4.28Å; M255-F260 HydrophobicContact CG-CZ 3.84Å; D257-F260 WeakPolarHBondContact O-CB 3.43Å; D257-F260 PolarHBondContact O-N 3.02Å; D257-F260 VanDerWaalsContact O-N 3.13Å; F260-F263 HydrophobicContact CB-CE1 4.46Å; F260-F263 HydrophobicContact CD2-CE1 4.27Å; F260-F263 HydrophobicContact CD2-CE2 4.23Å; F260-F263 AromaticContact CD2-CZ 3.63Å; F260-F263 HydrophobicContact CD2-CZ 3.63Å; F260-F263 HydrophobicContact CE2-CZ 4.35Å; F260-F407 HydrophobicContact CD2-CE2 4.36Å; F260-F407 AromaticContact CE2-CD2 3.66Å; F260-F407 HydrophobicContact CE2-CD2 3.66Å; F260-F407 AromaticContact CE2-CE2 3.48Å; F260-F407 HydrophobicContact CE2-CE2 3.48Å; F260-F407 VanDerWaalsContact CE2-CE2 3.48Å; F260-F407 HydrophobicContact CE2-CZ 4.25Å; F260-F407 AromaticContact CZ-CD2 3.82Å; F260-F407 HydrophobicContact CZ-CD2 3.82Å; F260-F407 HydrophobicContact CZ-CE2 4.13Å; F260-F407 HydrophobicContact CZ-CG 4.48Å; F260-F410 HydrophobicContact CE1-CB 3.65Å; F260-F410 HydrophobicContact CE1-CD2 4.08Å; F260-F410 HydrophobicContact CE1-CG 4.04Å; F260-F410 HydrophobicContact CZ-CB 3.78Å; F260-I411 HydrophobicContact CE2-CD1 4Å; F260-I411 HydrophobicContact CE2-CG1 4.18Å; F260-I411 HydrophobicContact CZ-CG1 4.41Å
261P69.6Low70.3Confident11 Ų1139.4 Ų39.47%0.07121%0.212CC..THydrogen-bonded Turncis-97.821.6-3.637.5-34.8000114.3F410 I411 F414P261-F410 HydrophobicContact CB-CB 4.48Å; P261-F410 HydrophobicContact CG-CB 4.38Å; P261-F410 WeakPolarHBondContact CG-O 3.16Å; P261-I411 HydrophobicContact CB-CD1 3.82Å; P261-I411 HydrophobicContact CB-CG1 4.28Å; P261-F414 HydrophobicContact CG-CB 3.67Å
262H68.4Low68.7Low72 Ų7240 Ų4033%0.33322%0.215SC..THydrogen-bonded Turntrans-90.4-42.7-175.1-67.770.1000113.2M100 E259 M264 F414M100-H262 WeakPolarHBondContact CA-O 3.48Å; M100-H262 PolarHBondContact N-O 3.25Å; E259-H262 WeakPolarHBondContact O-CA 3.4Å; E259-H262 PolarHBondContact O-N 3.35Å; H262-M264 VanDerWaalsContact C-N 3.26Å; H262-M264 HydrophobicContact CB-CG 4.46Å; H262-M264 WeakPolarHBondContact O-CG 3.33Å; H262-M264 PolarHBondContact O-N 2.89Å; H262-F414 PolarHBondContact CE1-O 3.33Å; H262-F414 PolarHBondContact NE2-O 3.22Å
263F67.2Low67.2Low16 Ų1638.1 Ų38.17%0.0721%0.206CC..  trans53.934.3-178-49.8-73.1000114.8M100 V254 E259 F260 Y305 I411M100-F263 HydrophobicContact CB-CB 4.02Å; M100-F263 HydrophobicContact CB-CD2 3.72Å; M100-F263 HydrophobicContact CB-CG 4.36Å; M100-F263 HydrophobicContact CG-CD2 4.39Å; M100-F263 HydrophobicContact SD-CD2 3.79Å; M100-F263 HydrophobicContact SD-CE2 3.89Å; V254-F263 HydrophobicContact CG1-CE1 4.2Å; V254-F263 HydrophobicContact CG1-CZ 3.84Å; E259-F263 PolarHBondContact O-N 2.98Å; F260-F263 HydrophobicContact CB-CE1 4.46Å; F260-F263 HydrophobicContact CD2-CE1 4.27Å; F260-F263 HydrophobicContact CD2-CE2 4.23Å; F260-F263 AromaticContact CD2-CZ 3.63Å; F260-F263 HydrophobicContact CD2-CZ 3.63Å; F260-F263 HydrophobicContact CE2-CZ 4.35Å; F263-Y305 HydrophobicContact CD1-CD2 4.15Å; F263-Y305 HydrophobicContact CD1-CE1 4.43Å; F263-Y305 AromaticContact CD1-CE2 3.43Å; F263-Y305 HydrophobicContact CD1-CE2 3.43Å; F263-Y305 VanDerWaalsContact CD1-CE2 3.43Å; F263-Y305 AromaticContact CD1-CZ 3.62Å; F263-Y305 HydrophobicContact CE1-CD1 4.41Å; F263-Y305 HydrophobicContact CE1-CD2 4.28Å; F263-Y305 AromaticContact CE1-CE1 3.81Å; F263-Y305 HydrophobicContact CE1-CE1 3.81Å; F263-Y305 AromaticContact CE1-CE2 3.66Å; F263-Y305 HydrophobicContact CE1-CE2 3.66Å; F263-Y305 AromaticContact CE1-CZ 3.4Å; F263-Y305 VanDerWaalsContact CE1-CZ 3.4Å; F263-Y305 HydrophobicContact CG-CE2 4.41Å; F263-I411 HydrophobicContact CE2-CD1 4.01Å
264M58.5Low66.1Low70 Ų7040.5 Ų40.535%0.34522%0.219SC..  trans-106.63.9-171.9-72.7-165.4128.600115.4K99 R102 H262 D266 F417K99-M264 HydrophobicContact CB-CE 3.9Å; K99-M264 HydrophobicContact CB-CG 4.26Å; K99-M264 HydrophobicContact CB-SD 3.81Å; K99-M264 HydrophobicContact CD-SD 4.16Å; K99-M264 HydrophobicContact CG-CE 4.16Å; K99-M264 HydrophobicContact CG-SD 4.08Å; K99-M264 WeakPolarHBondContact O-CE 3.13Å; R102-M264 HydrophobicContact CB-CE 3.98Å; R102-M264 VanDerWaalsContact CD-CE 3.46Å; R102-M264 HydrophobicContact CG-CE 4.33Å; H262-M264 VanDerWaalsContact C-N 3.26Å; H262-M264 HydrophobicContact CB-CG 4.46Å; H262-M264 WeakPolarHBondContact O-CG 3.33Å; H262-M264 PolarHBondContact O-N 2.89Å; M264-D266 PolarHBondContact O-N 3.07Å; M264-F417 HydrophobicContact CE-CE1 4.29Å; M264-F417 HydrophobicContact CE-CZ 3.76Å
265G53.9Low64.6Low29 Ų2946 Ų4630%0.29924%0.244SC..  trans-78.1126.5-170.600000113.6E259 V267 K301E259-G265 WeakPolarHBondContact OE2-CA 3.28Å; E259-G265 PolarHBondContact OE2-N 3.35Å; G265-V267 PolarHBondContact O-N 3.02Å; G265-K301 PolarHBondContact O-NZ 2.86Å
266D45.3Very low63.1Low154 Ų15447.8 Ų47.882%0.82426%0.257SS*.  trans-74.148.7162.7-61.9-48.2000111.3M264 D268M264-D266 PolarHBondContact O-N 3.07Å; D266-D268 PolarHBondContact O-N 3.23Å
267V45.9Very low61.6Low84 Ų8449.3 Ų49.351%0.50927%0.267SS..  trans-81.4110165.6-169.70000106.4E259 G265 V269E259-V267 WeakPolarHBondContact OE1-CG2 3.49Å; G265-V267 PolarHBondContact O-N 3.02Å; V267-V269 HydrophobicContact CB-CG2 4.29Å; V267-V269 HydrophobicContact CG1-CG2 3.7Å; V267-V269 PolarHBondContact O-N 2.79Å
268D48.8Very low60.4Low124 Ų12453.7 Ų53.766%0.66329%0.287SS*.  trans-65.553.7177-67.3-58.5000113.3D266 N270D266-D268 PolarHBondContact O-N 3.23Å; D268-N270 PolarHBondContact O-N 2.73Å; D268-N270 VanDerWaalsContact O-N 3.11Å
269V53.6Low59.6Low28 Ų2855.2 Ų55.217%0.1730%0.297CS..  trans-74.596.9165.1-170.10000106.5M174 V267M174-V269 HydrophobicContact CG-CG1 4.11Å; V267-V269 HydrophobicContact CB-CG2 4.29Å; V267-V269 HydrophobicContact CG1-CG2 3.7Å; V267-V269 PolarHBondContact O-N 2.79Å
270N60.7Low58.9Low46 Ų4658 Ų5825%0.24631%0.31CS..PPolyproline II helixtrans-50.4145.1169.7-69.2-26.7000110R198 D268 H275 P277R198-N270 PolarHBondContact NH2-O 2.98Å; D268-N270 PolarHBondContact O-N 2.73Å; D268-N270 VanDerWaalsContact O-N 3.11Å; N270-H275 VanDerWaalsContact CG-O 3.31Å; N270-H275 PolarHBondContact ND2-O 3.45Å; N270-H275 PolarHBondContact OD1-O 2.65Å; N270-P277 WeakPolarHBondContact OD1-CD 3.11Å
271L62.2Low58.2Low10 Ų1062.3 Ų62.35%0.05233%0.329CS..PPolyproline II helixtrans-47.7141.5176-91.3153.4000111.5R198 G273 L274 T276 F303R198-L271 PolarHBondContact NH2-O 2.71Å; L271-G273 PolarHBondContact O-N 2.88Å; L271-L274 HydrophobicContact CB-CB 3.76Å; L271-L274 HydrophobicContact CB-CD1 3.84Å; L271-L274 HydrophobicContact CB-CG 4.3Å; L271-L274 HydrophobicContact CD1-CD1 3.97Å; L271-L274 HydrophobicContact CG-CD1 4.44Å; L271-L274 PolarHBondContact O-N 3.2Å; L271-T276 WeakPolarHBondContact CB-O 3.29Å; L271-T276 PolarHBondContact N-O 3.19Å; L271-F303 HydrophobicContact CD2-CB 4.39Å; L271-F303 HydrophobicContact CD2-CD1 3.9Å; L271-F303 HydrophobicContact CD2-CG 4.42Å
272P57.7Low57.6Low15 Ų1568.5 Ų68.510%0.09736%0.355CS..THydrogen-bonded Turntrans-53.3132.2173.6-26.435.4000111M170 F202 L274M170-P272 HydrophobicContact CB-CG 4.28Å; F202-P272 HydrophobicContact CD2-CB 4.07Å; F202-P272 HydrophobicContact CE2-CB 3.51Å; F202-P272 HydrophobicContact CZ-CB 3.92Å; P272-L274 PolarHBondContact O-N 2.67Å
273G59.6Low57.2Low4 Ų467.9 Ų67.94%0.04135%0.353CS..THydrogen-bonded Turntrans70.92.5-175.400000116.3W203 L271W203-G273 PolarHBondContact NE1-O 3.45Å; L271-G273 PolarHBondContact O-N 2.88Å
274L66.6Low56.3Low56 Ų5672.2 Ų72.229%0.29338%0.383SS..SBendtrans-128.7163.4-175.7-68.3174.2000112.9R198 L271 P272 M279R198-L274 PolarHBondContact NH1-O 3.39Å; R198-L274 VanDerWaalsContact NH1-O 3.11Å; L271-L274 HydrophobicContact CB-CB 3.76Å; L271-L274 HydrophobicContact CB-CD1 3.84Å; L271-L274 HydrophobicContact CB-CG 4.3Å; L271-L274 HydrophobicContact CD1-CD1 3.97Å; L271-L274 HydrophobicContact CG-CD1 4.44Å; L271-L274 PolarHBondContact O-N 3.2Å; P272-L274 PolarHBondContact O-N 2.67Å; L274-M279 HydrophobicContact CD1-CE 3.9Å
275H56.3Low56.1Low120 Ų12076.4 Ų76.456%0.55640%0.399SS*.SBendtrans-93.7-8.3178.6-74.3-83.9000114.3I199 N270I199-H275 VanDerWaalsContact CD1-CE1 3.48Å; I199-H275 WeakPolarHBondContact CD1-CE1 3.4Å; I199-H275 WeakPolarHBondContact CD1-NE2 3.46Å; N270-H275 VanDerWaalsContact CG-O 3.31Å; N270-H275 PolarHBondContact ND2-O 3.45Å; N270-H275 PolarHBondContact OD1-O 2.65Å
276T55.8Low56Low64 Ų6476.6 Ų76.639%0.39339%0.392SS..  trans-113.8148-176.855.50000112.4L271 H278L271-T276 WeakPolarHBondContact CB-O 3.29Å; L271-T276 PolarHBondContact N-O 3.19Å; T276-H278 PolarHBondContact OG1-O 3.29Å
277P55.5Low56.2Low37 Ų3775.2 Ų75.224%0.2438%0.381CS..SBendtrans-85.7-14.2175.432.4-33.2000113.6N270 G300N270-P277 WeakPolarHBondContact OD1-CD 3.11Å; P277-G300 PolarHBondContact O-N 2.87Å
278H59.1Low56.5Low92 Ų9281.2 Ų81.243%0.42640%0.4SS..EExtended strand (participates in β ladder)trans-142.1155.9-179.457.7-105.9000112.9T276 I298 T299T276-H278 PolarHBondContact OG1-O 3.29Å; H278-I298 WeakPolarHBondContact CA-O 3.4Å; H278-T299 HydrophobicContact CB-CG2 4.49Å
279M56.6Low57Low74 Ų7480.7 Ų80.737%0.36540%0.396SS..EExtended strand (participates in β ladder)trans-124.7134.9164.1-74.6-175.3164.300109.4L274 F281 I298L274-M279 HydrophobicContact CD1-CE 3.9Å; M279-F281 HydrophobicContact CB-CE2 4.01Å; M279-F281 HydrophobicContact SD-CE2 4.38Å; M279-F281 HydrophobicContact SD-CZ 4.31Å; M279-I298 HydrophobicContact CB-CB 4.43Å; M279-I298 PolarHBondContact N-O 3.42Å; M279-I298 PolarHBondContact O-N 3.47Å
280Q58.9Low57.1Low91 Ų9181.8 Ų81.843%0.42540%0.399SS..EExtended strand (participates in β ladder)trans-125.1114.6178.3-71.9-174.714.900110.5H297Q280-H297 WeakPolarHBondContact CG-CD2 3.49Å; Q280-H297 PolarHBondContact NE2-NE2 2.96Å
281F61.1Low56.5Low112 Ų11290.4 Ų90.449%0.49143%0.434SS..EExtended strand (participates in β ladder)trans-101.5127.8174.5-62.2-84000109.6M279 I296 I298M279-F281 HydrophobicContact CB-CE2 4.01Å; M279-F281 HydrophobicContact SD-CE2 4.38Å; M279-F281 HydrophobicContact SD-CZ 4.31Å; F281-I296 HydrophobicContact CB-CB 4.4Å; F281-I296 PolarHBondContact N-O 2.88Å; F281-I296 PolarHBondContact O-N 3.47Å; F281-I298 HydrophobicContact CD2-CD1 4.38Å; F281-I298 HydrophobicContact CE2-CD1 4.18Å
282K58.5Low56.2Low140 Ų14095.3 Ų95.361%0.60946%0.457SS*.EExtended strand (participates in β ladder)trans-102.9125.2175.3-61.6-174.2179.6-174.10108.9P284K282-P284 WeakPolarHBondContact O-CD 3.32Å
283I59.1Low56.1Low59 Ų5999.1 Ų99.130%0.30347%0.473SS..  trans-101.3104.2176.7-56.4-178.1000108.8F285 F286 Y294 I296I283-F285 VanDerWaalsContact C-N 3.31Å; I283-F285 PolarHBondContact O-N 3.14Å; I283-F286 HydrophobicContact CB-CD2 4.44Å; I283-F286 HydrophobicContact CG2-CD2 3.7Å; I283-F286 HydrophobicContact CG2-CE2 4.04Å; I283-Y294 HydrophobicContact CD1-CD1 4.21Å; I283-Y294 HydrophobicContact CD1-CE1 4.32Å; I283-Y294 PolarHBondContact N-O 2.92Å; I283-I296 HydrophobicContact CD1-CD1 3.73Å; I283-I296 HydrophobicContact CD1-CG1 4.37Å
284P49Very low56.2Low107 Ų10799.5 Ų99.570%0.69547%0.473SS*.G310 helixtrans-68.7-26.5-169.326.5-35.1000113.7K282 F286 Q287K282-P284 WeakPolarHBondContact O-CD 3.32Å; P284-F286 VanDerWaalsContact C-N 3.3Å; P284-F286 PolarHBondContact O-N 3.48Å; P284-Q287 PolarHBondContact O-N 3.26Å
285F53.1Low56.1Low158 Ų158101.2 Ų101.269%0.69348%0.476SS*.G310 helixtrans-63.7-31.3-172.6-165.1-102.6000113.8I283 Q287I283-F285 VanDerWaalsContact C-N 3.31Å; I283-F285 PolarHBondContact O-N 3.14Å; F285-Q287 PolarHBondContact O-N 3.47Å
286F52.3Low56.6Low33 Ų3396.8 Ų96.815%0.14546%0.456CS..G310 helixtrans-83.8-8.9-173.6-71.9-69.7000115L77 I283 P284 K288 I289 F290L77-F286 HydrophobicContact CD1-CE1 3.88Å; L77-F286 HydrophobicContact CD1-CE2 4.18Å; L77-F286 HydrophobicContact CD1-CZ 3.38Å; L77-F286 HydrophobicContact CD2-CZ 4.41Å; I283-F286 HydrophobicContact CB-CD2 4.44Å; I283-F286 HydrophobicContact CG2-CD2 3.7Å; I283-F286 HydrophobicContact CG2-CE2 4.04Å; P284-F286 VanDerWaalsContact C-N 3.3Å; P284-F286 PolarHBondContact O-N 3.48Å; F286-K288 PolarHBondContact O-N 2.97Å; F286-K288 VanDerWaalsContact O-N 3.15Å; F286-I289 HydrophobicContact CD1-CD1 4.25Å; F286-I289 HydrophobicContact CE1-CD1 4.42Å; F286-I289 PolarHBondContact O-N 3.46Å; F286-F290 HydrophobicContact CB-CD2 4.15Å; F286-F290 HydrophobicContact CD1-CD2 4.21Å; F286-F290 HydrophobicContact CD1-CE2 4.03Å; F286-F290 PolarHBondContact O-N 3.28Å
287Q50.1Low57.2Low126 Ų12695.2 Ų95.259%0.58944%0.444SS*.G310 helixtrans-66-16.4-177.9-163.5175.518.800113.9P284 F285P284-Q287 PolarHBondContact O-N 3.26Å; F285-Q287 PolarHBondContact O-N 3.47Å
288K53.1Low57.8Low210 Ų21094.7 Ų94.791%0.91344%0.439SS*.G310 helixtrans-86.5-17.6170.7-85.9-172.1173.3-178.20114.3F286F286-K288 PolarHBondContact O-N 2.97Å; F286-K288 VanDerWaalsContact O-N 3.15Å
289I59.2Low58.3Low113 Ų11391.1 Ų91.158%0.57942%0.424SS*.THydrogen-bonded Turntrans-103.4-43.2-173.4-63.7173.9000110.4F286F286-I289 HydrophobicContact CD1-CD1 4.25Å; F286-I289 HydrophobicContact CE1-CD1 4.42Å; F286-I289 PolarHBondContact O-N 3.46Å
290F54.5Low58.7Low50 Ų5087.8 Ų87.822%0.21941%0.409CS..  trans-103.4134176.3-64.1-88.6000109.8I81 F85 F286 E292I81-F290 HydrophobicContact CD1-CE2 4.18Å; I81-F290 HydrophobicContact CD1-CZ 4.07Å; I81-F290 HydrophobicContact CG1-CE2 4.46Å; I81-F290 HydrophobicContact CG1-CZ 4.23Å; I81-F290 HydrophobicContact CG2-CE1 4.38Å; I81-F290 HydrophobicContact CG2-CZ 3.85Å; F85-F290 HydrophobicContact CD2-CD1 4.49Å; F85-F290 HydrophobicContact CD2-CE1 4.01Å; F85-F290 HydrophobicContact CE1-CD1 4.45Å; F85-F290 AromaticContact CE2-CD1 3.63Å; F85-F290 HydrophobicContact CE2-CD1 3.63Å; F85-F290 AromaticContact CE2-CE1 3.48Å; F85-F290 HydrophobicContact CE2-CE1 3.48Å; F85-F290 VanDerWaalsContact CE2-CE1 3.48Å; F85-F290 HydrophobicContact CE2-CG 4.31Å; F85-F290 HydrophobicContact CE2-CZ 4.06Å; F85-F290 AromaticContact CZ-CD1 3.61Å; F85-F290 HydrophobicContact CZ-CD1 3.61Å; F85-F290 AromaticContact CZ-CE1 3.96Å; F85-F290 HydrophobicContact CZ-CE1 3.96Å; F85-F290 HydrophobicContact CZ-CG 4.21Å; F286-F290 HydrophobicContact CB-CD2 4.15Å; F286-F290 HydrophobicContact CD1-CD2 4.21Å; F286-F290 HydrophobicContact CD1-CE2 4.03Å; F286-F290 PolarHBondContact O-N 3.28Å; F290-E292 PolarHBondContact O-N 3.09Å
291K48.8Very low59.3Low228 Ų22885.3 Ų85.399%0.99140%0.397SS*.SBendtrans-73.1-4.9175.4-70.6-176.5176.31790113.5
292E54.4Low60Low113 Ų11380.6 Ų80.653%0.52838%0.375SS..SBendtrans-109.7144.7176.1-62.8-179.4175.500109.4F290 Y294F290-E292 PolarHBondContact O-N 3.09Å; E292-Y294 PolarHBondContact O-N 3.08Å
293E57.4Low60.8Low95 Ų9577.6 Ų77.644%0.44436%0.362SS..  trans-67.6118.8178.3-72.2-169.3-179.600111.5R295E293-R295 VanDerWaalsContact C-N 3.26Å; E293-R295 HydrophobicContact CB-CG 4.23Å; E293-R295 PolarHBondContact O-N 2.91Å; E293-R295 IonicContact OE1-NH2 2.85Å; E293-R295 IonicContact OE2-CZ 3.26Å; E293-R295 IonicContact OE2-NE 2.78Å; E293-R295 PolarHBondContact OE2-NE 3.49Å; E293-R295 IonicContact OE2-NH2 3.29Å; E293-R295 PolarHBondContact OE2-NH2 3.18Å
294Y60.6Low61.7Low12 Ų1275.4 Ų75.45%0.04735%0.351CS..  trans-74.979.5175-155.2-82.5000111.5L80 K84 F85 M111 I283 E292 I296L80-Y294 PolarHBondContact O-OH 2.77Å; K84-Y294 HydrophobicContact CB-CE2 4.45Å; K84-Y294 HydrophobicContact CD-CE2 4.07Å; F85-Y294 HydrophobicContact CE2-CD2 4.16Å; F85-Y294 AromaticContact CE2-CE2 3.92Å; F85-Y294 HydrophobicContact CE2-CE2 3.92Å; F85-Y294 HydrophobicContact CZ-CD2 4.4Å; M111-Y294 HydrophobicContact SD-CE1 4.33Å; M111-Y294 PolarHBondContact SD-OH 3.37Å; I283-Y294 HydrophobicContact CD1-CD1 4.21Å; I283-Y294 HydrophobicContact CD1-CE1 4.32Å; I283-Y294 PolarHBondContact N-O 2.92Å; E292-Y294 PolarHBondContact O-N 3.08Å; Y294-I296 HydrophobicContact CD1-CG1 4.36Å; Y294-I296 HydrophobicContact CE1-CD1 4.28Å; Y294-I296 HydrophobicContact CE1-CG1 3.97Å
295R64.7Low63.1Low92 Ų9270.7 Ų70.735%0.34732%0.32SS..EExtended strand (participates in β ladder)trans-87.2139.3168.2-57.3-173.8-178.1-176.27.8109.7K84 E293K84-R295 PolarHBondContact NZ-O 3.09Å; E293-R295 VanDerWaalsContact C-N 3.26Å; E293-R295 HydrophobicContact CB-CG 4.23Å; E293-R295 PolarHBondContact O-N 2.91Å; E293-R295 IonicContact OE1-NH2 2.85Å; E293-R295 IonicContact OE2-CZ 3.26Å; E293-R295 IonicContact OE2-NE 2.78Å; E293-R295 PolarHBondContact OE2-NE 3.49Å; E293-R295 IonicContact OE2-NH2 3.29Å; E293-R295 PolarHBondContact OE2-NH2 3.18Å
296I67.2Low64.5Low26 Ų2663.4 Ų63.413%0.13329%0.289CS..EExtended strand (participates in β ladder)trans-105.3113.7164-59.2-175.8000106.6W108 M111 F281 I283 Y294 I298W108-I296 HydrophobicContact CB-CG2 4.4Å; M111-I296 HydrophobicContact CE-CB 4.43Å; M111-I296 HydrophobicContact CE-CD1 4.48Å; M111-I296 HydrophobicContact CE-CG1 4.04Å; M111-I296 HydrophobicContact CE-CG2 4.02Å; F281-I296 HydrophobicContact CB-CB 4.4Å; F281-I296 PolarHBondContact N-O 2.88Å; F281-I296 PolarHBondContact O-N 3.47Å; I283-I296 HydrophobicContact CD1-CD1 3.73Å; I283-I296 HydrophobicContact CD1-CG1 4.37Å; Y294-I296 HydrophobicContact CD1-CG1 4.36Å; Y294-I296 HydrophobicContact CE1-CD1 4.28Å; Y294-I296 HydrophobicContact CE1-CG1 3.97Å; I296-I298 HydrophobicContact CG2-CG1 4.19Å
297H68Low66Low31 Ų3163.4 Ų63.414%0.14429%0.29CS..EExtended strand (participates in β ladder)trans-101.8118177.9-163.3-169.9000109.6D104 Q280 T299D104-H297 HydrophobicContact CB-CB 3.96Å; Q280-H297 WeakPolarHBondContact CG-CD2 3.49Å; Q280-H297 PolarHBondContact NE2-NE2 2.96Å; H297-T299 VanDerWaalsContact CE1-CG2 3.42Å; H297-T299 WeakPolarHBondContact CE1-CG2 3.5Å; H297-T299 WeakPolarHBondContact NE2-CG2 3.43Å
298I67.6Low67.7Low27 Ų2757.6 Ų57.614%0.13826%0.263CS..EExtended strand (participates in β ladder)trans-109.6100.3173.1-56-177.8000106.8W108 H278 M279 F281 I296 F303W108-I298 HydrophobicContact CB-CG1 4.12Å; W108-I298 HydrophobicContact CG-CD1 4.28Å; W108-I298 HydrophobicContact CG-CG1 4.15Å; H278-I298 WeakPolarHBondContact CA-O 3.4Å; M279-I298 HydrophobicContact CB-CB 4.43Å; M279-I298 PolarHBondContact N-O 3.42Å; M279-I298 PolarHBondContact O-N 3.47Å; F281-I298 HydrophobicContact CD2-CD1 4.38Å; F281-I298 HydrophobicContact CE2-CD1 4.18Å; I296-I298 HydrophobicContact CG2-CG1 4.19Å; I298-F303 HydrophobicContact CG2-CB 3.85Å; I298-F303 HydrophobicContact CG2-CD2 4.04Å; I298-F303 HydrophobicContact CG2-CG 4.27Å
299T69.4Low69.3Low16 Ų1650 Ų5010%0.09823%0.23CC..EExtended strand (participates in β ladder)trans-89.1140.4173.453.30000109.6H278 H297 K301 W302 F303H278-T299 HydrophobicContact CB-CG2 4.49Å; H297-T299 VanDerWaalsContact CE1-CG2 3.42Å; H297-T299 WeakPolarHBondContact CE1-CG2 3.5Å; H297-T299 WeakPolarHBondContact NE2-CG2 3.43Å; T299-K301 VanDerWaalsContact C-N 3.3Å; T299-K301 PolarHBondContact O-N 2.92Å; T299-W302 PolarHBondContact O-N 3.46Å; T299-F303 PolarHBondContact O-N 3.07Å
300G65.4Low70.6Confident5 Ų548 Ų485%0.05222%0.22CC..Hα-helixtrans-55.4-41.7-167.200000114.6P277 F303 N304P277-G300 PolarHBondContact O-N 2.87Å; G300-F303 PolarHBondContact O-N 3.02Å; G300-N304 PolarHBondContact O-N 2.8Å; G300-N304 VanDerWaalsContact O-N 3.09Å; G300-N304 PolarHBondContact O-ND2 3.01Å; G300-N304 PolarHBondContact O-OD1 3.37Å
301K72.5Confident72.1Confident39 Ų3945.8 Ų45.817%0.1721%0.211CC..Hα-helixtrans-60.3-46.4175.7-68.2174176.5176.20112.5E259 G265 T299 N304 Y305E259-K301 IonicContact OE1-NZ 2.69Å; E259-K301 PolarHBondContact OE1-NZ 3.37Å; E259-K301 IonicContact OE2-NZ 2.75Å; E259-K301 PolarHBondContact OE2-NZ 3.22Å; G265-K301 PolarHBondContact O-NZ 2.86Å; T299-K301 VanDerWaalsContact C-N 3.3Å; T299-K301 PolarHBondContact O-N 2.92Å; K301-N304 PolarHBondContact O-N 3.43Å; K301-Y305 HydrophobicContact CB-CD2 4.31Å; K301-Y305 HydrophobicContact CB-CE2 4.18Å; K301-Y305 WeakPolarHBondContact O-CD2 3.36Å; K301-Y305 PolarHBondContact O-N 3.36Å
302W75.3Confident74Confident12 Ų1235.5 Ų35.55%0.04517%0.167CC..Hα-helixtrans-72.2-27.6-179.5-92.1112.1000113.6M100 F101 G106 M109 T299 G306M100-W302 HydrophobicContact CB-CZ2 3.78Å; M100-W302 HydrophobicContact CG-CH2 4.24Å; M100-W302 HydrophobicContact CG-CZ2 3.84Å; M100-W302 WeakPolarHBondContact O-CZ2 3.29Å; M100-W302 PolarHBondContact O-NE1 2.89Å; M100-W302 VanDerWaalsContact O-NE1 3.1Å; M100-W302 HydrophobicContact SD-CH2 3.99Å; M100-W302 HydrophobicContact SD-CZ2 4.14Å; F101-W302 HydrophobicContact CD1-CH2 4.16Å; F101-W302 AromaticContact CD1-CZ2 3.97Å; F101-W302 HydrophobicContact CD1-CZ2 3.97Å; F101-W302 AromaticContact CE1-CH2 3.51Å; F101-W302 HydrophobicContact CE1-CH2 3.51Å; F101-W302 AromaticContact CE1-CZ2 3.79Å; F101-W302 HydrophobicContact CE1-CZ2 3.79Å; F101-W302 HydrophobicContact CE1-CZ3 4.17Å; F101-W302 HydrophobicContact CE2-CH2 4.2Å; F101-W302 HydrophobicContact CG-CZ2 4.46Å; F101-W302 AromaticContact CZ-CH2 3.54Å; F101-W302 HydrophobicContact CZ-CH2 3.54Å; F101-W302 HydrophobicContact CZ-CZ2 4.14Å; F101-W302 HydrophobicContact CZ-CZ3 4.3Å; G106-W302 VanDerWaalsContact N-CD1 3.3Å; M109-W302 HydrophobicContact CE-CE3 4.43Å; M109-W302 HydrophobicContact CE-CH2 4.24Å; M109-W302 HydrophobicContact CE-CZ3 3.58Å; M109-W302 HydrophobicContact SD-CE3 4.12Å; M109-W302 HydrophobicContact SD-CZ3 3.73Å; T299-W302 PolarHBondContact O-N 3.46Å; W302-G306 PolarHBondContact O-N 3.07Å
303F75.9Confident75.6Confident77 Ų7734.4 Ų34.434%0.33816%0.163SC..Hα-helixtrans-62.2-51.1168-178.9-106.9000110.5L271 I298 T299 G300 G306 I307L271-F303 HydrophobicContact CD2-CB 4.39Å; L271-F303 HydrophobicContact CD2-CD1 3.9Å; L271-F303 HydrophobicContact CD2-CG 4.42Å; I298-F303 HydrophobicContact CG2-CB 3.85Å; I298-F303 HydrophobicContact CG2-CD2 4.04Å; I298-F303 HydrophobicContact CG2-CG 4.27Å; T299-F303 PolarHBondContact O-N 3.07Å; G300-F303 PolarHBondContact O-N 3.02Å; F303-G306 PolarHBondContact O-N 3.24Å; F303-I307 HydrophobicContact CD1-CD1 4.12Å; F303-I307 HydrophobicContact CE1-CD1 3.67Å; F303-I307 HydrophobicContact CZ-CD1 3.99Å; F303-I307 PolarHBondContact O-N 3.08Å
304N76.2Confident77Confident13 Ų1332.4 Ų32.47%0.0716%0.155CC..Hα-helixtrans-65.9-43.8-179.4-56.1-16.1000112.4M170 G300 K301 G306 I307 I308M170-N304 HydrophobicContact CG-CB 4.4Å; M170-N304 WeakPolarHBondContact CG-ND2 3.49Å; M170-N304 HydrophobicContact SD-CB 3.34Å; M170-N304 WeakPolarHBondContact SD-CB 3.48Å; M170-N304 PolarHBondContact SD-ND2 3.04Å; G300-N304 PolarHBondContact O-N 2.8Å; G300-N304 VanDerWaalsContact O-N 3.09Å; G300-N304 PolarHBondContact O-ND2 3.01Å; G300-N304 PolarHBondContact O-OD1 3.37Å; K301-N304 PolarHBondContact O-N 3.43Å; N304-G306 VanDerWaalsContact C-N 3.27Å; N304-G306 PolarHBondContact O-N 3.13Å; N304-I307 WeakPolarHBondContact O-CB 3.29Å; N304-I307 PolarHBondContact O-N 3.45Å; N304-I307 VanDerWaalsContact O-N 3.12Å; N304-I308 WeakPolarHBondContact O-CG1 3.4Å; N304-I308 PolarHBondContact O-N 3.04Å
305Y79.9Confident78.3Confident9 Ų932.1 Ų32.14%0.03516%0.155CC..Hα-helixtrans-62.7-34.2173.5-72.4-55.3000112.3V254 D257 F263 K301 I307 I308 F309V254-Y305 HydrophobicContact CG1-CD1 4.24Å; V254-Y305 HydrophobicContact CG1-CE1 4.04Å; V254-Y305 HydrophobicContact CG2-CD1 4.48Å; D257-Y305 VanDerWaalsContact CB-OH 3.24Å; D257-Y305 WeakPolarHBondContact CB-OH 3.41Å; D257-Y305 PolarHBondContact OD1-OH 3.25Å; F263-Y305 HydrophobicContact CD1-CD2 4.15Å; F263-Y305 HydrophobicContact CD1-CE1 4.43Å; F263-Y305 AromaticContact CD1-CE2 3.43Å; F263-Y305 HydrophobicContact CD1-CE2 3.43Å; F263-Y305 VanDerWaalsContact CD1-CE2 3.43Å; F263-Y305 AromaticContact CD1-CZ 3.62Å; F263-Y305 HydrophobicContact CE1-CD1 4.41Å; F263-Y305 HydrophobicContact CE1-CD2 4.28Å; F263-Y305 AromaticContact CE1-CE1 3.81Å; F263-Y305 HydrophobicContact CE1-CE1 3.81Å; F263-Y305 AromaticContact CE1-CE2 3.66Å; F263-Y305 HydrophobicContact CE1-CE2 3.66Å; F263-Y305 AromaticContact CE1-CZ 3.4Å; F263-Y305 VanDerWaalsContact CE1-CZ 3.4Å; F263-Y305 HydrophobicContact CG-CE2 4.41Å; K301-Y305 HydrophobicContact CB-CD2 4.31Å; K301-Y305 HydrophobicContact CB-CE2 4.18Å; K301-Y305 WeakPolarHBondContact O-CD2 3.36Å; K301-Y305 PolarHBondContact O-N 3.36Å; Y305-I307 VanDerWaalsContact C-N 3.32Å; Y305-I307 PolarHBondContact O-N 2.8Å; Y305-I308 HydrophobicContact CD1-CD1 4.09Å; Y305-I308 HydrophobicContact CE1-CD1 4.5Å; Y305-I308 PolarHBondContact O-N 3.01Å; Y305-F309 WeakPolarHBondContact O-CD2 3.13Å; Y305-F309 PolarHBondContact O-N 3.41Å
306G82.3Confident79.3Confident4 Ų430.8 Ų30.84%0.04115%0.154CC..Hα-helixtrans-65.5-32.8172.900000113.6W302 F303 N304 L310W302-G306 PolarHBondContact O-N 3.07Å; F303-G306 PolarHBondContact O-N 3.24Å; N304-G306 VanDerWaalsContact C-N 3.27Å; N304-G306 PolarHBondContact O-N 3.13Å; G306-L310 WeakPolarHBondContact O-CB 3.47Å; G306-L310 PolarHBondContact O-N 3.34Å; G306-L310 VanDerWaalsContact O-N 3.09Å
307I84.3Confident80.3Confident34 Ų3431.2 Ų31.217%0.17416%0.157CC..Hα-helixtrans-65.5-49170.6-68170.6000110V166 F303 N304 Y305 F309 L310 V311V166-I307 HydrophobicContact CG1-CD1 3.82Å; F303-I307 HydrophobicContact CD1-CD1 4.12Å; F303-I307 HydrophobicContact CE1-CD1 3.67Å; F303-I307 HydrophobicContact CZ-CD1 3.99Å; F303-I307 PolarHBondContact O-N 3.08Å; N304-I307 WeakPolarHBondContact O-CB 3.29Å; N304-I307 PolarHBondContact O-N 3.45Å; N304-I307 VanDerWaalsContact O-N 3.12Å; Y305-I307 VanDerWaalsContact C-N 3.32Å; Y305-I307 PolarHBondContact O-N 2.8Å; I307-F309 VanDerWaalsContact C-N 3.34Å; I307-F309 PolarHBondContact O-N 3Å; I307-L310 WeakPolarHBondContact O-CA 3.45Å; I307-L310 WeakPolarHBondContact O-CB 3.48Å; I307-L310 PolarHBondContact O-N 2.82Å; I307-V311 WeakPolarHBondContact O-CG2 3.42Å; I307-V311 PolarHBondContact O-N 3.35Å
308I85.3Confident81.1Confident3 Ų330.9 Ų30.92%0.01516%0.156CC..Hα-helixtrans-60.2-43.3178.4-59.8165000111.1T167 M170 I253 V254 N304 Y305 L310 V311 L312T167-I308 HydrophobicContact CG2-CD1 3.87Å; T167-I308 HydrophobicContact CG2-CG1 3.72Å; T167-I308 WeakPolarHBondContact OG1-CG1 3.36Å; M170-I308 HydrophobicContact CE-CD1 4.1Å; I253-I308 HydrophobicContact CG2-CD1 4.27Å; V254-I308 HydrophobicContact CG2-CD1 4.42Å; V254-I308 HydrophobicContact CG2-CG2 3.67Å; N304-I308 WeakPolarHBondContact O-CG1 3.4Å; N304-I308 PolarHBondContact O-N 3.04Å; Y305-I308 HydrophobicContact CD1-CD1 4.09Å; Y305-I308 HydrophobicContact CE1-CD1 4.5Å; Y305-I308 PolarHBondContact O-N 3.01Å; I308-L310 PolarHBondContact O-N 3.4Å; I308-V311 PolarHBondContact O-N 3.01Å; I308-L312 VanDerWaalsContact O-CB 3.3Å; I308-L312 WeakPolarHBondContact O-CB 3.42Å; I308-L312 PolarHBondContact O-N 2.85Å
309F86.1Confident82.1Confident51 Ų5131 Ų3122%0.22416%0.155CC..Hα-helixtrans-64.7-26.2174.7-80.2-60.3000113.4M109 F113 Y305 I307 L312 I313 F407M109-F309 HydrophobicContact CE-CD2 4.31Å; M109-F309 HydrophobicContact SD-CB 4.44Å; M109-F309 HydrophobicContact SD-CD2 3.62Å; M109-F309 HydrophobicContact SD-CE2 4.27Å; M109-F309 HydrophobicContact SD-CG 4.33Å; F113-F309 HydrophobicContact CZ-CB 4.48Å; Y305-F309 WeakPolarHBondContact O-CD2 3.13Å; Y305-F309 PolarHBondContact O-N 3.41Å; I307-F309 VanDerWaalsContact C-N 3.34Å; I307-F309 PolarHBondContact O-N 3Å; F309-L312 HydrophobicContact CD1-CD2 4.29Å; F309-I313 VanDerWaalsContact O-CD1 3.3Å; F309-I313 WeakPolarHBondContact O-CD1 3.36Å; F309-I313 VanDerWaalsContact O-CG1 3.24Å; F309-I313 WeakPolarHBondContact O-CG1 3.48Å; F309-I313 PolarHBondContact O-N 3.27Å; F309-F407 HydrophobicContact CE1-CZ 4.37Å; F309-F407 HydrophobicContact CZ-CZ 4.15Å
310L86Confident83Confident71 Ų7132.6 Ų32.637%0.37216%0.16SC..Hα-helixtrans-76.5-44.6175.1-170155.4000111F112 G306 I307 I308 I313 L314F112-L310 HydrophobicContact CE1-CD1 4.04Å; F112-L310 HydrophobicContact CZ-CD1 4.03Å; G306-L310 WeakPolarHBondContact O-CB 3.47Å; G306-L310 PolarHBondContact O-N 3.34Å; G306-L310 VanDerWaalsContact O-N 3.09Å; I307-L310 WeakPolarHBondContact O-CA 3.45Å; I307-L310 WeakPolarHBondContact O-CB 3.48Å; I307-L310 PolarHBondContact O-N 2.82Å; I308-L310 PolarHBondContact O-N 3.4Å; L310-I313 PolarHBondContact O-N 2.88Å; L310-L314 HydrophobicContact CD2-CD1 3.8Å; L310-L314 HydrophobicContact CD2-CG 4.24Å; L310-L314 PolarHBondContact O-N 3.43Å; L310-L314 VanDerWaalsContact O-N 3.1Å
311V87.3Confident84.1Confident3 Ų332.7 Ų32.72%0.01816%0.159CC..Hα-helixtrans-55.7-53.5172174.40000110.5T160 D164 I307 I308 I313 L314 D315T160-V311 HydrophobicContact CG2-CG1 4.45Å; D164-V311 VanDerWaalsContact OD1-CG1 3.31Å; D164-V311 WeakPolarHBondContact OD1-CG1 3.28Å; I307-V311 WeakPolarHBondContact O-CG2 3.42Å; I307-V311 PolarHBondContact O-N 3.35Å; I308-V311 PolarHBondContact O-N 3.01Å; V311-I313 PolarHBondContact O-N 2.79Å; V311-L314 WeakPolarHBondContact O-CA 3.35Å; V311-L314 WeakPolarHBondContact O-CB 3.19Å; V311-L314 PolarHBondContact O-N 3.39Å; V311-D315 PolarHBondContact O-N 2.85Å
312L88.9Confident84.9Confident13 Ų1330.9 Ų30.97%0.06815%0.151CC..Hα-helixtrans-55-29.6179.1-172.374.3000113.4L247 D250 L251 I308 F309 L316 F404L247-L312 HydrophobicContact CD2-CD1 3.68Å; L247-L312 HydrophobicContact CD2-CG 4.37Å; D250-L312 HydrophobicContact CB-CD1 3.65Å; L251-L312 HydrophobicContact CD1-CD2 4.32Å; I308-L312 VanDerWaalsContact O-CB 3.3Å; I308-L312 WeakPolarHBondContact O-CB 3.42Å; I308-L312 PolarHBondContact O-N 2.85Å; F309-L312 HydrophobicContact CD1-CD2 4.29Å; L312-L316 WeakPolarHBondContact O-CB 3.41Å; L312-L316 PolarHBondContact O-N 2.8Å; L312-F404 HydrophobicContact CD1-CZ 4.25Å; L312-F404 HydrophobicContact CD2-CE1 4.06Å; L312-F404 HydrophobicContact CD2-CZ 4.29Å; L312-F404 HydrophobicContact CG-CZ 4.4Å
313I87.5Confident85.5Confident89 Ų8930.5 Ų30.546%0.45615%0.15SC..Hα-helixtrans-80.2-37.1175.7-71.9167.9000112F113 F309 L310 V311 D315 N317F113-I313 HydrophobicContact CD1-CD1 4.47Å; F113-I313 HydrophobicContact CE1-CD1 3.47Å; F113-I313 VanDerWaalsContact CE1-CD1 3.47Å; F113-I313 HydrophobicContact CZ-CD1 3.65Å; F309-I313 VanDerWaalsContact O-CD1 3.3Å; F309-I313 WeakPolarHBondContact O-CD1 3.36Å; F309-I313 VanDerWaalsContact O-CG1 3.24Å; F309-I313 WeakPolarHBondContact O-CG1 3.48Å; F309-I313 PolarHBondContact O-N 3.27Å; L310-I313 PolarHBondContact O-N 2.88Å; V311-I313 PolarHBondContact O-N 2.79Å; I313-D315 VanDerWaalsContact C-N 3.35Å; I313-N317 PolarHBondContact O-N 3.37Å; I313-N317 VanDerWaalsContact O-N 3.12Å
314L86.3Confident86.2Confident53 Ų5331.8 Ų31.828%0.27716%0.156SC..Hα-helixtrans-63.3-44.1171.7-66.7175.4000110.6L310 V311 N317 M318L310-L314 HydrophobicContact CD2-CD1 3.8Å; L310-L314 HydrophobicContact CD2-CG 4.24Å; L310-L314 PolarHBondContact O-N 3.43Å; L310-L314 VanDerWaalsContact O-N 3.1Å; V311-L314 WeakPolarHBondContact O-CA 3.35Å; V311-L314 WeakPolarHBondContact O-CB 3.19Å; V311-L314 PolarHBondContact O-N 3.39Å; L314-N317 CarbonylContact O-C 3.59Å; L314-N317 WeakPolarHBondContact O-CA 3.32Å; L314-N317 WeakPolarHBondContact O-CB 3.45Å; L314-N317 PolarHBondContact O-N 3.47Å; L314-N317 VanDerWaalsContact O-N 3.1Å; L314-M318 PolarHBondContact O-N 2.97Å
315D87.4Confident86.8Confident7 Ų731.1 Ų31.14%0.03715%0.152CC..Hα-helixtrans-76.7-25.7-176.2-66.9-1.4000111.6N26 I246 L247 V311 I313 M318 W319N26-D315 PolarHBondContact ND2-OD2 3.16Å; N26-D315 PolarHBondContact OD1-OD2 3.2Å; I246-D315 HydrophobicContact CG2-CB 4.12Å; I246-D315 WeakPolarHBondContact CG2-OD2 3.36Å; L247-D315 HydrophobicContact CD2-CB 4.16Å; V311-D315 PolarHBondContact O-N 2.85Å; I313-D315 VanDerWaalsContact C-N 3.35Å; D315-M318 WeakPolarHBondContact O-CB 3.35Å; D315-M318 PolarHBondContact O-N 3.43Å; D315-W319 WeakPolarHBondContact O-CB 3.49Å; D315-W319 PolarHBondContact O-N 2.91Å
316L87.8Confident87.3Confident64 Ų6434.5 Ų34.534%0.33517%0.167SC..Hα-helixtrans-67.9-36.2166.6-173.767000111.7L247 L312 W319 K320 F397L247-L316 HydrophobicContact CD1-CD1 3.96Å; L247-L316 HydrophobicContact CD2-CB 4.15Å; L312-L316 WeakPolarHBondContact O-CB 3.41Å; L312-L316 PolarHBondContact O-N 2.8Å; L316-W319 HydrophobicContact CD1-CE3 4Å; L316-K320 VanDerWaalsContact O-CB 3.32Å; L316-K320 WeakPolarHBondContact O-CB 3.32Å; L316-K320 PolarHBondContact O-N 3.43Å; L316-F397 HydrophobicContact CD1-CE2 4.12Å; L316-F397 HydrophobicContact CD1-CZ 4.41Å
317N86.6Confident87.7Confident34 Ų3434.6 Ų34.618%0.18217%0.167CC..Hα-helixtrans-71.7-35.3172.5177.972.6000112.1I313 L314 K320 N321I313-N317 PolarHBondContact O-N 3.37Å; I313-N317 VanDerWaalsContact O-N 3.12Å; L314-N317 CarbonylContact O-C 3.59Å; L314-N317 WeakPolarHBondContact O-CA 3.32Å; L314-N317 WeakPolarHBondContact O-CB 3.45Å; L314-N317 PolarHBondContact O-N 3.47Å; L314-N317 VanDerWaalsContact O-N 3.1Å; N317-K320 PolarHBondContact O-N 3.16Å; N317-K320 PolarHBondContact OD1-NZ 3.06Å; N317-N321 WeakPolarHBondContact O-CB 3.33Å; N317-N321 VanDerWaalsContact O-CG 3.25Å; N317-N321 PolarHBondContact O-N 3.47Å; N317-N321 PolarHBondContact O-OD1 3.38Å
318M86.1Confident87.9Confident25 Ų2535.8 Ų35.812%0.12317%0.172CC..Hα-helixtrans-60-51.9169.7174.662.987.500111I29 M153 L314 D315 K320 N321 Q322I29-M318 HydrophobicContact CG1-CE 4.45Å; I29-M318 HydrophobicContact CG1-CG 4.16Å; I29-M318 HydrophobicContact CG1-SD 4.12Å; I29-M318 HydrophobicContact CG2-CE 4.35Å; M153-M318 HydrophobicContact CE-CE 3.53Å; M153-M318 HydrophobicContact CE-SD 4.33Å; L314-M318 PolarHBondContact O-N 2.97Å; D315-M318 WeakPolarHBondContact O-CB 3.35Å; D315-M318 PolarHBondContact O-N 3.43Å; M318-K320 PolarHBondContact O-N 3.48Å; M318-N321 WeakPolarHBondContact O-CB 3.42Å; M318-N321 PolarHBondContact O-N 3.35Å; M318-N321 VanDerWaalsContact O-N 3.09Å; M318-Q322 PolarHBondContact O-N 2.99Å; M318-Q322 HydrophobicContact SD-CG 4.46Å
319W88.5Confident88Confident30 Ų3039.8 Ų39.811%0.11419%0.191CC..Hα-helixtrans-55.6-49.3175.8170.281000111.5A243 L247 D315 L316 N321 Q322 I323 F397A243-W319 HydrophobicContact CB-CB 3.86Å; A243-W319 HydrophobicContact CB-CG 4.43Å; L247-W319 HydrophobicContact CD1-CB 3.83Å; L247-W319 HydrophobicContact CD1-CG 4.07Å; D315-W319 WeakPolarHBondContact O-CB 3.49Å; D315-W319 PolarHBondContact O-N 2.91Å; L316-W319 HydrophobicContact CD1-CE3 4Å; W319-N321 VanDerWaalsContact C-N 3.3Å; W319-N321 PolarHBondContact O-N 3.24Å; W319-Q322 PolarHBondContact O-N 2.93Å; W319-Q322 VanDerWaalsContact O-N 3.13Å; W319-I323 HydrophobicContact CD2-CG1 4.09Å; W319-I323 VanDerWaalsContact CE2-CG1 3.43Å; W319-I323 HydrophobicContact CH2-CG1 4.13Å; W319-I323 HydrophobicContact CZ2-CD1 3.78Å; W319-I323 HydrophobicContact CZ2-CG1 3.44Å; W319-I323 VanDerWaalsContact CZ2-CG1 3.44Å; W319-I323 WeakPolarHBondContact O-CG1 3.46Å; W319-I323 PolarHBondContact O-N 3.17Å; W319-F397 AromaticContact CD2-CD2 3.73Å; W319-F397 HydrophobicContact CD2-CD2 3.73Å; W319-F397 HydrophobicContact CD2-CE2 4.06Å; W319-F397 AromaticContact CE2-CD2 3.3Å; W319-F397 AromaticContact CE2-CG 3.77Å; W319-F397 HydrophobicContact CE3-CD2 4.11Å; W319-F397 HydrophobicContact CE3-CE2 4.06Å; W319-F397 HydrophobicContact CG-CD2 4.41Å; W319-F397 HydrophobicContact CH2-CB 4.26Å; W319-F397 HydrophobicContact CH2-CD1 4.21Å; W319-F397 AromaticContact CH2-CD2 3.83Å; W319-F397 HydrophobicContact CH2-CD2 3.83Å; W319-F397 HydrophobicContact CH2-CE2 4.19Å; W319-F397 AromaticContact CH2-CG 3.85Å; W319-F397 HydrophobicContact CH2-CG 3.85Å; W319-F397 HydrophobicContact CZ2-CB 3.41Å; W319-F397 VanDerWaalsContact CZ2-CB 3.41Å; W319-F397 HydrophobicContact CZ2-CD1 4.17Å; W319-F397 AromaticContact CZ2-CD2 3.4Å; W319-F397 HydrophobicContact CZ2-CD2 3.4Å; W319-F397 VanDerWaalsContact CZ2-CD2 3.4Å; W319-F397 HydrophobicContact CZ2-CE2 4.18Å; W319-F397 AromaticContact CZ2-CG 3.39Å; W319-F397 HydrophobicContact CZ2-CG 3.39Å; W319-F397 HydrophobicContact CZ3-CD2 4.15Å; W319-F397 HydrophobicContact CZ3-CE2 4.11Å; W319-F397 HydrophobicContact CZ3-CZ 4.5Å; W319-F397 AromaticContact NE1-CD2 3.69Å
320K88.4Confident88.1Confident48 Ų4838.8 Ų38.821%0.20919%0.186CC..Hα-helixtrans-57.9-41175.7161-100171-1690111.5L316 N317 M318 I323 F324L316-K320 VanDerWaalsContact O-CB 3.32Å; L316-K320 WeakPolarHBondContact O-CB 3.32Å; L316-K320 PolarHBondContact O-N 3.43Å; N317-K320 PolarHBondContact O-N 3.16Å; N317-K320 PolarHBondContact OD1-NZ 3.06Å; M318-K320 PolarHBondContact O-N 3.48Å; K320-I323 PolarHBondContact O-N 3.21Å; K320-F324 HydrophobicContact CG-CD2 4.17Å; K320-F324 WeakPolarHBondContact O-CD2 3.35Å; K320-F324 PolarHBondContact O-N 2.92Å; K320-F324 VanDerWaalsContact O-N 3.11Å
321N87.4Confident88.3Confident8 Ų835.5 Ų35.54%0.04317%0.168CC..Hα-helixtrans-63.7-42.4175.8-75.9-4.9000111.9N317 M318 W319 Y325N317-N321 WeakPolarHBondContact O-CB 3.33Å; N317-N321 VanDerWaalsContact O-CG 3.25Å; N317-N321 PolarHBondContact O-N 3.47Å; N317-N321 PolarHBondContact O-OD1 3.38Å; M318-N321 WeakPolarHBondContact O-CB 3.42Å; M318-N321 PolarHBondContact O-N 3.35Å; M318-N321 VanDerWaalsContact O-N 3.09Å; W319-N321 VanDerWaalsContact C-N 3.3Å; W319-N321 PolarHBondContact O-N 3.24Å; N321-Y325 WeakPolarHBondContact O-CA 3.46Å; N321-Y325 VanDerWaalsContact O-CB 3.26Å; N321-Y325 WeakPolarHBondContact O-CB 3.28Å; N321-Y325 PolarHBondContact O-N 3.34Å
322Q88.7Confident88.5Confident0 Ų035.3 Ų35.30%017%0.168CC..Hα-helixtrans-65.2-41.2177.1-63.9-52.9-45.100113.2I29 D33 R239 A240 M318 W319 Y325I29-Q322 HydrophobicContact CD1-CG 4.36Å; D33-Q322 PolarHBondContact OD1-NE2 3.43Å; D33-Q322 PolarHBondContact OD2-NE2 3.33Å; R239-Q322 HydrophobicContact CB-CG 4.18Å; A240-Q322 HydrophobicContact CB-CB 4.46Å; M318-Q322 PolarHBondContact O-N 2.99Å; M318-Q322 HydrophobicContact SD-CG 4.46Å; W319-Q322 PolarHBondContact O-N 2.93Å; W319-Q322 VanDerWaalsContact O-N 3.13Å; Q322-Y325 WeakPolarHBondContact O-CB 3.23Å
323I88.4Confident88.6Confident4 Ų435 Ų352%0.02117%0.165CC..Hα-helixtrans-61.2-52.6177.2-64-70.8000111A240 W319 K320 Y325 K393A240-I323 HydrophobicContact CB-CD1 3.69Å; A240-I323 HydrophobicContact CB-CG1 4.47Å; W319-I323 HydrophobicContact CD2-CG1 4.09Å; W319-I323 VanDerWaalsContact CE2-CG1 3.43Å; W319-I323 HydrophobicContact CH2-CG1 4.13Å; W319-I323 HydrophobicContact CZ2-CD1 3.78Å; W319-I323 HydrophobicContact CZ2-CG1 3.44Å; W319-I323 VanDerWaalsContact CZ2-CG1 3.44Å; W319-I323 WeakPolarHBondContact O-CG1 3.46Å; W319-I323 PolarHBondContact O-N 3.17Å; K320-I323 PolarHBondContact O-N 3.21Å; I323-Y325 VanDerWaalsContact C-N 3.31Å; I323-Y325 PolarHBondContact O-N 3.42Å; I323-K393 HydrophobicContact CD1-CB 3.77Å; I323-K393 VanDerWaalsContact CD1-O 3.26Å; I323-K393 WeakPolarHBondContact CD1-O 3.28Å; I323-K393 HydrophobicContact CG2-CB 4.42Å; I323-K393 WeakPolarHBondContact O-CD 3.31Å; I323-K393 PolarHBondContact O-NZ 3.03Å
324F89.9Confident88.9Confident104 Ų10434.5 Ų34.546%0.45616%0.163SC..Hα-helixtrans-87.21.1-174.6-67.1-76.1000113.8K320 K326 L390K320-F324 HydrophobicContact CG-CD2 4.17Å; K320-F324 WeakPolarHBondContact O-CD2 3.35Å; K320-F324 PolarHBondContact O-N 2.92Å; K320-F324 VanDerWaalsContact O-N 3.11Å; F324-K326 PolarHBondContact O-N 3.46Å; F324-L390 HydrophobicContact CD1-CD1 4.36Å; F324-L390 HydrophobicContact CE1-CD1 3.7Å; F324-L390 HydrophobicContact CZ-CD1 4.36Å
325Y90.3Very high89.1Confident0 Ų032.5 Ų32.50%016%0.155CC..  trans-52128.9178.6177.6-105.6000112P34 V35 N321 Q322 I323 P327 Y330 Q332 I340 F385P34-Y325 HydrophobicContact CB-CE2 4.35Å; P34-Y325 HydrophobicContact CG-CD1 4.5Å; P34-Y325 HydrophobicContact CG-CD2 4.35Å; P34-Y325 HydrophobicContact CG-CE1 3.88Å; P34-Y325 HydrophobicContact CG-CE2 3.71Å; P34-Y325 VanDerWaalsContact CG-CZ 3.45Å; V35-Y325 HydrophobicContact CG2-CD2 3.73Å; V35-Y325 HydrophobicContact CG2-CE2 3.9Å; N321-Y325 WeakPolarHBondContact O-CA 3.46Å; N321-Y325 VanDerWaalsContact O-CB 3.26Å; N321-Y325 WeakPolarHBondContact O-CB 3.28Å; N321-Y325 PolarHBondContact O-N 3.34Å; Q322-Y325 WeakPolarHBondContact O-CB 3.23Å; I323-Y325 VanDerWaalsContact C-N 3.31Å; I323-Y325 PolarHBondContact O-N 3.42Å; Y325-P327 HydrophobicContact CE1-CG 3.78Å; Y325-Y330 AromaticContact CD2-CD2 3.62Å; Y325-Y330 HydrophobicContact CD2-CD2 3.62Å; Y325-Y330 AromaticContact CD2-CE2 3.68Å; Y325-Y330 HydrophobicContact CD2-CE2 3.68Å; Y325-Y330 AromaticContact CE2-CD2 3.59Å; Y325-Y330 HydrophobicContact CE2-CD2 3.59Å; Y325-Y330 HydrophobicContact CE2-CE2 4.15Å; Y325-Y330 HydrophobicContact CE2-CG 4.24Å; Y325-Q332 PolarHBondContact OH-OE1 3.47Å; Y325-I340 HydrophobicContact CE1-CD1 3.99Å; Y325-F385 AromaticContact CD1-CD2 3.67Å; Y325-F385 HydrophobicContact CD1-CD2 3.67Å; Y325-F385 AromaticContact CD1-CE2 3.98Å; Y325-F385 HydrophobicContact CD1-CE2 3.98Å; Y325-F385 AromaticContact CE1-CD2 3.71Å; Y325-F385 HydrophobicContact CE1-CD2 3.71Å; Y325-F385 HydrophobicContact CE1-CE2 4.36Å; Y325-F385 HydrophobicContact CE1-CG 4.47Å; Y325-F385 WeakPolarHBondContact O-CE2 3.41Å
326K89.8Confident89.1Confident79 Ų7935.7 Ų35.734%0.34318%0.176SC..  trans-139.9121.3170.9-60.4-178.3-134.183.70107.6F324 H328 E329F324-K326 PolarHBondContact O-N 3.46Å; K326-H328 VanDerWaalsContact C-N 3.26Å; K326-H328 PolarHBondContact O-N 3.46Å; K326-H328 VanDerWaalsContact O-N 3.09Å; K326-E329 HydrophobicContact CB-CG 4.3Å; K326-E329 IonicContact NZ-OE1 2.73Å; K326-E329 PolarHBondContact NZ-OE1 2.88Å; K326-E329 IonicContact NZ-OE2 2.71Å; K326-E329 PolarHBondContact NZ-OE2 3.44Å; K326-E329 PolarHBondContact O-N 3.29Å; K326-E329 VanDerWaalsContact O-N 3.08Å
327P90.6Very high89Confident7 Ų735.4 Ų35.45%0.04519%0.188CC..G310 helixtrans-49.2-43.8-174.5-30.833.9000114.3Y325 E329 Y330 G331 Q332 I334 F385Y325-P327 HydrophobicContact CE1-CG 3.78Å; P327-E329 PolarHBondContact O-N 3.3Å; P327-E329 VanDerWaalsContact O-N 3.13Å; P327-Y330 CarbonylContact O-C 3.53Å; P327-Y330 PolarHBondContact O-N 2.99Å; P327-G331 PolarHBondContact O-N 3.11Å; P327-Q332 CarbonylContact C-O 3.54Å; P327-Q332 HydrophobicContact CB-CB 3.74Å; P327-Q332 WeakPolarHBondContact CB-O 3.36Å; P327-Q332 WeakPolarHBondContact O-CA 3.36Å; P327-Q332 WeakPolarHBondContact O-CB 3.26Å; P327-Q332 PolarHBondContact O-N 2.72Å; P327-Q332 VanDerWaalsContact O-O 3.12Å; P327-I334 HydrophobicContact CG-CG1 4.16Å; P327-F385 HydrophobicContact CG-CB 4.03Å; P327-F385 HydrophobicContact CG-CD1 4.16Å; P327-F385 HydrophobicContact CG-CD2 4.06Å; P327-F385 HydrophobicContact CG-CG 3.8Å
328H88.1Confident89.2Confident58 Ų5838 Ų3827%0.26920%0.199SC..G310 helixtrans-64.6-21.8-174.477.2-90.4000114.8K326 Y330 Q332 R354 L357K326-H328 VanDerWaalsContact C-N 3.26Å; K326-H328 PolarHBondContact O-N 3.46Å; K326-H328 VanDerWaalsContact O-N 3.09Å; H328-Y330 VanDerWaalsContact C-N 3.29Å; H328-Q332 WeakPolarHBondContact CA-O 3.29Å; H328-Q332 PolarHBondContact N-O 3.41Å; H328-R354 PolarHBondContact NE2-NE 3.27Å; H328-R354 PolarHBondContact NE2-NH2 3Å; H328-L357 HydrophobicContact CB-CD2 4.09Å
329E87.4Confident89.4Confident88 Ų8838 Ų3841%0.41120%0.199SC..G310 helixtrans-79-18.3176.9-64.3173.5178.200111.5K326 P327K326-E329 HydrophobicContact CB-CG 4.3Å; K326-E329 IonicContact NZ-OE1 2.73Å; K326-E329 PolarHBondContact NZ-OE1 2.88Å; K326-E329 IonicContact NZ-OE2 2.71Å; K326-E329 PolarHBondContact NZ-OE2 3.44Å; K326-E329 PolarHBondContact O-N 3.29Å; K326-E329 VanDerWaalsContact O-N 3.08Å; P327-E329 PolarHBondContact O-N 3.3Å; P327-E329 VanDerWaalsContact O-N 3.13Å
330Y88.9Confident89.5Confident30 Ų3036.6 Ų36.612%0.11819%0.193CC..G310 helixtrans-107.113.8179.8-67.1-76.3000113.3V35 S38 Y325 P327 H328 Q332V35-Y330 HydrophobicContact CB-CD1 4.36Å; V35-Y330 HydrophobicContact CB-CE1 4.29Å; V35-Y330 HydrophobicContact CG1-CD1 3.72Å; V35-Y330 HydrophobicContact CG1-CE1 3.49Å; V35-Y330 VanDerWaalsContact CG1-CE1 3.49Å; V35-Y330 HydrophobicContact CG2-CD1 3.95Å; V35-Y330 HydrophobicContact CG2-CD2 4.15Å; V35-Y330 HydrophobicContact CG2-CE1 3.78Å; V35-Y330 HydrophobicContact CG2-CE2 4Å; V35-Y330 HydrophobicContact CG2-CG 4.12Å; S38-Y330 WeakPolarHBondContact CB-O 3.08Å; S38-Y330 PolarHBondContact OG-O 2.87Å; Y325-Y330 AromaticContact CD2-CD2 3.62Å; Y325-Y330 HydrophobicContact CD2-CD2 3.62Å; Y325-Y330 AromaticContact CD2-CE2 3.68Å; Y325-Y330 HydrophobicContact CD2-CE2 3.68Å; Y325-Y330 AromaticContact CE2-CD2 3.59Å; Y325-Y330 HydrophobicContact CE2-CD2 3.59Å; Y325-Y330 HydrophobicContact CE2-CE2 4.15Å; Y325-Y330 HydrophobicContact CE2-CG 4.24Å; P327-Y330 CarbonylContact O-C 3.53Å; P327-Y330 PolarHBondContact O-N 2.99Å; H328-Y330 VanDerWaalsContact C-N 3.29Å; Y330-Q332 VanDerWaalsContact C-N 3.28Å; Y330-Q332 PolarHBondContact O-N 3.46Å
331G89Confident89.6Confident1 Ų135.7 Ų35.71%0.0119%0.189CC..THydrogen-bonded Turntrans69.227.8-176.600000113.2P327 V343P327-G331 PolarHBondContact O-N 3.11Å; G331-V343 WeakPolarHBondContact O-CB 3.47Å; G331-V343 PolarHBondContact O-N 2.92Å; G331-V343 VanDerWaalsContact O-N 3.14Å
332Q92.3Very high89.7Confident0 Ų035.4 Ų35.40%019%0.187CC..EExtended strand (participates in β ladder)trans-118.9156.1-176.2-66.8167.8-31.900111.2P34 Y325 P327 H328 Y330 I340 Y341 T342P34-Q332 PolarHBondContact O-NE2 3.14Å; Y325-Q332 PolarHBondContact OH-OE1 3.47Å; P327-Q332 CarbonylContact C-O 3.54Å; P327-Q332 HydrophobicContact CB-CB 3.74Å; P327-Q332 WeakPolarHBondContact CB-O 3.36Å; P327-Q332 WeakPolarHBondContact O-CA 3.36Å; P327-Q332 WeakPolarHBondContact O-CB 3.26Å; P327-Q332 PolarHBondContact O-N 2.72Å; P327-Q332 VanDerWaalsContact O-O 3.12Å; H328-Q332 WeakPolarHBondContact CA-O 3.29Å; H328-Q332 PolarHBondContact N-O 3.41Å; Y330-Q332 VanDerWaalsContact C-N 3.28Å; Y330-Q332 PolarHBondContact O-N 3.46Å; Q332-I340 HydrophobicContact CB-CG2 3.92Å; Q332-I340 HydrophobicContact CG-CG2 4.19Å; Q332-Y341 CarbonylContact C-O 3.6Å; Q332-Y341 WeakPolarHBondContact CA-O 3.48Å; Q332-Y341 WeakPolarHBondContact CB-O 3.42Å; Q332-T342 HydrophobicContact CG-CG2 3.78Å; Q332-T342 WeakPolarHBondContact CG-OG1 3.48Å; Q332-T342 PolarHBondContact NE2-OG1 2.65Å
333Y91.9Very high89.8Confident6 Ų635.5 Ų35.52%0.02419%0.188CC..EExtended strand (participates in β ladder)trans-138.7168.1177.262.2-82000111.3Y341 V343 L357 W359 V375 D378Y333-Y341 HydrophobicContact CE2-CD2 4.39Å; Y333-Y341 AromaticContact CE2-CG 3.98Å; Y333-Y341 HydrophobicContact CE2-CG 3.98Å; Y333-Y341 PolarHBondContact N-O 2.95Å; Y333-Y341 PolarHBondContact O-N 3.4Å; Y333-V343 HydrophobicContact CD1-CG2 4.14Å; Y333-V343 HydrophobicContact CE1-CG2 3.92Å; Y333-L357 WeakPolarHBondContact CB-O 3.41Å; Y333-L357 HydrophobicContact CD1-CD1 3.97Å; Y333-W359 HydrophobicContact CD2-CB 4.15Å; Y333-W359 HydrophobicContact CE2-CB 4.22Å; Y333-W359 HydrophobicContact CE2-CE3 4.12Å; Y333-V375 WeakPolarHBondContact OH-CG2 3.44Å; Y333-D378 HydrophobicContact CE1-CB 4.5Å; Y333-D378 VanDerWaalsContact CE1-OD2 3.28Å; Y333-D378 WeakPolarHBondContact CE1-OD2 3.49Å; Y333-D378 PolarHBondContact OH-OD2 2.93Å
334I92.5Very high89.6Confident78 Ų7840.5 Ų40.540%0.421%0.209SC..EExtended strand (participates in β ladder)trans-101.4130-177.2-50.8162000108P327 W359 F385P327-I334 HydrophobicContact CG-CG1 4.16Å; I334-W359 WeakPolarHBondContact O-CB 3.42Å; I334-F385 HydrophobicContact CD1-CD1 3.54Å; I334-F385 HydrophobicContact CD1-CE1 4.13Å; I334-F385 HydrophobicContact CD1-CG 4.47Å; I334-F385 HydrophobicContact CG1-CB 4.46Å; I334-F385 HydrophobicContact CG1-CD1 4.17Å
335G90.4Very high89.2Confident11 Ų1137.9 Ų37.911%0.11320%0.2CC..  trans-114.4-166.7172.400000112.9Q338 K339G335-Q338 PolarHBondContact O-N 3.07Å; G335-K339 PolarHBondContact N-O 3.4Å
336P88.5Confident88.5Confident75 Ų7541.2 Ų41.249%0.48722%0.224SC..G310 helixtrans-51.7142.2-179.3-28.535.8000113.4Q338 K339 W359P336-Q338 VanDerWaalsContact C-N 3.27Å; P336-Q338 PolarHBondContact O-N 3.11Å; P336-K339 PolarHBondContact O-N 2.87Å; P336-W359 HydrophobicContact CG-CD2 4.33Å; P336-W359 HydrophobicContact CG-CH2 4.24Å; P336-W359 HydrophobicContact CG-CZ2 3.83Å
337G85.9Confident87.9Confident57 Ų5742.4 Ų42.459%0.58823%0.23SC*.G310 helixtrans66.924-179.800000115K339G337-K339 PolarHBondContact O-N 2.88Å
338Q89.5Confident87.2Confident88 Ų8843.5 Ų43.541%0.41124%0.238SC..G310 helixtrans6024.7-177.9-69.7171.1-44.200113.9G335 P336 R384 F385 I386G335-Q338 PolarHBondContact O-N 3.07Å; P336-Q338 VanDerWaalsContact C-N 3.27Å; P336-Q338 PolarHBondContact O-N 3.11Å; Q338-R384 VanDerWaalsContact O-CA 3.23Å; Q338-R384 WeakPolarHBondContact O-CA 3.45Å; Q338-F385 PolarHBondContact O-N 2.92Å; Q338-I386 PolarHBondContact NE2-O 3.48Å
339K89.9Confident86.8Confident26 Ų2641.8 Ų41.811%0.11323%0.231CC..EExtended strand (participates in β ladder)trans-79.3145.2179-64.1-61.2-174.9-170.90111.7G335 P336 G337 Y341 F380 H382 R384G335-K339 PolarHBondContact N-O 3.4Å; P336-K339 PolarHBondContact O-N 2.87Å; G337-K339 PolarHBondContact O-N 2.88Å; K339-Y341 HydrophobicContact CB-CE2 4.3Å; K339-F380 HydrophobicContact CB-CD2 4.44Å; K339-F380 HydrophobicContact CB-CE2 3.74Å; K339-F380 HydrophobicContact CB-CZ 4.4Å; K339-F380 HydrophobicContact CD-CE2 4.41Å; K339-F380 HydrophobicContact CD-CZ 4.24Å; K339-F380 HydrophobicContact CG-CE2 3.78Å; K339-F380 HydrophobicContact CG-CZ 4.06Å; K339-H382 PolarHBondContact NZ-O 3.13Å; K339-R384 HydrophobicContact CD-CG 4.05Å
340I91.1Very high86.1Confident0 Ų044.7 Ų44.70%024%0.242CC..EExtended strand (participates in β ladder)trans-88.8135.2-179.6-60164.2000109.1P34 Y325 Q332 L381 S383 F385P34-I340 HydrophobicContact CB-CD1 3.82Å; P34-I340 HydrophobicContact CB-CG2 4.36Å; P34-I340 HydrophobicContact CG-CD1 3.83Å; Y325-I340 HydrophobicContact CE1-CD1 3.99Å; Q332-I340 HydrophobicContact CB-CG2 3.92Å; Q332-I340 HydrophobicContact CG-CG2 4.19Å; I340-L381 HydrophobicContact CB-CB 4.41Å; I340-L381 HydrophobicContact CB-CD1 4.36Å; I340-L381 HydrophobicContact CG2-CD1 4.06Å; I340-L381 WeakPolarHBondContact O-CB 3.48Å; I340-L381 PolarHBondContact O-N 3.36Å; I340-S383 PolarHBondContact N-O 2.88Å; I340-F385 HydrophobicContact CD1-CB 4.21Å; I340-F385 HydrophobicContact CG1-CB 4.07Å
341Y90.7Very high85.1Confident30 Ų3048.4 Ų48.412%0.11826%0.264CS..EExtended strand (participates in β ladder)trans-117.2133171.9-72.8-104.3000109.1Q332 Y333 K339 W359 V375 M379 F380Q332-Y341 CarbonylContact C-O 3.6Å; Q332-Y341 WeakPolarHBondContact CA-O 3.48Å; Q332-Y341 WeakPolarHBondContact CB-O 3.42Å; Y333-Y341 HydrophobicContact CE2-CD2 4.39Å; Y333-Y341 AromaticContact CE2-CG 3.98Å; Y333-Y341 HydrophobicContact CE2-CG 3.98Å; Y333-Y341 PolarHBondContact N-O 2.95Å; Y333-Y341 PolarHBondContact O-N 3.4Å; K339-Y341 HydrophobicContact CB-CE2 4.3Å; Y341-W359 HydrophobicContact CD1-CZ3 4.42Å; Y341-W359 HydrophobicContact CD2-CE3 4.44Å; Y341-W359 HydrophobicContact CE1-CE3 4.49Å; Y341-W359 AromaticContact CE1-CZ3 3.77Å; Y341-W359 HydrophobicContact CE1-CZ3 3.77Å; Y341-W359 HydrophobicContact CE2-CE3 4.12Å; Y341-W359 AromaticContact CE2-CZ3 3.94Å; Y341-W359 HydrophobicContact CE2-CZ3 3.94Å; Y341-W359 AromaticContact CZ-CZ3 3.49Å; Y341-W359 VanDerWaalsContact CZ-CZ3 3.49Å; Y341-V375 HydrophobicContact CE1-CG1 4.49Å; Y341-M379 CarbonylContact C-O 3.58Å; Y341-M379 WeakPolarHBondContact CA-O 3.29Å; Y341-F380 HydrophobicContact CD1-CB 4.44Å; Y341-F380 HydrophobicContact CE1-CB 4.13Å; Y341-F380 AromaticContact CE1-CD2 3.99Å; Y341-F380 HydrophobicContact CE1-CD2 3.99Å; Y341-F380 HydrophobicContact CE2-CD2 4.09Å; Y341-F380 AromaticContact CZ-CD2 3.64Å
342T90.3Very high84Confident1 Ų152.6 Ų52.61%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-109124.1-178.9-49.50000111.1H37 Q332 K344 M379H37-T342 WeakPolarHBondContact O-CG2 3.11Å; Q332-T342 HydrophobicContact CG-CG2 3.78Å; Q332-T342 WeakPolarHBondContact CG-OG1 3.48Å; Q332-T342 PolarHBondContact NE2-OG1 2.65Å; T342-K344 PolarHBondContact O-N 2.77Å; T342-M379 PolarHBondContact N-O 3.34Å; T342-M379 PolarHBondContact O-N 2.82Å
343V89.6Confident83.5Confident2 Ų256.2 Ų56.21%0.01231%0.305CS..  trans-71123175.6177.60000109.8G331 Y333 D345 L349 L357 D378G331-V343 WeakPolarHBondContact O-CB 3.47Å; G331-V343 PolarHBondContact O-N 2.92Å; G331-V343 VanDerWaalsContact O-N 3.14Å; Y333-V343 HydrophobicContact CD1-CG2 4.14Å; Y333-V343 HydrophobicContact CE1-CG2 3.92Å; V343-D345 HydrophobicContact CG1-CB 4.21Å; V343-L349 HydrophobicContact CB-CD2 4.12Å; V343-L349 HydrophobicContact CB-CG 4.31Å; V343-L349 HydrophobicContact CG1-CD1 4.26Å; V343-L349 HydrophobicContact CG1-CD2 4.2Å; V343-L349 HydrophobicContact CG1-CG 3.89Å; V343-L357 HydrophobicContact CG2-CD1 3.54Å; V343-D378 WeakPolarHBondContact CA-OD1 3.33Å
344K84.2Confident82.8Confident109 Ų10964.2 Ų64.247%0.47434%0.335SS..  trans-93.9-18.6175.1-80-175.5160.7-178.90113.8T342 S346 M379T342-K344 PolarHBondContact O-N 2.77Å; K344-S346 PolarHBondContact O-N 3.05Å; K344-M379 HydrophobicContact CD-CB 4.23Å; K344-M379 HydrophobicContact CG-CB 4.4Å
345D81.9Confident82.2Confident49 Ų4964.8 Ų64.826%0.26234%0.343SS..  trans-75.4112-179.8171.229.1000111.8V343 E347 S348 L349V343-D345 HydrophobicContact CG1-CB 4.21Å; D345-E347 PolarHBondContact O-N 3.33Å; D345-E347 WeakPolarHBondContact OD1-CB 3.43Å; D345-E347 PolarHBondContact OD1-N 3.3Å; D345-S348 PolarHBondContact O-N 2.84Å; D345-S348 WeakPolarHBondContact OD2-CB 3.11Å; D345-S348 PolarHBondContact OD2-N 3.08Å; D345-S348 PolarHBondContact OD2-OG 3.39Å; D345-L349 WeakPolarHBondContact O-CG 3.39Å; D345-L349 PolarHBondContact O-N 2.86Å
346S76.4Confident81.9Confident70 Ų7068 Ų6849%0.4935%0.354SS..THydrogen-bonded Turntrans-64.8-16.8175.5-57.70000114.1K344 K350K344-S346 PolarHBondContact O-N 3.05Å; S346-K350 WeakPolarHBondContact O-CG 3.42Å
347E77.1Confident81.8Confident104 Ų10465.5 Ų65.549%0.48634%0.336SS..THydrogen-bonded Turntrans-80.5-49.6174.7-173.8142.8-107.900111.2D345 L349 K350 Q369D345-E347 PolarHBondContact O-N 3.33Å; D345-E347 WeakPolarHBondContact OD1-CB 3.43Å; D345-E347 PolarHBondContact OD1-N 3.3Å; E347-L349 PolarHBondContact O-N 3.46Å; E347-K350 PolarHBondContact O-N 2.91Å; E347-K350 VanDerWaalsContact O-N 3.14Å; E347-K350 IonicContact OE1-NZ 3.31Å; E347-K350 PolarHBondContact OE1-NZ 3.28Å; E347-Q369 PolarHBondContact OE2-NE2 3.47Å
348S75.1Confident81.9Confident30 Ų3064.5 Ų64.521%0.2132%0.32CS..THydrogen-bonded Turntrans-50.5-29169.1-70.70000113.8D345 R362D345-S348 PolarHBondContact O-N 2.84Å; D345-S348 WeakPolarHBondContact OD2-CB 3.11Å; D345-S348 PolarHBondContact OD2-N 3.08Å; D345-S348 PolarHBondContact OD2-OG 3.39Å; S348-R362 PolarHBondContact OG-NH1 3.35Å; S348-R362 VanDerWaalsContact OG-NH1 3.08Å
349L79.3Confident81.9Confident23 Ų2364 Ų6412%0.1231%0.314CS..THydrogen-bonded Turntrans-89.5-10.2-176.1-71.3169.7000115.3Q39 T40 V343 D345 E347 L352Q39-L349 HydrophobicContact CB-CD1 3.55Å; Q39-L349 HydrophobicContact CG-CD1 4.45Å; T40-L349 HydrophobicContact CG2-CD2 4.14Å; V343-L349 HydrophobicContact CB-CD2 4.12Å; V343-L349 HydrophobicContact CB-CG 4.31Å; V343-L349 HydrophobicContact CG1-CD1 4.26Å; V343-L349 HydrophobicContact CG1-CD2 4.2Å; V343-L349 HydrophobicContact CG1-CG 3.89Å; D345-L349 WeakPolarHBondContact O-CG 3.39Å; D345-L349 PolarHBondContact O-N 2.86Å; E347-L349 PolarHBondContact O-N 3.46Å; L349-L352 HydrophobicContact CD2-CD2 4.09Å
350K73.2Confident81.9Confident148 Ų14870 Ų7064%0.64334%0.342SS*.THydrogen-bonded Turntrans-68.1-45.8172.1-66.4164.6-167.6166.30110.5S346 E347S346-K350 WeakPolarHBondContact O-CG 3.42Å; E347-K350 PolarHBondContact O-N 2.91Å; E347-K350 VanDerWaalsContact O-N 3.14Å; E347-K350 IonicContact OE1-NZ 3.31Å; E347-K350 PolarHBondContact OE1-NZ 3.28Å
351D67.6Low81.9Confident109 Ų10973 Ų7358%0.58335%0.354SS*.SBendtrans-101.475.7179.7-68-14.8000110.4N353D351-N353 PolarHBondContact O-N 3.48Å
352L67.4Low81.8Confident88 Ų8871.8 Ų71.846%0.46135%0.349SS..  trans-6664.5178.4-87.7164000113.4T40 L349 L357T40-L352 HydrophobicContact CG2-CD1 4.3Å; L349-L352 HydrophobicContact CD2-CD2 4.09Å; L352-L357 HydrophobicContact CD2-CD2 3.94Å
353N80.7Confident81.8Confident77 Ų7773.2 Ų73.241%0.41236%0.359SS..  trans-86.7121.3175.9-172.6-17.8000110.4D351 T355 K356 L357D351-N353 PolarHBondContact O-N 3.48Å; N353-T355 PolarHBondContact ND2-OG1 2.94Å; N353-T355 PolarHBondContact O-N 3.5Å; N353-T355 VanDerWaalsContact O-N 3.11Å; N353-T355 PolarHBondContact OD1-N 3.01Å; N353-T355 VanDerWaalsContact OD1-N 3.07Å; N353-T355 PolarHBondContact OD1-OG1 3.06Å; N353-T355 VanDerWaalsContact OD1-OG1 3.06Å; N353-K356 HydrophobicContact CB-CB 4.42Å; N353-K356 HydrophobicContact CB-CD 4.37Å; N353-K356 HydrophobicContact CB-CG 4.26Å; N353-K356 PolarHBondContact O-N 3.03Å; N353-L357 PolarHBondContact O-N 2.66Å
354R77.3Confident81.8Confident174 Ų17479 Ų7966%0.65739%0.39SS*.THydrogen-bonded Turntrans-55.7-26.2179.2-72.9-178171.5171.8-0.6114.3H328H328-R354 PolarHBondContact NE2-NE 3.27Å; H328-R354 PolarHBondContact NE2-NH2 3Å
355T80.9Confident82Confident90 Ų9077.7 Ų77.755%0.55239%0.385SS*.THydrogen-bonded Turntrans-73.8-43.5175.561.60000111.8N353 L357 S358 W361N353-T355 PolarHBondContact ND2-OG1 2.94Å; N353-T355 PolarHBondContact O-N 3.5Å; N353-T355 VanDerWaalsContact O-N 3.11Å; N353-T355 PolarHBondContact OD1-N 3.01Å; N353-T355 VanDerWaalsContact OD1-N 3.07Å; N353-T355 PolarHBondContact OD1-OG1 3.06Å; N353-T355 VanDerWaalsContact OD1-OG1 3.06Å; T355-L357 VanDerWaalsContact C-N 3.33Å; T355-S358 PolarHBondContact O-OG 2.68Å; T355-W361 VanDerWaalsContact O-CB 3.26Å; T355-W361 WeakPolarHBondContact O-CB 3.25Å
356K83.3Confident82.2Confident79 Ų7979 Ų7934%0.34340%0.396SS..THydrogen-bonded Turntrans-68.2-31.5174.9-63.9-175.8-178.9176.20112.4N353 S358 W361 R362N353-K356 HydrophobicContact CB-CB 4.42Å; N353-K356 HydrophobicContact CB-CD 4.37Å; N353-K356 HydrophobicContact CB-CG 4.26Å; N353-K356 PolarHBondContact O-N 3.03Å; K356-S358 PolarHBondContact O-N 2.75Å; K356-S358 VanDerWaalsContact O-N 3.13Å; K356-W361 HydrophobicContact CB-CD2 4.14Å; K356-W361 HydrophobicContact CB-CE3 4.01Å; K356-W361 HydrophobicContact CB-CZ3 4.26Å; K356-W361 HydrophobicContact CG-CD2 4.23Å; K356-W361 HydrophobicContact CG-CE3 4.42Å; K356-W361 HydrophobicContact CG-CH2 4.36Å; K356-W361 HydrophobicContact CG-CZ2 4.13Å; K356-W361 HydrophobicContact CG-CZ3 4.49Å; K356-R362 WeakPolarHBondContact O-CD 3.16Å; K356-R362 WeakPolarHBondContact O-CG 3.42Å
357L86.2Confident82.5Confident22 Ų2276.8 Ų76.812%0.11538%0.378CS..SBendtrans-87.554.6178.1-16563.7000111.4H328 Y333 V343 L352 N353 T355H328-L357 HydrophobicContact CB-CD2 4.09Å; Y333-L357 WeakPolarHBondContact CB-O 3.41Å; Y333-L357 HydrophobicContact CD1-CD1 3.97Å; V343-L357 HydrophobicContact CG2-CD1 3.54Å; L352-L357 HydrophobicContact CD2-CD2 3.94Å; N353-L357 PolarHBondContact O-N 2.66Å; T355-L357 VanDerWaalsContact C-N 3.33Å
358S88.8Confident82.8Confident35 Ų3576.8 Ų76.825%0.24539%0.387CS..SBendtrans-137153.417969.30000111T355 K356 W361 R362T355-S358 PolarHBondContact O-OG 2.68Å; K356-S358 PolarHBondContact O-N 2.75Å; K356-S358 VanDerWaalsContact O-N 3.13Å; S358-W361 PolarHBondContact O-N 3.41Å; S358-W361 VanDerWaalsContact OG-CB 3.26Å; S358-W361 WeakPolarHBondContact OG-CB 3.47Å; S358-W361 PolarHBondContact OG-N 3.13Å; S358-R362 WeakPolarHBondContact O-CB 3.31Å; S358-R362 WeakPolarHBondContact O-CG 2.88Å; S358-R362 PolarHBondContact O-N 3.35Å
359W88.8Confident83.2Confident78 Ų7882.5 Ų82.530%0.29541%0.41SS..Hα-helixtrans-58.9-49.3174.9171.1-93000111.2Y333 I334 P336 Y341 W361 R362 S363 V375Y333-W359 HydrophobicContact CD2-CB 4.15Å; Y333-W359 HydrophobicContact CE2-CB 4.22Å; Y333-W359 HydrophobicContact CE2-CE3 4.12Å; I334-W359 WeakPolarHBondContact O-CB 3.42Å; P336-W359 HydrophobicContact CG-CD2 4.33Å; P336-W359 HydrophobicContact CG-CH2 4.24Å; P336-W359 HydrophobicContact CG-CZ2 3.83Å; Y341-W359 HydrophobicContact CD1-CZ3 4.42Å; Y341-W359 HydrophobicContact CD2-CE3 4.44Å; Y341-W359 HydrophobicContact CE1-CE3 4.49Å; Y341-W359 AromaticContact CE1-CZ3 3.77Å; Y341-W359 HydrophobicContact CE1-CZ3 3.77Å; Y341-W359 HydrophobicContact CE2-CE3 4.12Å; Y341-W359 AromaticContact CE2-CZ3 3.94Å; Y341-W359 HydrophobicContact CE2-CZ3 3.94Å; Y341-W359 AromaticContact CZ-CZ3 3.49Å; Y341-W359 VanDerWaalsContact CZ-CZ3 3.49Å; W359-W361 VanDerWaalsContact C-N 3.29Å; W359-W361 PolarHBondContact O-N 3.5Å; W359-R362 PolarHBondContact O-N 3.06Å; W359-S363 WeakPolarHBondContact O-CB 3.14Å; W359-S363 PolarHBondContact O-N 2.98Å; W359-S363 PolarHBondContact O-OG 3.37Å; W359-S363 VanDerWaalsContact O-OG 3.1Å; W359-V375 HydrophobicContact CE3-CG2 3.97Å; W359-V375 HydrophobicContact CH2-CG1 3.9Å; W359-V375 HydrophobicContact CH2-CG2 4.42Å; W359-V375 HydrophobicContact CZ3-CB 4.48Å; W359-V375 HydrophobicContact CZ3-CG1 3.68Å; W359-V375 HydrophobicContact CZ3-CG2 3.85Å
360E89.9Confident83.3Confident151 Ų15185.2 Ų85.271%0.70643%0.428SS*.Hα-helixtrans-59.2-36.4-178.4-63.1174.7-176.900113.2N364E360-N364 WeakPolarHBondContact O-CB 3.3Å; E360-N364 PolarHBondContact O-ND2 2.91Å
361W90.3Very high84Confident63 Ų6384.8 Ų84.824%0.23943%0.433CS..Hα-helixtrans-74.3-50.5174.8-166.287.2000110.9T355 K356 S358 W359 S363 N364 H365 Y374T355-W361 VanDerWaalsContact O-CB 3.26Å; T355-W361 WeakPolarHBondContact O-CB 3.25Å; K356-W361 HydrophobicContact CB-CD2 4.14Å; K356-W361 HydrophobicContact CB-CE3 4.01Å; K356-W361 HydrophobicContact CB-CZ3 4.26Å; K356-W361 HydrophobicContact CG-CD2 4.23Å; K356-W361 HydrophobicContact CG-CE3 4.42Å; K356-W361 HydrophobicContact CG-CH2 4.36Å; K356-W361 HydrophobicContact CG-CZ2 4.13Å; K356-W361 HydrophobicContact CG-CZ3 4.49Å; S358-W361 PolarHBondContact O-N 3.41Å; S358-W361 VanDerWaalsContact OG-CB 3.26Å; S358-W361 WeakPolarHBondContact OG-CB 3.47Å; S358-W361 PolarHBondContact OG-N 3.13Å; W359-W361 VanDerWaalsContact C-N 3.29Å; W359-W361 PolarHBondContact O-N 3.5Å; W361-S363 VanDerWaalsContact C-N 3.35Å; W361-S363 PolarHBondContact O-N 2.8Å; W361-N364 PolarHBondContact O-N 3.22Å; W361-H365 AromaticContact CD1-CE1 3.29Å; W361-H365 AromaticContact CD1-ND1 3.56Å; W361-H365 AromaticContact CD1-NE2 3.81Å; W361-H365 HydrophobicContact CD2-CB 4.34Å; W361-H365 AromaticContact CD2-CG 3.92Å; W361-H365 AromaticContact CD2-ND1 3.76Å; W361-H365 AromaticContact CE2-CD2 3.59Å; W361-H365 AromaticContact CE2-CE1 3.78Å; W361-H365 AromaticContact CE2-CG 3.54Å; W361-H365 AromaticContact CE2-ND1 3.65Å; W361-H365 AromaticContact CE2-NE2 3.73Å; W361-H365 HydrophobicContact CE3-CB 4.36Å; W361-H365 AromaticContact CG-CE1 3.9Å; W361-H365 AromaticContact CG-ND1 3.7Å; W361-H365 HydrophobicContact CH2-CB 4.11Å; W361-H365 HydrophobicContact CZ2-CB 4.1Å; W361-H365 AromaticContact CZ2-CD2 3.61Å; W361-H365 AromaticContact CZ2-CG 3.74Å; W361-H365 HydrophobicContact CZ3-CB 4.25Å; W361-H365 AromaticContact NE1-CD2 3.59Å; W361-H365 AromaticContact NE1-CE1 3.18Å; W361-H365 PolarHBondContact NE1-CE1 2.94Å; W361-H365 AromaticContact NE1-CG 3.76Å; W361-H365 AromaticContact NE1-ND1 3.5Å; W361-H365 AromaticContact NE1-NE2 3.19Å; W361-H365 PolarHBondContact NE1-NE2 3.16Å; W361-H365 VanDerWaalsContact NE1-NE2 3.19Å; W361-H365 WeakPolarHBondContact O-CB 3.25Å; W361-H365 PolarHBondContact O-N 3.49Å; W361-H365 PolarHBondContact O-ND1 3.14Å; W361-Y374 HydrophobicContact CH2-CD2 4.19Å; W361-Y374 AromaticContact CH2-CE2 3.95Å; W361-Y374 HydrophobicContact CH2-CE2 3.95Å; W361-Y374 AromaticContact CZ3-CD2 3.83Å; W361-Y374 HydrophobicContact CZ3-CD2 3.83Å; W361-Y374 HydrophobicContact CZ3-CE2 4.04Å; W361-Y374 HydrophobicContact CZ3-CG 4.36Å
362R90.3Very high84.9Confident5 Ų584.8 Ų84.82%0.01943%0.428CS..Hα-helixtrans-74.2-20.2-172.4-64.1-176.973.184.8-3.8114.3S348 K356 S358 W359 Y374 V375 D378S348-R362 PolarHBondContact OG-NH1 3.35Å; S348-R362 VanDerWaalsContact OG-NH1 3.08Å; K356-R362 WeakPolarHBondContact O-CD 3.16Å; K356-R362 WeakPolarHBondContact O-CG 3.42Å; S358-R362 WeakPolarHBondContact O-CB 3.31Å; S358-R362 WeakPolarHBondContact O-CG 2.88Å; S358-R362 PolarHBondContact O-N 3.35Å; W359-R362 PolarHBondContact O-N 3.06Å; R362-Y374 PolarHBondContact O-N 3.24Å; R362-Y374 VanDerWaalsContact O-N 3.16Å; R362-V375 HydrophobicContact CB-CG2 3.91Å; R362-V375 PolarHBondContact O-N 2.85Å; R362-D378 IonicContact CZ-OD1 2.77Å; R362-D378 IonicContact CZ-OD2 3.23Å; R362-D378 IonicContact NE-OD1 3.66Å; R362-D378 IonicContact NE-OD2 3.4Å; R362-D378 PolarHBondContact NE-OD2 2.66Å; R362-D378 IonicContact NH2-OD1 3.07Å; R362-D378 PolarHBondContact NH2-OD1 2.93Å; R362-D378 IonicContact NH2-OD2 3.74Å; R362-D378 PolarHBondContact NH2-OD2 3.12Å
363S90.1Very high85.9Confident31 Ų3182.5 Ų82.522%0.21742%0.418CS..Hα-helixtrans-78.6-33.1171.969.90000112.7W359 W361 T373W359-S363 WeakPolarHBondContact O-CB 3.14Å; W359-S363 PolarHBondContact O-N 2.98Å; W359-S363 PolarHBondContact O-OG 3.37Å; W359-S363 VanDerWaalsContact O-OG 3.1Å; W361-S363 VanDerWaalsContact C-N 3.35Å; W361-S363 PolarHBondContact O-N 2.8Å; S363-T373 WeakPolarHBondContact O-CG2 3.36Å
364N90.1Very high86.2Confident125 Ų12580.7 Ų80.767%0.66841%0.405SS*.Hα-helixtrans-97.5-10.9-174.3-67-50.8000113.9E360 W361E360-N364 WeakPolarHBondContact O-CB 3.3Å; E360-N364 PolarHBondContact O-ND2 2.91Å; W361-N364 PolarHBondContact O-N 3.22Å
365H87.5Confident86.6Confident80 Ų8073.6 Ų73.637%0.3738%0.381SS..  trans-105.4130.8177.1-67.170.5000111.3W361 T373 Y374W361-H365 AromaticContact CD1-CE1 3.29Å; W361-H365 AromaticContact CD1-ND1 3.56Å; W361-H365 AromaticContact CD1-NE2 3.81Å; W361-H365 HydrophobicContact CD2-CB 4.34Å; W361-H365 AromaticContact CD2-CG 3.92Å; W361-H365 AromaticContact CD2-ND1 3.76Å; W361-H365 AromaticContact CE2-CD2 3.59Å; W361-H365 AromaticContact CE2-CE1 3.78Å; W361-H365 AromaticContact CE2-CG 3.54Å; W361-H365 AromaticContact CE2-ND1 3.65Å; W361-H365 AromaticContact CE2-NE2 3.73Å; W361-H365 HydrophobicContact CE3-CB 4.36Å; W361-H365 AromaticContact CG-CE1 3.9Å; W361-H365 AromaticContact CG-ND1 3.7Å; W361-H365 HydrophobicContact CH2-CB 4.11Å; W361-H365 HydrophobicContact CZ2-CB 4.1Å; W361-H365 AromaticContact CZ2-CD2 3.61Å; W361-H365 AromaticContact CZ2-CG 3.74Å; W361-H365 HydrophobicContact CZ3-CB 4.25Å; W361-H365 AromaticContact NE1-CD2 3.59Å; W361-H365 AromaticContact NE1-CE1 3.18Å; W361-H365 PolarHBondContact NE1-CE1 2.94Å; W361-H365 AromaticContact NE1-CG 3.76Å; W361-H365 AromaticContact NE1-ND1 3.5Å; W361-H365 AromaticContact NE1-NE2 3.19Å; W361-H365 PolarHBondContact NE1-NE2 3.16Å; W361-H365 VanDerWaalsContact NE1-NE2 3.19Å; W361-H365 WeakPolarHBondContact O-CB 3.25Å; W361-H365 PolarHBondContact O-N 3.49Å; W361-H365 PolarHBondContact O-ND1 3.14Å; H365-T373 WeakPolarHBondContact O-CA 3.38Å; H365-Y374 HydrophobicContact CB-CD2 4.08Å; H365-Y374 HydrophobicContact CB-CE2 4.43Å; H365-Y374 WeakPolarHBondContact O-CD2 3.39Å; H365-Y374 PolarHBondContact O-N 2.8Å
366T86.9Confident86.9Confident78 Ų7874.3 Ų74.348%0.47938%0.378SS..EExtended strand (participates in β ladder)trans-92.2135.6176.2-52.40000110N371 K372T366-N371 VanDerWaalsContact CG2-C 3.44Å; T366-K372 CarbonylContact C-O 3.55Å; T366-K372 WeakPolarHBondContact CA-O 3.44Å; T366-K372 WeakPolarHBondContact CG2-O 3.4Å
367N82.7Confident86.9Confident22 Ų2273 Ų7312%0.11839%0.387CS..EExtended strand (participates in β ladder)trans-74.6120.9171.6179.4-24.1000109.5Q369 T370 N371 K372 Y374N367-Q369 PolarHBondContact O-N 2.94Å; N367-Q369 WeakPolarHBondContact OD1-CB 3.49Å; N367-Q369 PolarHBondContact OD1-N 2.96Å; N367-T370 PolarHBondContact O-N 3.3Å; N367-N371 PolarHBondContact O-N 2.81Å; N367-K372 PolarHBondContact N-O 2.72Å; N367-Y374 HydrophobicContact CB-CD1 4.2Å; N367-Y374 HydrophobicContact CB-CD2 4.43Å; N367-Y374 HydrophobicContact CB-CE1 3.8Å; N367-Y374 HydrophobicContact CB-CE2 4.03Å
368P83.1Confident87Confident105 Ų10572.9 Ų72.968%0.68239%0.387SS*.THydrogen-bonded Turntrans-68.1-14.2-175.328.9-36.6000114.2
369Q82.3Confident86.9Confident149 Ų14973.3 Ų73.370%0.69639%0.385SS*.THydrogen-bonded Turntrans-85.2-24.7176.2-58.51791800112.7E347 N367E347-Q369 PolarHBondContact OE2-NE2 3.47Å; N367-Q369 PolarHBondContact O-N 2.94Å; N367-Q369 WeakPolarHBondContact OD1-CB 3.49Å; N367-Q369 PolarHBondContact OD1-N 2.96Å
370T82.9Confident86.8Confident80 Ų8073.3 Ų73.349%0.49139%0.388SS..THydrogen-bonded Turntrans-120.3-10.4-172.464.50000114.4N367 K372N367-T370 PolarHBondContact O-N 3.3Å; T370-K372 PolarHBondContact O-N 3Å
371N87.9Confident86.6Confident139 Ų13966.1 Ų66.174%0.74335%0.354SS*.THydrogen-bonded Turntrans54.126.8-173.6-70.1-31.7000114.4T366 N367T366-N371 VanDerWaalsContact CG2-C 3.44Å; N367-N371 PolarHBondContact O-N 2.81Å
372K86.1Confident86.3Confident110 Ų11065.3 Ų65.348%0.47835%0.353SS..EExtended strand (participates in β ladder)trans-118.7156.5176.6-71.9-177.2163.6-125.70111.5T366 N367 T370 E376T366-K372 CarbonylContact C-O 3.55Å; T366-K372 WeakPolarHBondContact CA-O 3.44Å; T366-K372 WeakPolarHBondContact CG2-O 3.4Å; N367-K372 PolarHBondContact N-O 2.72Å; T370-K372 PolarHBondContact O-N 3Å; K372-E376 HydrophobicContact CB-CB 4.31Å; K372-E376 VanDerWaalsContact CD-OE2 3.3Å; K372-E376 WeakPolarHBondContact CD-OE2 3.32Å; K372-E376 WeakPolarHBondContact CG-OE2 3.46Å; K372-E376 IonicContact NZ-OE2 3.43Å; K372-E376 PolarHBondContact NZ-OE2 2.66Å
373T87.9Confident86Confident40 Ų4065.4 Ų65.425%0.24535%0.354CS..EExtended strand (participates in β ladder)trans-61.5148.8172.160.80000110.3S363 H365 V375 E376S363-T373 WeakPolarHBondContact O-CG2 3.36Å; H365-T373 WeakPolarHBondContact O-CA 3.38Å; T373-V375 PolarHBondContact O-N 2.96Å; T373-E376 PolarHBondContact N-OE1 3.01Å; T373-E376 PolarHBondContact O-N 2.91Å; T373-E376 VanDerWaalsContact O-N 3.14Å; T373-E376 WeakPolarHBondContact OG1-CG 3.11Å; T373-E376 PolarHBondContact OG1-N 2.83Å; T373-E376 PolarHBondContact OG1-OE1 2.87Å
374Y86.1Confident86Confident39 Ų3967.9 Ų67.915%0.15336%0.359CS..Hα-helixtrans-60.9-33.9177.8-84.1-78.6000112.2W361 R362 H365 N367 E376 G377 D378W361-Y374 HydrophobicContact CH2-CD2 4.19Å; W361-Y374 AromaticContact CH2-CE2 3.95Å; W361-Y374 HydrophobicContact CH2-CE2 3.95Å; W361-Y374 AromaticContact CZ3-CD2 3.83Å; W361-Y374 HydrophobicContact CZ3-CD2 3.83Å; W361-Y374 HydrophobicContact CZ3-CE2 4.04Å; W361-Y374 HydrophobicContact CZ3-CG 4.36Å; R362-Y374 PolarHBondContact O-N 3.24Å; R362-Y374 VanDerWaalsContact O-N 3.16Å; H365-Y374 HydrophobicContact CB-CD2 4.08Å; H365-Y374 HydrophobicContact CB-CE2 4.43Å; H365-Y374 WeakPolarHBondContact O-CD2 3.39Å; H365-Y374 PolarHBondContact O-N 2.8Å; N367-Y374 HydrophobicContact CB-CD1 4.2Å; N367-Y374 HydrophobicContact CB-CD2 4.43Å; N367-Y374 HydrophobicContact CB-CE1 3.8Å; N367-Y374 HydrophobicContact CB-CE2 4.03Å; Y374-E376 VanDerWaalsContact C-N 3.31Å; Y374-E376 PolarHBondContact O-N 2.87Å; Y374-G377 PolarHBondContact O-N 2.97Å; Y374-G377 VanDerWaalsContact O-N 3.1Å; Y374-D378 VanDerWaalsContact O-CG 3.27Å; Y374-D378 PolarHBondContact O-N 2.81Å
375V87.7Confident86Confident25 Ų2563.3 Ų63.315%0.15233%0.333CS..Hα-helixtrans-56.4-37.5173.3161.40000113.2Y333 Y341 W359 R362 T373 G377 D378Y333-V375 WeakPolarHBondContact OH-CG2 3.44Å; Y341-V375 HydrophobicContact CE1-CG1 4.49Å; W359-V375 HydrophobicContact CE3-CG2 3.97Å; W359-V375 HydrophobicContact CH2-CG1 3.9Å; W359-V375 HydrophobicContact CH2-CG2 4.42Å; W359-V375 HydrophobicContact CZ3-CB 4.48Å; W359-V375 HydrophobicContact CZ3-CG1 3.68Å; W359-V375 HydrophobicContact CZ3-CG2 3.85Å; R362-V375 HydrophobicContact CB-CG2 3.91Å; R362-V375 PolarHBondContact O-N 2.85Å; T373-V375 PolarHBondContact O-N 2.96Å; V375-G377 PolarHBondContact O-N 3.33Å; V375-D378 PolarHBondContact O-N 3.21Å
376E85.5Confident86.2Confident104 Ų10463.3 Ų63.349%0.48634%0.335SS..Hα-helixtrans-66.9-23177.4-77.6168.5-97.100113.8K372 T373 Y374K372-E376 HydrophobicContact CB-CB 4.31Å; K372-E376 VanDerWaalsContact CD-OE2 3.3Å; K372-E376 WeakPolarHBondContact CD-OE2 3.32Å; K372-E376 WeakPolarHBondContact CG-OE2 3.46Å; K372-E376 IonicContact NZ-OE2 3.43Å; K372-E376 PolarHBondContact NZ-OE2 2.66Å; T373-E376 PolarHBondContact N-OE1 3.01Å; T373-E376 PolarHBondContact O-N 2.91Å; T373-E376 VanDerWaalsContact O-N 3.14Å; T373-E376 WeakPolarHBondContact OG1-CG 3.11Å; T373-E376 PolarHBondContact OG1-N 2.83Å; T373-E376 PolarHBondContact OG1-OE1 2.87Å; Y374-E376 VanDerWaalsContact C-N 3.31Å; Y374-E376 PolarHBondContact O-N 2.87Å
377G83.7Confident86.3Confident52 Ų5261.8 Ų61.854%0.53634%0.335SS..Hα-helixtrans-88-13.5175.900000113.9Y374 V375Y374-G377 PolarHBondContact O-N 2.97Å; Y374-G377 VanDerWaalsContact O-N 3.1Å; V375-G377 PolarHBondContact O-N 3.33Å
378D88.4Confident86.6Confident19 Ų1962 Ų6210%0.10234%0.34CS..SBendtrans-90154.7-174.8-65.5-28.1000112.3Y333 V343 R362 Y374 V375 F380Y333-D378 HydrophobicContact CE1-CB 4.5Å; Y333-D378 VanDerWaalsContact CE1-OD2 3.28Å; Y333-D378 WeakPolarHBondContact CE1-OD2 3.49Å; Y333-D378 PolarHBondContact OH-OD2 2.93Å; V343-D378 WeakPolarHBondContact CA-OD1 3.33Å; R362-D378 IonicContact CZ-OD1 2.77Å; R362-D378 IonicContact CZ-OD2 3.23Å; R362-D378 IonicContact NE-OD1 3.66Å; R362-D378 IonicContact NE-OD2 3.4Å; R362-D378 PolarHBondContact NE-OD2 2.66Å; R362-D378 IonicContact NH2-OD1 3.07Å; R362-D378 PolarHBondContact NH2-OD1 2.93Å; R362-D378 IonicContact NH2-OD2 3.74Å; R362-D378 PolarHBondContact NH2-OD2 3.12Å; Y374-D378 VanDerWaalsContact O-CG 3.27Å; Y374-D378 PolarHBondContact O-N 2.81Å; V375-D378 PolarHBondContact O-N 3.21Å; D378-F380 PolarHBondContact O-N 3.01Å
379M87Confident87Confident44 Ų4459.9 Ų59.922%0.21733%0.327CS..EExtended strand (participates in β ladder)trans-89.8107.7179.9-176.5177.6-144.100110.4H37 Y341 T342 K344 L381H37-M379 HydrophobicContact CB-SD 3.91Å; Y341-M379 CarbonylContact C-O 3.58Å; Y341-M379 WeakPolarHBondContact CA-O 3.29Å; T342-M379 PolarHBondContact N-O 3.34Å; T342-M379 PolarHBondContact O-N 2.82Å; K344-M379 HydrophobicContact CD-CB 4.23Å; K344-M379 HydrophobicContact CG-CB 4.4Å; M379-L381 HydrophobicContact CG-CD2 4.11Å; M379-L381 HydrophobicContact SD-CD2 4.35Å
380F86.9Confident87.3Confident78 Ų7857 Ų5734%0.34232%0.316SS..EExtended strand (participates in β ladder)trans-58.4142162.6174.2-94.3000110.8K339 Y341 D378K339-F380 HydrophobicContact CB-CD2 4.44Å; K339-F380 HydrophobicContact CB-CE2 3.74Å; K339-F380 HydrophobicContact CB-CZ 4.4Å; K339-F380 HydrophobicContact CD-CE2 4.41Å; K339-F380 HydrophobicContact CD-CZ 4.24Å; K339-F380 HydrophobicContact CG-CE2 3.78Å; K339-F380 HydrophobicContact CG-CZ 4.06Å; Y341-F380 HydrophobicContact CD1-CB 4.44Å; Y341-F380 HydrophobicContact CE1-CB 4.13Å; Y341-F380 AromaticContact CE1-CD2 3.99Å; Y341-F380 HydrophobicContact CE1-CD2 3.99Å; Y341-F380 HydrophobicContact CE2-CD2 4.09Å; Y341-F380 AromaticContact CZ-CD2 3.64Å; D378-F380 PolarHBondContact O-N 3.01Å
381L85.3Confident87.5Confident1 Ų158.9 Ų58.91%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-125.4142.5169.2-57.4178.4000110.7P34 H37 D225 I340 M379 S383P34-L381 HydrophobicContact CB-CD1 3.81Å; H37-L381 WeakPolarHBondContact CD2-CD2 3.26Å; D225-L381 HydrophobicContact CB-CD2 4.45Å; I340-L381 HydrophobicContact CB-CB 4.41Å; I340-L381 HydrophobicContact CB-CD1 4.36Å; I340-L381 HydrophobicContact CG2-CD1 4.06Å; I340-L381 WeakPolarHBondContact O-CB 3.48Å; I340-L381 PolarHBondContact O-N 3.36Å; M379-L381 HydrophobicContact CG-CD2 4.11Å; M379-L381 HydrophobicContact SD-CD2 4.35Å; L381-S383 VanDerWaalsContact C-N 3.25Å; L381-S383 PolarHBondContact O-N 2.85Å
382H83.7Confident87.6Confident46 Ų4655.2 Ų55.221%0.21331%0.306CS..EExtended strand (participates in β ladder)trans-68.6-21.4170.2-76.1-86.2000112.8D225 R229 K339D225-H382 PolarHBondContact O-CD2 3.5Å; D225-H382 VanDerWaalsContact O-CD2 3.3Å; D225-H382 WeakPolarHBondContact OD1-CB 3.26Å; D225-H382 IonicContact OD1-CD2 3.16Å; D225-H382 IonicContact OD1-CG 2.77Å; D225-H382 PolarHBondContact OD1-N 3.47Å; D225-H382 IonicContact OD2-CD2 2.68Å; D225-H382 PolarHBondContact OD2-CD2 3.03Å; D225-H382 VanDerWaalsContact OD2-CD2 3.29Å; D225-H382 PolarHBondContact OD2-N 3.35Å; R229-H382 VanDerWaalsContact C-CE1 3.48Å; R229-H382 PolarHBondContact O-CE1 2.68Å; K339-H382 PolarHBondContact NZ-O 3.13Å
383S84.7Confident87.7Confident6 Ų650.6 Ų50.64%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-64.5146.4174.1-57.60000112.4E32 I340 L381E32-S383 PolarHBondContact O-OG 3.3Å; I340-S383 PolarHBondContact N-O 2.88Å; L381-S383 VanDerWaalsContact C-N 3.25Å; L381-S383 PolarHBondContact O-N 2.85Å
384R89.4Confident87.7Confident83 Ų8351 Ų5131%0.31329%0.29SS..EExtended strand (participates in β ladder)trans-107.5158.1-179.1-72.5-179.1172.3130.8-11.5113.5P233 S234 D235 R239 Q338 K339P233-R384 PolarHBondContact O-NH1 3.02Å; S234-R384 PolarHBondContact O-N 3.44Å; D235-R384 HydrophobicContact CB-CB 4.3Å; R239-R384 PolarHBondContact NH2-O 3.14Å; Q338-R384 VanDerWaalsContact O-CA 3.23Å; Q338-R384 WeakPolarHBondContact O-CA 3.45Å; K339-R384 HydrophobicContact CD-CG 4.05Å
385F91.1Very high87.9Confident30 Ų3054.4 Ų54.413%0.13231%0.31CS..  trans-130111.5162.1-174.3-94.4000110E236 Y325 P327 I334 Q338 I340E236-F385 HydrophobicContact CB-CD2 4.41Å; E236-F385 HydrophobicContact CG-CD2 4.28Å; E236-F385 HydrophobicContact CG-CE2 4.31Å; E236-F385 VanDerWaalsContact OE2-CA 3.29Å; E236-F385 WeakPolarHBondContact OE2-CA 3.21Å; Y325-F385 AromaticContact CD1-CD2 3.67Å; Y325-F385 HydrophobicContact CD1-CD2 3.67Å; Y325-F385 AromaticContact CD1-CE2 3.98Å; Y325-F385 HydrophobicContact CD1-CE2 3.98Å; Y325-F385 AromaticContact CE1-CD2 3.71Å; Y325-F385 HydrophobicContact CE1-CD2 3.71Å; Y325-F385 HydrophobicContact CE1-CE2 4.36Å; Y325-F385 HydrophobicContact CE1-CG 4.47Å; Y325-F385 WeakPolarHBondContact O-CE2 3.41Å; P327-F385 HydrophobicContact CG-CB 4.03Å; P327-F385 HydrophobicContact CG-CD1 4.16Å; P327-F385 HydrophobicContact CG-CD2 4.06Å; P327-F385 HydrophobicContact CG-CG 3.8Å; I334-F385 HydrophobicContact CD1-CD1 3.54Å; I334-F385 HydrophobicContact CD1-CE1 4.13Å; I334-F385 HydrophobicContact CD1-CG 4.47Å; I334-F385 HydrophobicContact CG1-CB 4.46Å; I334-F385 HydrophobicContact CG1-CD1 4.17Å; Q338-F385 PolarHBondContact O-N 2.92Å; I340-F385 HydrophobicContact CD1-CB 4.21Å; I340-F385 HydrophobicContact CG1-CB 4.07Å
386I90.1Very high88Confident79 Ų7953.2 Ų53.241%0.40530%0.303SS..  trans-87.5-32.6-177.3-61.5-179.8000111.2D235 E236 Q338D235-I386 HydrophobicContact CB-CD1 3.55Å; D235-I386 HydrophobicContact CB-CG1 3.87Å; E236-I386 PolarHBondContact OE1-N 3Å; E236-I386 PolarHBondContact OE2-N 2.77Å; Q338-I386 PolarHBondContact NE2-O 3.48Å
387G90.1Very high88.2Confident47 Ų4750.4 Ų50.449%0.48529%0.289SS..  trans92.127.4-172.900000113.2E236E236-G387 PolarHBondContact OE1-N 2.84Å
388A89.4Confident88.5Confident26 Ų2651.1 Ų51.122%0.21528%0.283CS..  trans-58141-177.300000112.6E236 V237 K393E236-A388 PolarHBondContact OE1-N 3.22Å; V237-A388 HydrophobicContact CG2-CB 3.43Å; V237-A388 VanDerWaalsContact CG2-CB 3.43Å; A388-K393 WeakPolarHBondContact O-CE 3.47Å
389S90.6Very high88.7Confident61 Ų6152.7 Ų52.743%0.42729%0.294SS..  trans-59.9147.3178.956.10000112D391 V392 K393S389-D391 PolarHBondContact O-N 3.29Å; S389-V392 PolarHBondContact O-N 3.01Å; S389-V392 VanDerWaalsContact O-N 3.16Å; S389-V392 WeakPolarHBondContact OG-CG2 3.22Å; S389-K393 PolarHBondContact O-N 3.1Å
390L88.3Confident88.8Confident87 Ų8750.7 Ų50.746%0.45528%0.284SS..Hα-helixtrans-57.9-34.2-178.2-176.4143.3000112F324 V392 K393 C394F324-L390 HydrophobicContact CD1-CD1 4.36Å; F324-L390 HydrophobicContact CE1-CD1 3.7Å; F324-L390 HydrophobicContact CZ-CD1 4.36Å; L390-V392 PolarHBondContact O-N 3.18Å; L390-K393 CarbonylContact O-C 3.57Å; L390-K393 WeakPolarHBondContact O-CB 3.49Å; L390-K393 PolarHBondContact O-N 3.45Å; L390-C394 VanDerWaalsContact CD2-SG 3.58Å; L390-C394 WeakPolarHBondContact O-CB 3.5Å; L390-C394 PolarHBondContact O-N 3.13Å; L390-C394 PolarHBondContact O-SG 2.62Å; L390-C394 VanDerWaalsContact O-SG 3.37Å
391D88.5Confident89Confident121 Ų12151.5 Ų51.565%0.64729%0.292SS*.Hα-helixtrans-61.7-45.7178.6-44.3-61.4000112S389 K393 C394 L395S389-D391 PolarHBondContact O-N 3.29Å; D391-K393 VanDerWaalsContact C-N 3.32Å; D391-K393 PolarHBondContact O-N 3.47Å; D391-C394 PolarHBondContact O-N 2.92Å; D391-C394 VanDerWaalsContact O-N 3.15Å; D391-L395 PolarHBondContact O-N 2.83Å; D391-L395 VanDerWaalsContact O-N 3.09Å
392V88.8Confident89.4Confident62 Ų6255.6 Ų55.638%0.37631%0.313SS..Hα-helixtrans-64.4-38.2176.5172.40000110.9V237 S389 L390 L395V237-V392 HydrophobicContact CG1-CG1 4.27Å; V237-V392 HydrophobicContact CG2-CG1 4.29Å; S389-V392 PolarHBondContact O-N 3.01Å; S389-V392 VanDerWaalsContact O-N 3.16Å; S389-V392 WeakPolarHBondContact OG-CG2 3.22Å; L390-V392 PolarHBondContact O-N 3.18Å; V392-L395 WeakPolarHBondContact O-CB 3.45Å; V392-L395 PolarHBondContact O-N 2.89Å
393K88.4Confident89.7Confident12 Ų1254.2 Ų54.25%0.05231%0.31CS..Hα-helixtrans-65.2-39.4172.6-62.3-171.3-176-161.80112.1E236 V237 I323 A388 S389 L390 D391 L395 A396E236-K393 VanDerWaalsContact CG-CE 3.45Å; V237-K393 HydrophobicContact CG2-CG 4.35Å; I323-K393 HydrophobicContact CD1-CB 3.77Å; I323-K393 VanDerWaalsContact CD1-O 3.26Å; I323-K393 WeakPolarHBondContact CD1-O 3.28Å; I323-K393 HydrophobicContact CG2-CB 4.42Å; I323-K393 WeakPolarHBondContact O-CD 3.31Å; I323-K393 PolarHBondContact O-NZ 3.03Å; A388-K393 WeakPolarHBondContact O-CE 3.47Å; S389-K393 PolarHBondContact O-N 3.1Å; L390-K393 CarbonylContact O-C 3.57Å; L390-K393 WeakPolarHBondContact O-CB 3.49Å; L390-K393 PolarHBondContact O-N 3.45Å; D391-K393 VanDerWaalsContact C-N 3.32Å; D391-K393 PolarHBondContact O-N 3.47Å; K393-L395 VanDerWaalsContact C-N 3.31Å; K393-L395 PolarHBondContact O-N 3.37Å; K393-A396 WeakPolarHBondContact O-CB 3.42Å; K393-A396 PolarHBondContact O-N 2.74Å; K393-A396 VanDerWaalsContact O-N 3.12Å
394C88.1Confident90Very high50 Ų5056.9 Ų56.934%0.33832%0.32SS..Hα-helixtrans-68.4-25.6178.9-77.20000113.5L390 D391 A396 F397L390-C394 VanDerWaalsContact CD2-SG 3.58Å; L390-C394 WeakPolarHBondContact O-CB 3.5Å; L390-C394 PolarHBondContact O-N 3.13Å; L390-C394 PolarHBondContact O-SG 2.62Å; L390-C394 VanDerWaalsContact O-SG 3.37Å; D391-C394 PolarHBondContact O-N 2.92Å; D391-C394 VanDerWaalsContact O-N 3.15Å; C394-A396 PolarHBondContact O-N 3.48Å; C394-F397 PolarHBondContact O-N 2.92Å
395L90.9Very high90.1Very high109 Ų10957.4 Ų57.457%0.57133%0.333SS*.Hα-helixtrans-55.6-33.2169.3-65.5177.6000112.1D391 V392 K393 F397 V398D391-L395 PolarHBondContact O-N 2.83Å; D391-L395 VanDerWaalsContact O-N 3.09Å; V392-L395 WeakPolarHBondContact O-CB 3.45Å; V392-L395 PolarHBondContact O-N 2.89Å; K393-L395 VanDerWaalsContact C-N 3.31Å; K393-L395 PolarHBondContact O-N 3.37Å; L395-F397 PolarHBondContact O-N 3.34Å; L395-V398 PolarHBondContact O-N 3.31Å
396A88.6Confident90Very high0 Ų062.7 Ų62.70%035%0.352CS..THydrogen-bonded Turntrans-61.5-24.8177.300000113.4A240 F241 S244 K393 C394 P399A240-A396 HydrophobicContact CB-CB 4.06Å; F241-A396 HydrophobicContact CB-CB 4.42Å; F241-A396 HydrophobicContact CD1-CB 3.94Å; F241-A396 HydrophobicContact CD2-CB 3.7Å; F241-A396 HydrophobicContact CE1-CB 4.08Å; F241-A396 HydrophobicContact CE2-CB 3.84Å; F241-A396 HydrophobicContact CG-CB 3.75Å; F241-A396 HydrophobicContact CZ-CB 4.02Å; S244-A396 WeakPolarHBondContact CB-O 3.45Å; S244-A396 PolarHBondContact OG-O 3.32Å; K393-A396 WeakPolarHBondContact O-CB 3.42Å; K393-A396 PolarHBondContact O-N 2.74Å; K393-A396 VanDerWaalsContact O-N 3.12Å; C394-A396 PolarHBondContact O-N 3.48Å; A396-P399 WeakPolarHBondContact O-CD 3.34Å
397F89.3Confident90Very high45 Ų4560.2 Ų60.220%0.19734%0.338CS..THydrogen-bonded Turntrans-90.5-10.4-178.8-168.7-113.5000114.2L247 L316 W319 C394 L395 P399 S400 L401L247-F397 HydrophobicContact CD1-CE2 4.32Å; L316-F397 HydrophobicContact CD1-CE2 4.12Å; L316-F397 HydrophobicContact CD1-CZ 4.41Å; W319-F397 AromaticContact CD2-CD2 3.73Å; W319-F397 HydrophobicContact CD2-CD2 3.73Å; W319-F397 HydrophobicContact CD2-CE2 4.06Å; W319-F397 AromaticContact CE2-CD2 3.3Å; W319-F397 AromaticContact CE2-CG 3.77Å; W319-F397 HydrophobicContact CE3-CD2 4.11Å; W319-F397 HydrophobicContact CE3-CE2 4.06Å; W319-F397 HydrophobicContact CG-CD2 4.41Å; W319-F397 HydrophobicContact CH2-CB 4.26Å; W319-F397 HydrophobicContact CH2-CD1 4.21Å; W319-F397 AromaticContact CH2-CD2 3.83Å; W319-F397 HydrophobicContact CH2-CD2 3.83Å; W319-F397 HydrophobicContact CH2-CE2 4.19Å; W319-F397 AromaticContact CH2-CG 3.85Å; W319-F397 HydrophobicContact CH2-CG 3.85Å; W319-F397 HydrophobicContact CZ2-CB 3.41Å; W319-F397 VanDerWaalsContact CZ2-CB 3.41Å; W319-F397 HydrophobicContact CZ2-CD1 4.17Å; W319-F397 AromaticContact CZ2-CD2 3.4Å; W319-F397 HydrophobicContact CZ2-CD2 3.4Å; W319-F397 VanDerWaalsContact CZ2-CD2 3.4Å; W319-F397 HydrophobicContact CZ2-CE2 4.18Å; W319-F397 AromaticContact CZ2-CG 3.39Å; W319-F397 HydrophobicContact CZ2-CG 3.39Å; W319-F397 HydrophobicContact CZ3-CD2 4.15Å; W319-F397 HydrophobicContact CZ3-CE2 4.11Å; W319-F397 HydrophobicContact CZ3-CZ 4.5Å; W319-F397 AromaticContact NE1-CD2 3.69Å; C394-F397 PolarHBondContact O-N 2.92Å; L395-F397 PolarHBondContact O-N 3.34Å; F397-P399 VanDerWaalsContact C-CD 3.47Å; F397-P399 VanDerWaalsContact C-N 3.33Å; F397-S400 WeakPolarHBondContact O-CB 3.4Å; F397-S400 PolarHBondContact O-N 3.06Å; F397-S400 VanDerWaalsContact O-N 3.08Å; F397-L401 HydrophobicContact CD1-CB 4.08Å; F397-L401 HydrophobicContact CE1-CB 4.05Å; F397-L401 PolarHBondContact O-N 3.48Å
398V91.4Very high89.8Confident68 Ų6859.7 Ų59.741%0.41233%0.332SS..Hα-helixtrans-54.9-41.7180176.20000112.4L395 L401 I402L395-V398 PolarHBondContact O-N 3.31Å; V398-L401 PolarHBondContact O-N 2.95Å; V398-I402 HydrophobicContact CG1-CD1 3.77Å; V398-I402 HydrophobicContact CG1-CG1 4.44Å; V398-I402 WeakPolarHBondContact O-CB 3.27Å; V398-I402 VanDerWaalsContact O-CG1 3.25Å; V398-I402 WeakPolarHBondContact O-CG1 3.29Å; V398-I402 PolarHBondContact O-N 2.73Å
399P91.3Very high89.8Confident52 Ų5263.2 Ų63.234%0.33834%0.343SS..Hα-helixtrans-61.5-44.6173.7-23.235.5000113.4V248 A396 F397 I402 A403V248-P399 HydrophobicContact CG2-CB 4.05Å; A396-P399 WeakPolarHBondContact O-CD 3.34Å; F397-P399 VanDerWaalsContact C-CD 3.47Å; F397-P399 VanDerWaalsContact C-N 3.33Å; P399-I402 PolarHBondContact O-N 2.73Å; P399-A403 WeakPolarHBondContact O-CB 3.48Å; P399-A403 PolarHBondContact O-N 2.91Å
400S90.6Very high89.6Confident1 Ų163 Ų631%0.00734%0.335CS..Hα-helixtrans-62-46.7176.3-70.30000111.8S244 F397 I402 A403 F404S244-S400 PolarHBondContact O-OG 3.15Å; S244-S400 PolarHBondContact OG-OG 3.42Å; F397-S400 WeakPolarHBondContact O-CB 3.4Å; F397-S400 PolarHBondContact O-N 3.06Å; F397-S400 VanDerWaalsContact O-N 3.08Å; S400-I402 VanDerWaalsContact C-N 3.35Å; S400-I402 PolarHBondContact O-N 2.71Å; S400-A403 PolarHBondContact O-N 3.5Å; S400-F404 WeakPolarHBondContact O-CD2 3.41Å; S400-F404 PolarHBondContact O-N 3.06Å
401L91.4Very high89.4Confident95 Ų9559.8 Ų59.850%0.49732%0.318SS..Hα-helixtrans-60.6-44178.6-18061.9000111.6F397 V398 F404 V405F397-L401 HydrophobicContact CD1-CB 4.08Å; F397-L401 HydrophobicContact CE1-CB 4.05Å; F397-L401 PolarHBondContact O-N 3.48Å; V398-L401 PolarHBondContact O-N 2.95Å; L401-F404 PolarHBondContact O-N 3.14Å; L401-V405 VanDerWaalsContact O-CG2 3.31Å; L401-V405 WeakPolarHBondContact O-CG2 3.3Å; L401-V405 PolarHBondContact O-N 3.24Å
402I92.4Very high89.2Confident88 Ų8861.7 Ų61.745%0.45132%0.316SS..Hα-helixtrans-59.4-49.5173.7-71.4167.9000109.9V398 P399 S400 F404 V405 W406V398-I402 HydrophobicContact CG1-CD1 3.77Å; V398-I402 HydrophobicContact CG1-CG1 4.44Å; V398-I402 WeakPolarHBondContact O-CB 3.27Å; V398-I402 VanDerWaalsContact O-CG1 3.25Å; V398-I402 WeakPolarHBondContact O-CG1 3.29Å; V398-I402 PolarHBondContact O-N 2.73Å; P399-I402 PolarHBondContact O-N 2.73Å; S400-I402 VanDerWaalsContact C-N 3.35Å; S400-I402 PolarHBondContact O-N 2.71Å; I402-F404 PolarHBondContact O-N 2.73Å; I402-V405 PolarHBondContact O-N 2.63Å; I402-V405 VanDerWaalsContact O-N 3.15Å; I402-W406 VanDerWaalsContact O-CD1 3.24Å; I402-W406 PolarHBondContact O-N 3.43Å
403A90.4Very high88.9Confident17 Ų1764.9 Ų64.914%0.1433%0.325CS..Hα-helixtrans-58.6-45.7179.800000112V248 L251 P399 S400 V405 W406 F407V248-A403 HydrophobicContact CG2-CB 4.21Å; L251-A403 HydrophobicContact CD2-CB 3.7Å; L251-A403 VanDerWaalsContact CD2-O 3.28Å; L251-A403 WeakPolarHBondContact CD2-O 3.23Å; P399-A403 WeakPolarHBondContact O-CB 3.48Å; P399-A403 PolarHBondContact O-N 2.91Å; S400-A403 PolarHBondContact O-N 3.5Å; A403-V405 PolarHBondContact O-N 3.39Å; A403-W406 PolarHBondContact O-N 2.65Å; A403-F407 WeakPolarHBondContact O-CB 3.37Å; A403-F407 PolarHBondContact O-N 3.02Å
404F90.7Very high88.6Confident62 Ų6268.9 Ų68.927%0.27234%0.342SS..Hα-helixtrans-60.7-39.8174.5-80.7-62.3000113.1L251 L312 S400 L401 I402 G408L251-F404 HydrophobicContact CD1-CD1 4.27Å; L251-F404 HydrophobicContact CD1-CE1 4.1Å; L251-F404 HydrophobicContact CD2-CD1 4.11Å; L251-F404 HydrophobicContact CD2-CG 4.39Å; L312-F404 HydrophobicContact CD1-CZ 4.25Å; L312-F404 HydrophobicContact CD2-CE1 4.06Å; L312-F404 HydrophobicContact CD2-CZ 4.29Å; L312-F404 HydrophobicContact CG-CZ 4.4Å; S400-F404 WeakPolarHBondContact O-CD2 3.41Å; S400-F404 PolarHBondContact O-N 3.06Å; L401-F404 PolarHBondContact O-N 3.14Å; I402-F404 PolarHBondContact O-N 2.73Å; F404-G408 PolarHBondContact O-N 2.71Å
405V92.2Very high87.9Confident94 Ų9466.5 Ų66.557%0.5733%0.327SS*.Hα-helixtrans-65.1-44.3175.6168.30000111.2L401 I402 A403 G408 F409L401-V405 VanDerWaalsContact O-CG2 3.31Å; L401-V405 WeakPolarHBondContact O-CG2 3.3Å; L401-V405 PolarHBondContact O-N 3.24Å; I402-V405 PolarHBondContact O-N 2.63Å; I402-V405 VanDerWaalsContact O-N 3.15Å; A403-V405 PolarHBondContact O-N 3.39Å; V405-G408 PolarHBondContact O-N 3.14Å; V405-F409 VanDerWaalsContact O-CB 3.26Å; V405-F409 WeakPolarHBondContact O-CB 3.25Å; V405-F409 PolarHBondContact O-N 3.24Å
406W89.6Confident87.4Confident141 Ų14163.7 Ų63.753%0.53431%0.308SS..Hα-helixtrans-64.1-45.6175.4-8198.6000112.2I402 A403 G408 F409 F410I402-W406 VanDerWaalsContact O-CD1 3.24Å; I402-W406 PolarHBondContact O-N 3.43Å; A403-W406 PolarHBondContact O-N 2.65Å; W406-G408 PolarHBondContact O-N 3.07Å; W406-F409 WeakPolarHBondContact O-CB 3.08Å; W406-F409 PolarHBondContact O-N 3.4Å; W406-F410 HydrophobicContact CB-CE2 4.27Å; W406-F410 AromaticContact CE3-CE2 3.7Å; W406-F410 HydrophobicContact CE3-CE2 3.7Å; W406-F410 AromaticContact CE3-CZ 3.72Å; W406-F410 HydrophobicContact CE3-CZ 3.72Å; W406-F410 HydrophobicContact CZ3-CE2 4.47Å; W406-F410 HydrophobicContact CZ3-CZ 4.05Å; W406-F410 WeakPolarHBondContact O-CD2 3.47Å; W406-F410 PolarHBondContact O-N 3.25Å
407F88.6Confident86.4Confident27 Ų2766.8 Ų66.812%0.11832%0.322CS..Hα-helixtrans-57.4-49.8175.5178.2-89.2000111.6L251 V254 M255 F260 F309 A403 F409 F410 I411L251-F407 HydrophobicContact CD1-CB 4.23Å; L251-F407 HydrophobicContact CD1-CD1 4.29Å; L251-F407 HydrophobicContact CD1-CD2 3.64Å; L251-F407 HydrophobicContact CD1-CE2 3.98Å; L251-F407 HydrophobicContact CD1-CG 3.81Å; L251-F407 HydrophobicContact CD1-CZ 4.46Å; L251-F407 HydrophobicContact CD2-CB 3.7Å; L251-F407 HydrophobicContact CD2-CD2 4.43Å; L251-F407 HydrophobicContact CD2-CG 4.21Å; L251-F407 HydrophobicContact CG-CB 4.08Å; L251-F407 HydrophobicContact CG-CD2 3.87Å; L251-F407 HydrophobicContact CG-CG 4.11Å; V254-F407 HydrophobicContact CB-CE2 4.24Å; V254-F407 HydrophobicContact CG1-CE2 3.8Å; V254-F407 HydrophobicContact CG1-CZ 4.44Å; M255-F407 HydrophobicContact CG-CD2 3.82Å; M255-F407 HydrophobicContact SD-CB 4.14Å; M255-F407 HydrophobicContact SD-CD2 4.29Å; F260-F407 HydrophobicContact CD2-CE2 4.36Å; F260-F407 AromaticContact CE2-CD2 3.66Å; F260-F407 HydrophobicContact CE2-CD2 3.66Å; F260-F407 AromaticContact CE2-CE2 3.48Å; F260-F407 HydrophobicContact CE2-CE2 3.48Å; F260-F407 VanDerWaalsContact CE2-CE2 3.48Å; F260-F407 HydrophobicContact CE2-CZ 4.25Å; F260-F407 AromaticContact CZ-CD2 3.82Å; F260-F407 HydrophobicContact CZ-CD2 3.82Å; F260-F407 HydrophobicContact CZ-CE2 4.13Å; F260-F407 HydrophobicContact CZ-CG 4.48Å; F309-F407 HydrophobicContact CE1-CZ 4.37Å; F309-F407 HydrophobicContact CZ-CZ 4.15Å; A403-F407 WeakPolarHBondContact O-CB 3.37Å; A403-F407 PolarHBondContact O-N 3.02Å; F407-F409 VanDerWaalsContact C-N 3.34Å; F407-F409 PolarHBondContact O-N 3.35Å; F407-F410 PolarHBondContact O-N 3Å; F407-I411 HydrophobicContact CD1-CG1 4.24Å; F407-I411 HydrophobicContact CE1-CG1 3.99Å; F407-I411 HydrophobicContact CZ-CD1 4.39Å; F407-I411 HydrophobicContact CZ-CG1 4.25Å; F407-I411 VanDerWaalsContact O-CG1 3.28Å; F407-I411 WeakPolarHBondContact O-CG1 3.46Å; F407-I411 PolarHBondContact O-N 3.02Å
408G86.9Confident85.4Confident35 Ų3570.2 Ų70.236%0.36134%0.342SS..Hα-helixtrans-61-40.1176.500000112.8F404 V405 W406 W412F404-G408 PolarHBondContact O-N 2.71Å; V405-G408 PolarHBondContact O-N 3.14Å; W406-G408 PolarHBondContact O-N 3.07Å; G408-W412 WeakPolarHBondContact O-CB 3.41Å; G408-W412 PolarHBondContact O-N 3.41Å
409F88.7Confident83.8Confident100 Ų10076 Ų7644%0.43936%0.362SS..Hα-helixtrans-62.2-47.6174.5173.9-97.5000112.1V405 W406 F407 I411 W412 F413V405-F409 VanDerWaalsContact O-CB 3.26Å; V405-F409 WeakPolarHBondContact O-CB 3.25Å; V405-F409 PolarHBondContact O-N 3.24Å; W406-F409 WeakPolarHBondContact O-CB 3.08Å; W406-F409 PolarHBondContact O-N 3.4Å; F407-F409 VanDerWaalsContact C-N 3.34Å; F407-F409 PolarHBondContact O-N 3.35Å; F409-I411 PolarHBondContact O-N 3.39Å; F409-W412 PolarHBondContact O-N 3.35Å; F409-F413 HydrophobicContact CE2-CD2 4.45Å; F409-F413 HydrophobicContact CZ-CB 4.49Å; F409-F413 HydrophobicContact CZ-CD2 4.41Å; F409-F413 HydrophobicContact CZ-CG 4.45Å; F409-F413 VanDerWaalsContact O-CB 3.28Å; F409-F413 WeakPolarHBondContact O-CB 3.41Å; F409-F413 PolarHBondContact O-N 3.48Å
410F86Confident81.8Confident57 Ų5780.9 Ų80.925%0.2539%0.385CS..Hα-helixtrans-62.8-43.6177.8-72.2-59.4000112.2M255 F260 P261 W406 F407 F414 G415M255-F410 HydrophobicContact CE-CD2 3.89Å; M255-F410 HydrophobicContact CE-CE2 3.78Å; F260-F410 HydrophobicContact CE1-CB 3.65Å; F260-F410 HydrophobicContact CE1-CD2 4.08Å; F260-F410 HydrophobicContact CE1-CG 4.04Å; F260-F410 HydrophobicContact CZ-CB 3.78Å; P261-F410 HydrophobicContact CB-CB 4.48Å; P261-F410 HydrophobicContact CG-CB 4.38Å; P261-F410 WeakPolarHBondContact CG-O 3.16Å; W406-F410 HydrophobicContact CB-CE2 4.27Å; W406-F410 AromaticContact CE3-CE2 3.7Å; W406-F410 HydrophobicContact CE3-CE2 3.7Å; W406-F410 AromaticContact CE3-CZ 3.72Å; W406-F410 HydrophobicContact CE3-CZ 3.72Å; W406-F410 HydrophobicContact CZ3-CE2 4.47Å; W406-F410 HydrophobicContact CZ3-CZ 4.05Å; W406-F410 WeakPolarHBondContact O-CD2 3.47Å; W406-F410 PolarHBondContact O-N 3.25Å; F407-F410 PolarHBondContact O-N 3Å; F410-F414 AromaticContact CD1-CD2 3.9Å; F410-F414 HydrophobicContact CD1-CD2 3.9Å; F410-F414 AromaticContact CD1-CE2 3.8Å; F410-F414 HydrophobicContact CD1-CE2 3.8Å; F410-F414 HydrophobicContact CE1-CE2 4.24Å; F410-F414 PolarHBondContact O-N 3.11Å; F410-G415 PolarHBondContact O-N 3.27Å
411I85.2Confident80Confident20 Ų2084.7 Ų84.710%0.10340%0.402CS..Hα-helixtrans-61.4-43.4174.7-67.6-79.7000111.4L98 M100 F260 P261 F263 F407 F409 G415L98-I411 HydrophobicContact CD2-CG2 4.12Å; M100-I411 HydrophobicContact CE-CD1 4.04Å; M100-I411 HydrophobicContact CE-CG2 3.89Å; M100-I411 HydrophobicContact SD-CD1 4.25Å; F260-I411 HydrophobicContact CE2-CD1 4Å; F260-I411 HydrophobicContact CE2-CG1 4.18Å; F260-I411 HydrophobicContact CZ-CG1 4.41Å; P261-I411 HydrophobicContact CB-CD1 3.82Å; P261-I411 HydrophobicContact CB-CG1 4.28Å; F263-I411 HydrophobicContact CE2-CD1 4.01Å; F407-I411 HydrophobicContact CD1-CG1 4.24Å; F407-I411 HydrophobicContact CE1-CG1 3.99Å; F407-I411 HydrophobicContact CZ-CD1 4.39Å; F407-I411 HydrophobicContact CZ-CG1 4.25Å; F407-I411 VanDerWaalsContact O-CG1 3.28Å; F407-I411 WeakPolarHBondContact O-CG1 3.46Å; F407-I411 PolarHBondContact O-N 3.02Å; F409-I411 PolarHBondContact O-N 3.39Å; I411-G415 CarbonylContact O-C 3.58Å; I411-G415 WeakPolarHBondContact O-CA 3.38Å; I411-G415 PolarHBondContact O-N 3.14Å; I411-G415 VanDerWaalsContact O-N 3.1Å
412W83.3Confident77.8Confident160 Ų16085.9 Ų85.961%0.60642%0.416SS*.Hα-helixtrans-70.2-41-179179.1-81.3000113.1G408 F409 R416G408-W412 WeakPolarHBondContact O-CB 3.41Å; G408-W412 PolarHBondContact O-N 3.41Å; F409-W412 PolarHBondContact O-N 3.35Å; W412-R416 VanDerWaalsContact CE3-NH2 3.33Å; W412-R416 VanDerWaalsContact CH2-NH1 3.34Å; W412-R416 WeakPolarHBondContact O-CD 3.41Å
413F83.6Confident75.4Confident129 Ų12990.3 Ų90.357%0.56643%0.427SS*.Hα-helixtrans-85.9-44.2-172.8-166.2-86.6000112.8F409F409-F413 HydrophobicContact CE2-CD2 4.45Å; F409-F413 HydrophobicContact CZ-CB 4.49Å; F409-F413 HydrophobicContact CZ-CD2 4.41Å; F409-F413 HydrophobicContact CZ-CG 4.45Å; F409-F413 VanDerWaalsContact O-CB 3.28Å; F409-F413 WeakPolarHBondContact O-CB 3.41Å; F409-F413 PolarHBondContact O-N 3.48Å
414F81.3Confident73Confident96 Ų9694.8 Ų94.842%0.42145%0.446SS..THydrogen-bonded Turntrans-106.1-30.4-176.5-57.8-84.2000113.2P261 H262 F410 R416P261-F414 HydrophobicContact CG-CB 3.67Å; H262-F414 PolarHBondContact CE1-O 3.33Å; H262-F414 PolarHBondContact NE2-O 3.22Å; F410-F414 AromaticContact CD1-CD2 3.9Å; F410-F414 HydrophobicContact CD1-CD2 3.9Å; F410-F414 AromaticContact CD1-CE2 3.8Å; F410-F414 HydrophobicContact CD1-CE2 3.8Å; F410-F414 HydrophobicContact CE1-CE2 4.24Å; F410-F414 PolarHBondContact O-N 3.11Å; F414-R416 PolarHBondContact O-N 3.19Å
415G74.8Confident70.3Confident1 Ų198.3 Ų98.31%0.0146%0.463CS..SBendtrans-73.914.2-177.700000115.7L98 K99 F410 I411L98-G415 WeakPolarHBondContact CA-O 3.17Å; K99-G415 PolarHBondContact N-O 3.18Å; F410-G415 PolarHBondContact O-N 3.27Å; I411-G415 CarbonylContact O-C 3.58Å; I411-G415 WeakPolarHBondContact O-CA 3.38Å; I411-G415 PolarHBondContact O-N 3.14Å; I411-G415 VanDerWaalsContact O-N 3.1Å
416R78.5Confident67.6Low49 Ų4997.2 Ų97.219%0.18545%0.454CS..BIsolated β-bridgetrans-115.9154.4-173.9-81.7-169.5163.6152.91114.1L96 R97 L98 K99 W412 F414L96-R416 PolarHBondContact O-NE 3.01Å; R97-R416 WeakPolarHBondContact O-CA 3.5Å; L98-R416 HydrophobicContact CD2-CG 3.99Å; K99-R416 WeakPolarHBondContact CD-O 3.35Å; K99-R416 WeakPolarHBondContact CE-O 3.49Å; K99-R416 PolarHBondContact NZ-O 2.82Å; W412-R416 VanDerWaalsContact CE3-NH2 3.33Å; W412-R416 VanDerWaalsContact CH2-NH1 3.34Å; W412-R416 WeakPolarHBondContact O-CD 3.41Å; F414-R416 PolarHBondContact O-N 3.19Å
417F68.9Low64.7Low66 Ų6697.1 Ų97.129%0.28946%0.46SS..  trans-71.9129.3161.8-66.8-78.8000110.8R97 K99 M264 E421R97-F417 HydrophobicContact CB-CB 4.45Å; R97-F417 WeakPolarHBondContact O-CD2 3.4Å; R97-F417 PolarHBondContact O-N 3.16Å; K99-F417 HydrophobicContact CB-CE2 4.38Å; K99-F417 HydrophobicContact CD-CD1 4.36Å; K99-F417 HydrophobicContact CD-CE1 4.43Å; K99-F417 HydrophobicContact CG-CD1 3.96Å; K99-F417 HydrophobicContact CG-CD2 3.86Å; K99-F417 HydrophobicContact CG-CE1 3.88Å; K99-F417 HydrophobicContact CG-CE2 3.78Å; K99-F417 HydrophobicContact CG-CG 3.96Å; K99-F417 HydrophobicContact CG-CZ 3.79Å; M264-F417 HydrophobicContact CE-CE1 4.29Å; M264-F417 HydrophobicContact CE-CZ 3.76Å; F417-E421 WeakPolarHBondContact CA-OE2 3.3Å; F417-E421 HydrophobicContact CD1-CB 4.48Å
418L67.8Low62.2Low117 Ų117101.9 Ų101.961%0.61349%0.486SS*.  trans-62.6148.9167.4-90.768.8000108.8N420 E421L418-N420 PolarHBondContact O-N 2.71Å; L418-E421 HydrophobicContact CB-CG 4.21Å; L418-E421 PolarHBondContact N-OE2 3.03Å; L418-E421 PolarHBondContact O-N 3.23Å; L418-E421 VanDerWaalsContact O-N 3.11Å
419K57.2Low59.6Low190 Ų190107 Ų10783%0.82650%0.499SS*.THydrogen-bonded Turntrans-54.5-23.3179-87.4-173.6174.8-179.70113.9
420N49.9Very low56.6Low153 Ų153107.6 Ų107.682%0.81851%0.511SS*.THydrogen-bonded Turntrans-105.4-3.1-173.3-55.83.9000113.3L418 P422L418-N420 PolarHBondContact O-N 2.71Å; N420-P422 WeakPolarHBondContact O-CD 3.35Å
421E52.3Low53.9Low81 Ų81114.3 Ų114.338%0.37954%0.536SS..SBendtrans-72.3117.3169.7-78.4174127.800108.3K99 F417 L418 R423K99-E421 VanDerWaalsContact CE-OE2 3.31Å; K99-E421 WeakPolarHBondContact CE-OE2 3.34Å; K99-E421 VanDerWaalsContact NZ-CD 3.29Å; K99-E421 IonicContact NZ-OE1 3.07Å; K99-E421 PolarHBondContact NZ-OE1 3.3Å; K99-E421 IonicContact NZ-OE2 2.68Å; K99-E421 PolarHBondContact NZ-OE2 3.1Å; F417-E421 WeakPolarHBondContact CA-OE2 3.3Å; F417-E421 HydrophobicContact CD1-CB 4.48Å; L418-E421 HydrophobicContact CB-CG 4.21Å; L418-E421 PolarHBondContact N-OE2 3.03Å; L418-E421 PolarHBondContact O-N 3.23Å; L418-E421 VanDerWaalsContact O-N 3.11Å; E421-R423 PolarHBondContact O-N 2.77Å
422P46.1Very low51.2Low120 Ų120119 Ų11978%0.77957%0.566SS**PPolyproline II helixtrans-65.3128.517527.4-33.1000109.1N420 M424N420-P422 WeakPolarHBondContact O-CD 3.35Å; P422-M424 PolarHBondContact O-N 3.39Å; P422-M424 VanDerWaalsContact O-N 3.17Å
423R42.1Very low48.6Very low182 Ų182122.3 Ų122.369%0.68758%0.578SS**PPolyproline II helixtrans-58.5120.5170-171.1-177.1-166.9-171.62.7107.6E421 E425E421-R423 PolarHBondContact O-N 2.77Å; R423-E425 PolarHBondContact O-N 2.88Å
424M40Very low45.9Very low111 Ų111124.2 Ų124.255%0.54759%0.591SS.*  trans-67.486.4170.3-79-175.571.800109P422 N426 Q427P422-M424 PolarHBondContact O-N 3.39Å; P422-M424 VanDerWaalsContact O-N 3.17Å; M424-N426 PolarHBondContact O-N 3.08Å; M424-Q427 HydrophobicContact CE-CG 4.35Å
425E33.2Very low43.5Very low135 Ų135128.8 Ų128.863%0.63161%0.611SS**  trans-92103.8-172.3177.3157.6-160.600110.7R423R423-E425 PolarHBondContact O-N 2.88Å
426N35.7Very low41.4Very low71 Ų71140.5 Ų140.538%0.3866%0.655SS.*  trans67.481.5176.4-50.7-84.8000116.8M424 D428 K429M424-N426 PolarHBondContact O-N 3.08Å; N426-D428 VanDerWaalsContact C-N 3.25Å; N426-K429 HydrophobicContact CB-CB 4.3Å; N426-K429 HydrophobicContact CB-CD 3.71Å; N426-K429 HydrophobicContact CB-CG 3.85Å; N426-K429 PolarHBondContact ND2-NZ 2.58Å
427Q29.8Very low39.3Very low140 Ų140144.5 Ų144.565%0.65467%0.673SS**SBendtrans-70.6-22.2154-93.7178.9-41.300112.5M424 K429 T430M424-Q427 HydrophobicContact CE-CG 4.35Å; Q427-K429 PolarHBondContact O-N 3.43Å; Q427-K429 VanDerWaalsContact O-N 3.14Å; Q427-T430 PolarHBondContact O-N 3.34Å; Q427-T430 VanDerWaalsContact O-N 3.12Å; Q427-T430 PolarHBondContact O-OG1 3.14Å
428D34.3Very low37.5Very low126 Ų126144 Ų14467%0.67468%0.678SS**Hα-helixtrans-60-22.8177.1-71.1-38.7000114.9N426 T430 Y431 T432N426-D428 VanDerWaalsContact C-N 3.25Å; D428-T430 PolarHBondContact O-N 3.49Å; D428-Y431 PolarHBondContact O-N 3.06Å; D428-T432 PolarHBondContact O-OG1 3.3Å
429K32.8Very low36Very low142 Ų142144.3 Ų144.362%0.61769%0.687SS**Hα-helixtrans-70-16177.7-77.8174.9-177.6164.40113.2N426 Q427N426-K429 HydrophobicContact CB-CB 4.3Å; N426-K429 HydrophobicContact CB-CD 3.71Å; N426-K429 HydrophobicContact CB-CG 3.85Å; N426-K429 PolarHBondContact ND2-NZ 2.58Å; Q427-K429 PolarHBondContact O-N 3.43Å; Q427-K429 VanDerWaalsContact O-N 3.14Å
430T26.2Very low35.2Very low113 Ų113139.1 Ų139.169%0.69368%0.675SS**Hα-helixtrans-83.2-33.7177.5-48.40000111.9Q427 D428Q427-T430 PolarHBondContact O-N 3.34Å; Q427-T430 VanDerWaalsContact O-N 3.12Å; Q427-T430 PolarHBondContact O-OG1 3.14Å; D428-T430 PolarHBondContact O-N 3.49Å
431Y29.3Very low34.7Very low198 Ų198136 Ų13678%0.77666%0.655SS**Hα-helixtrans-79.4-18.8-177-92.8-84.7000114.7D428D428-Y431 PolarHBondContact O-N 3.06Å
432T29.2Very low33.9Very low120 Ų120139.9 Ų139.974%0.73667%0.673SS**THydrogen-bonded Turntrans-949.2-175.240.50000114.8D428D428-T432 PolarHBondContact O-OG1 3.3Å
433R27.1Very low33.6Very low229 Ų229138.9 Ų138.986%0.86467%0.669SS**THydrogen-bonded Turntrans-11418.7178.9-144.5-176.6-175.1-174.62115.9K435R433-K435 PolarHBondContact O-N 3.26Å
434M28.3Very low33.4Very low168 Ų168137.9 Ų137.983%0.82867%0.669SS**SBendtrans-70.1124.6160.6-69.7-166.417800109.4R436M434-R436 PolarHBondContact O-N 2.85Å
435K30.7Very low33.2Very low193 Ų193139 Ų13984%0.83968%0.678SS**  trans-63.2120.1-171.4-71.6-179.8177.4179.30111.7R433 K437R433-K435 PolarHBondContact O-N 3.26Å; K435-K437 VanDerWaalsContact C-N 3.32Å; K435-K437 PolarHBondContact O-N 2.79Å
436R31.1Very low33.4Very low247 Ų247141.2 Ų141.293%0.93269%0.69SS**  trans-69.988.7158.3-172.2-177.2-167.5177.74.6108.7M434M434-R436 PolarHBondContact O-N 2.85Å
437K33.1Very low33.6Very low133 Ų133140.8 Ų140.858%0.57870%0.703SS**  trans-55.8141.8167.7-76.9-171.3161.5-1240109.5K435 E441K435-K437 VanDerWaalsContact C-N 3.32Å; K435-K437 PolarHBondContact O-N 2.79Å; K437-E441 WeakPolarHBondContact CD-OE2 3.33Å; K437-E441 WeakPolarHBondContact CE-OE2 3.42Å; K437-E441 VanDerWaalsContact CG-OE2 3.27Å; K437-E441 WeakPolarHBondContact CG-OE2 3.38Å; K437-E441 IonicContact NZ-OE2 2.81Å; K437-E441 PolarHBondContact NZ-OE2 2.87Å
438S32Very low33.6Very low54 Ų54142 Ų14238%0.37871%0.712SS.*  trans-81152.7176.755.20000111.1S440 E441S438-S440 PolarHBondContact O-N 3.35Å; S438-S440 PolarHBondContact OG-OG 2.92Å; S438-E441 PolarHBondContact O-N 2.83Å; S438-E441 VanDerWaalsContact O-N 3.1Å
439P36Very low33.3Very low125 Ų125142.4 Ų142.481%0.81272%0.719SS**THydrogen-bonded Turntrans-56.5-22.7177.4-26.635.7000114.3E441 H442P439-E441 PolarHBondContact O-N 3.07Å; P439-H442 PolarHBondContact O-N 3.49Å
440S41.1Very low33.3Very low81 Ų81147.1 Ų147.157%0.56673%0.733SS**THydrogen-bonded Turntrans-73.7-12.3178.252.80000116S438S438-S440 PolarHBondContact O-N 3.35Å; S438-S440 PolarHBondContact OG-OG 2.92Å
441E39.4Very low33.3Very low88 Ų88149.8 Ų149.841%0.41174%0.738SS.*THydrogen-bonded Turntrans-80.3-29.3172.7-71.3-170.1176.900111.8K437 S438 P439 S443 K444K437-E441 WeakPolarHBondContact CD-OE2 3.33Å; K437-E441 WeakPolarHBondContact CE-OE2 3.42Å; K437-E441 VanDerWaalsContact CG-OE2 3.27Å; K437-E441 WeakPolarHBondContact CG-OE2 3.38Å; K437-E441 IonicContact NZ-OE2 2.81Å; K437-E441 PolarHBondContact NZ-OE2 2.87Å; S438-E441 PolarHBondContact O-N 2.83Å; S438-E441 VanDerWaalsContact O-N 3.1Å; P439-E441 PolarHBondContact O-N 3.07Å; E441-S443 VanDerWaalsContact C-N 3.31Å; E441-S443 PolarHBondContact O-N 3.06Å; E441-K444 PolarHBondContact O-N 2.82Å
442H35.7Very low33.1Very low161 Ų161146.7 Ų146.775%0.74573%0.734SS**THydrogen-bonded Turntrans-73.7-21.3-169.4-15110.9000113.7P439 K444P439-H442 PolarHBondContact O-N 3.49Å; H442-K444 VanDerWaalsContact C-N 3.33Å; H442-K444 PolarHBondContact O-N 3.43Å
443S39.5Very low32.8Very low99 Ų99146.2 Ų146.269%0.69273%0.731SS**THydrogen-bonded Turntrans-87.88.7179.375.70000114.5E441E441-S443 VanDerWaalsContact C-N 3.31Å; E441-S443 PolarHBondContact O-N 3.06Å
444K38.2Very low32.6Very low161 Ų161144 Ų14470%0.773%0.731SS**THydrogen-bonded Turntrans-104.7-27.2176.3-74.5-168172.9-171.70114.3E441 H442 M446E441-K444 PolarHBondContact O-N 2.82Å; H442-K444 VanDerWaalsContact C-N 3.33Å; H442-K444 PolarHBondContact O-N 3.43Å; K444-M446 VanDerWaalsContact C-N 3.27Å; K444-M446 PolarHBondContact O-N 3.18Å
445D35.5Very low32.5Very low136 Ų136140.6 Ų140.673%0.72773%0.729SS**THydrogen-bonded Turntrans-78.4-9.8-179.9-66.9-27.9000113.3
446M37.2Very low32.1Very low181 Ų181136.8 Ų136.889%0.89273%0.727SS**THydrogen-bonded Turntrans-100.631.5-173.8-145.6175.58400114K444K444-M446 VanDerWaalsContact C-N 3.27Å; K444-M446 PolarHBondContact O-N 3.18Å
447G38.6Very low31.8Very low62 Ų62130.7 Ų130.764%0.63972%0.717SS**  trans-176.564.3-177.900000117.8
448I31Very low31.5Very low165 Ų165133.1 Ų133.185%0.84673%0.73SS**  trans-137.3134.3150.8-83.2107.1000108.5
449T27.6Very low31Very low134 Ų134136.9 Ų136.982%0.82275%0.746SS**  trans-91.1151.4-178.6-49.70000111.6E451T449-E451 PolarHBondContact O-N 2.95Å
450R32.4Very low31Very low242 Ų242136 Ų13691%0.91374%0.741SS**  trans-58111.9173.8170.3-171.4176.8157.9-0.7112.8
451E25.9Very low30.2Very low169 Ų169138.6 Ų138.679%0.7975%0.747SS**  trans-167.3162.1148.7-121.8167.7-142.400113.8T449T449-E451 PolarHBondContact O-N 2.95Å
452N25Very low29.6Very low133 Ų133141.5 Ų141.571%0.71177%0.765SS**  trans73.4103.2160.9-61.9-36.1000122.7
453T24.2Very low29.1Very low109 Ų109140.4 Ų140.467%0.66977%0.765SS**  93101.4113.6-54.50000122.3
454Q23.2Very low28.9Very low184 Ų184141 Ų14186%0.8677%0.767SS**  trans41.8119.1131.3-56.1176.6-60.100122.9
455A25.1Very low28.2Very low95 Ų95137.4 Ų137.479%0.78576%0.762SS**  176.2130.2117.100000108.7
456S21.7Very low27.8Very low114 Ų114139.1 Ų139.180%0.79777%0.77SS**  53.7117.370.8-126.20000111.3
457V25.9Very low27.1Very low118 Ų118136.3 Ų136.372%0.71576%0.763SS**  cis-159.7155.936.7158.80000106.9
458E25.8Very low26.3Very low185 Ų185139.5 Ų139.586%0.86477%0.774SS**  cis-148.3-16716-145.1142.9-12200112.2
459D23Very low26Very low133 Ų133138.6 Ų138.671%0.71177%0.769SS**  trans-149.1154.6173-155.9-3.7000108.5
460P34.9Very low25.8Very low107 Ų107141.9 Ų141.970%0.69577%0.766SS**  -156.5148.285.939.1-18.6000118.7
461L25.3Very low25.4Very low134 Ų134135.8 Ų135.870%0.70276%0.761SS**  trans49.8132.3139.4-81.968.6000119.6
462N25.8Very low25.3Very low149 Ų149132.5 Ų132.580%0.79775%0.749SS**  cis-153.7156.930.1-92.2-45.6000112.1
463D25Very low25.4Very low139 Ų139135.4 Ų135.474%0.74376%0.756SS**  trans-113165.8167.9-152.56.8000108.4S465D463-S465 PolarHBondContact OD1-N 3.17Å
464P35Very low25.4Very low112 Ų112135.8 Ų135.873%0.72775%0.753SS**  -143.713366.936.7-16.6000117.2
465S24.6Very low25.5Very low85 Ų85134.2 Ų134.259%0.59475%0.746SS**  trans61.1110134.271.10000120.1D463D463-S465 PolarHBondContact OD1-N 3.17Å
466L26.3Very low25.5Very low172 Ų172137.7 Ų137.790%0.90175%0.75SS**  -166.8103.3110.1-108.7166.6000111.3
467V22.6Very low25.6Very low121 Ų121137.8 Ų137.873%0.73375%0.745SS**  trans-103.4125.3174.4177.80000109.5I469V467-I469 HydrophobicContact CG1-CB 4.45Å; V467-I469 HydrophobicContact CG1-CD1 3.85Å; V467-I469 HydrophobicContact CG1-CG1 3.75Å
468C21.6Very low25.4Very low129 Ų129141.5 Ų141.587%0.87275%0.748SS**  trans-125.296.5162.5-169.80000108.5
469I24.6Very low25.3Very low146 Ų146141.2 Ų141.275%0.74974%0.743SS**  trans-93.4128.4174.6-76.3170.8000109.2V467V467-I469 HydrophobicContact CG1-CB 4.45Å; V467-I469 HydrophobicContact CG1-CD1 3.85Å; V467-I469 HydrophobicContact CG1-CG1 3.75Å
470R23.4Very low25.3Very low203 Ų203140 Ų14077%0.76675%0.746SS**  trans-60.1132.3169.4169.7-171.8178158.65.1111.5D472R470-D472 IonicContact CZ-OD2 3.8Å; R470-D472 IonicContact NE-OD2 3.88Å; R470-D472 PolarHBondContact NE-OD2 2.92Å; R470-D472 IonicContact NH2-OD2 2.89Å; R470-D472 PolarHBondContact NH2-OD2 3.19Å
471S24.6Very low24.8Very low114 Ų114140.5 Ų140.580%0.79775%0.752SS**  trans-128.8132.6163.545.40000110.1
472D24.3Very low24.8Very low101 Ų101141.8 Ų141.854%0.5475%0.754SS.*  trans-109.8144.4178.2-74.9-64.6000109.2R470R470-D472 IonicContact CZ-OD2 3.8Å; R470-D472 IonicContact NE-OD2 3.88Å; R470-D472 PolarHBondContact NE-OD2 2.92Å; R470-D472 IonicContact NH2-OD2 2.89Å; R470-D472 PolarHBondContact NH2-OD2 3.19Å
473F26.8Very low24.7Very low194 Ų194142.8 Ų142.885%0.85176%0.758SS**  trans69157.7173.4-60.3-74.4000117.4
474N24.3Very low24.9Very low116 Ų116141.2 Ų141.262%0.6275%0.754SS**  cis-145.1169.89.8-14716.1000114.6
475E25Very low24.4Very low152 Ų152140.7 Ų140.771%0.7175%0.753SS**  trans26.8136.7153.6-73.2174.1118.800122.7
476I25.3Very low24.4Very low168 Ų168145.1 Ų145.186%0.86276%0.764SS**  trans-150.3144.1130.9-101.7149.9000109.3
477V23.7Very low24.4Very low115 Ų115143.7 Ų143.770%0.69776%0.757SS**  trans-133.9158.7173.2-167.20000108.6
478Y22.1Very low24.4Very low197 Ų197145.8 Ų145.877%0.77376%0.764SS**  trans87.6115.4168.2-92.1-86000121
479K22.5Very low24.7Very low178 Ų178144.8 Ų144.877%0.77476%0.758SS**  trans45.1115.2139.2-79-171179-176.50122.3
480S24.2Very low24.8Very low109 Ų109142.6 Ų142.676%0.76276%0.756SS**  52.6102.1107.7174.10000120.4
481S24.7Very low25Very low117 Ų117141.3 Ų141.382%0.81876%0.758SS**  trans-143.8133134.147.70000108.5
482H24.4Very low25Very low160 Ų160142.9 Ų142.974%0.74176%0.757SS**  8610650.9-140.4-68.5000113.2
483L24.7Very low25.2Very low171 Ų171144.3 Ų144.390%0.89577%0.765SS**  trans-151.4121.5159.9-119.3164000109.5
484T28Very low25.2Very low106 Ų106143.5 Ų143.565%0.6576%0.764SS**  trans-93.3173.9175.5510000109.2
485S25.1Very low25.3Very low100 Ų100142.7 Ų142.770%0.69977%0.767SS**  cis-161.5159.315.345.70000109.6
486E24.8Very low25.3Very low178 Ų178141.7 Ų141.783%0.83277%0.771SS**  -166.7124.3122.2-110.7171.1-165.300114.9
487N26.1Very low25.4Very low143 Ų143139 Ų13977%0.76577%0.767SS**  trans31.3120.4144.3-69-28.4000123.7
488L23.4Very low25.6Very low165 Ų165138.5 Ų138.586%0.86478%0.776SS**  76.4105.3120.4-157.688.5000120.4
489S26.9Very low25.8Very low107 Ų107134.9 Ų134.975%0.74877%0.774SS**  -169.7140.6119.950.70000113.7
490S27.5Very low26.1Very low101 Ų101135 Ų13571%0.70678%0.777SS**  trans36.8118.2154.456.30000121.5
491Q26.1Very low26.3Very low176 Ų176133.9 Ų133.982%0.82278%0.775SS**  22.9140.7114.3-68.6179.8-27.100118.6
492L26Very low26.5Very low147 Ų147134.9 Ų134.977%0.7777%0.771SS**  cis-156.1169.227-158.273.2000111.7
493N26.9Very low26.7Very low130 Ų130136.2 Ų136.270%0.69578%0.778SS**  trans-63.6173.6153-65.8-9.4000109.2
494E27.4Very low26.9Very low178 Ų178135 Ų13583%0.83277%0.772SS**  cis-163.7-168.734.5-157.4146.3-117.800111.8
495S25.9Very low28Very low98 Ų98134 Ų13469%0.68577%0.767SS**  trans-103-172.9-168.360.10000114.8
496T26.1Very low28.2Very low132 Ų132134.9 Ų134.981%0.8177%0.768SS**  trans91.8165.7153.6-7.60000117.5
497S27.1Very low28.5Very low111 Ų111132.7 Ų132.778%0.77677%0.767SS**  trans-132.6151.2-150.7540000113.9
498A27.4Very low28.8Very low105 Ų105130.2 Ų130.287%0.86876%0.761SS**  trans-151.7165.3164.900000112.8
499T26.8Very low29.3Very low120 Ų120131.6 Ų131.674%0.73676%0.76SS**  trans-103.8171.6-160.3-27.60000114.4
500E28.6Very low29.6Very low180 Ų180130.5 Ų130.584%0.84175%0.753SS**  trans72.8151.9150.8-91.3149.4-133.500118.8
501A28.9Very low30.1Very low86 Ų86132.1 Ų132.171%0.71176%0.759SS**  cis-152.2154.5-1.100000114.2
502D28.2Very low31.5Very low139 Ų139128.5 Ų128.574%0.74375%0.75SS**  trans47.8122.3133.4-166.236.5000124
503Q28.8Very low32.2Very low188 Ų188127 Ų12788%0.87975%0.748SS**  -171.3150.8120.1-103.1174.724.900113.9
504D28.6Very low33.2Very low144 Ų144131.9 Ų131.977%0.7777%0.774SS**  trans-118.2-162.6-170.5-155.319.4000109.9
505P52.2Low33.5Very low87 Ų87129.6 Ų129.657%0.56577%0.771SS**  cis-122.7-177.6-41.316.27.8000113.3
506T28.8Very low33.9Very low117 Ų117131.3 Ų131.372%0.71878%0.775SS**  163138.8114.3400000116.4
507T31.2Very low34.3Very low132 Ų132131.2 Ų131.281%0.8177%0.773SS**  trans62.6144.5152.747.70000120.3
508S31.3Very low34.7Very low91 Ų91132.4 Ų132.464%0.63677%0.773SS**  cis-168.2152.8-9.555.70000112.3
509K33.8Very low35.2Very low194 Ų194134.1 Ų134.184%0.84377%0.767SS**  trans58.7155.1144.7-74.9176.3179.41790120.1
510S33.1Very low35.7Very low85 Ų85135.1 Ų135.159%0.59477%0.769SS**  cis-178112.7-3250.30000109.7
511T37.8Very low36.2Very low135 Ų135131.9 Ų131.983%0.82876%0.764SS**  trans54.2-179.814245.30000119.6
512P55.6Low36.8Very low100 Ų100135.4 Ų135.465%0.64977%0.768SS**  -135.6-178.2-6340-24.3000115.2
513T41.8Very low37.5Very low116 Ų116135.1 Ų135.171%0.71277%0.77SS**  trans52.9125149.848.10000121.3
514N47Very low38.3Very low232 Ų232130.3 Ų130.3100%1.24176%0.761SS**  -138.7081.8-88-29000110.3

Retrieved 514 of 514 residues in 102.1 ms (Link to these results)

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