A0A5K4ELT2_SCHMA Loading...

Homeobox protein six-related

AlphaFold DB , UniProt , Accession A0A5K4ELT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 187 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
1M39.7Very low73.8Confident242 Ų24295.5 Ų95.5100%1.19250%0.503SS*.  095.40-149.9164.9-171.800106.4M3M1-M3 PolarHBondContact O-N 2.78Å
2S53.6Low75.3Confident88 Ų8893.9 Ų93.962%0.61550%0.504SS*.  trans-60.1125.7171.543.30000107.1D4S2-D4 PolarHBondContact O-N 3.29Å
3M58.8Low76.6Confident102 Ų10290.7 Ų90.750%0.50249%0.486SS..  trans-74.9111.6173.4-70.3-166.5166.900107.4M1 F5M1-M3 PolarHBondContact O-N 2.78Å; M3-F5 HydrophobicContact CB-CD2 3.59Å; M3-F5 HydrophobicContact CB-CE2 3.57Å; M3-F5 HydrophobicContact CB-CG 4.45Å; M3-F5 HydrophobicContact CB-CZ 4.37Å; M3-F5 HydrophobicContact CG-CE2 4.01Å; M3-F5 PolarHBondContact O-N 3.36Å; M3-F5 HydrophobicContact SD-CD2 4.23Å; M3-F5 HydrophobicContact SD-CE2 3.24Å; M3-F5 WeakPolarHBondContact SD-CE2 3.42Å; M3-F5 HydrophobicContact SD-CZ 3.68Å
4D67.9Low77.7Confident153 Ų15384.2 Ų84.282%0.81845%0.451SS*.  trans-75.868.1173.5-71-17.5000109.5S2S2-D4 PolarHBondContact O-N 3.29Å
5F71.9Confident78.8Confident70 Ų7082.3 Ų82.331%0.30744%0.438SS..  trans-83.6144.4167.2-69.7-59.4000109.9M3 Q9 I10 I13 F29M3-F5 HydrophobicContact CB-CD2 3.59Å; M3-F5 HydrophobicContact CB-CE2 3.57Å; M3-F5 HydrophobicContact CB-CG 4.45Å; M3-F5 HydrophobicContact CB-CZ 4.37Å; M3-F5 HydrophobicContact CG-CE2 4.01Å; M3-F5 PolarHBondContact O-N 3.36Å; M3-F5 HydrophobicContact SD-CD2 4.23Å; M3-F5 HydrophobicContact SD-CE2 3.24Å; M3-F5 WeakPolarHBondContact SD-CE2 3.42Å; M3-F5 HydrophobicContact SD-CZ 3.68Å; F5-Q9 HydrophobicContact CB-CB 4.12Å; F5-Q9 HydrophobicContact CD1-CB 4.27Å; F5-I10 HydrophobicContact CB-CD1 3.97Å; F5-I10 HydrophobicContact CB-CG1 3.5Å; F5-I10 VanDerWaalsContact CB-CG1 3.5Å; F5-I10 HydrophobicContact CD2-CG1 4.44Å; F5-I10 HydrophobicContact CG-CG1 4.37Å; F5-I13 HydrophobicContact CD2-CD1 4.47Å; F5-I13 HydrophobicContact CE1-CD1 4.36Å; F5-I13 HydrophobicContact CE2-CD1 4.24Å; F5-I13 HydrophobicContact CZ-CD1 4.2Å; F5-F29 HydrophobicContact CD2-CE2 4.22Å; F5-F29 HydrophobicContact CD2-CZ 4.36Å; F5-F29 AromaticContact CE2-CE2 3.92Å; F5-F29 HydrophobicContact CE2-CE2 3.92Å; F5-F29 HydrophobicContact CE2-CZ 4.47Å
6S83.1Confident79.8Confident57 Ų5781.6 Ų81.640%0.39944%0.438SS..  trans-65154.9166.874.50000110.4N8 Q9 I10S6-N8 PolarHBondContact O-N 3.41Å; S6-Q9 WeakPolarHBondContact O-CB 3.48Å; S6-Q9 PolarHBondContact O-N 3.24Å; S6-Q9 WeakPolarHBondContact OG-CG 3.32Å; S6-Q9 PolarHBondContact OG-N 3.23Å; S6-I10 WeakPolarHBondContact O-CG1 3.38Å; S6-I10 PolarHBondContact O-N 2.89Å
7L83.7Confident80.7Confident68 Ų6877.4 Ų77.436%0.35642%0.416SS..Hα-helixtrans-53.1-42.1176.8-178.662.2000111.6Q9 I10 E11 Y39 I45L7-Q9 VanDerWaalsContact C-N 3.35Å; L7-Q9 PolarHBondContact O-N 3.28Å; L7-I10 PolarHBondContact O-N 2.97Å; L7-E11 WeakPolarHBondContact O-CG 3.38Å; L7-E11 PolarHBondContact O-N 3.43Å; L7-Y39 HydrophobicContact CD1-CD1 3.83Å; L7-Y39 HydrophobicContact CD1-CE1 4.03Å; L7-I45 HydrophobicContact CD1-CD1 4.07Å
8N86.4Confident81.4Confident119 Ų11974.6 Ų74.664%0.63640%0.398SS*.Hα-helixtrans-63.2-37.9178.3-63.6-5.3000112.7S6 C12S6-N8 PolarHBondContact O-N 3.41Å; N8-C12 VanDerWaalsContact O-CB 3.31Å; N8-C12 WeakPolarHBondContact O-CB 3.49Å; N8-C12 PolarHBondContact O-N 3.45Å
9Q88.5Confident82Confident96 Ų9675.9 Ų75.945%0.44941%0.406SS..Hα-helixtrans-67.2-42.5175.5-75168.8-22.300111F5 S6 L7 C12 I13F5-Q9 HydrophobicContact CB-CB 4.12Å; F5-Q9 HydrophobicContact CD1-CB 4.27Å; S6-Q9 WeakPolarHBondContact O-CB 3.48Å; S6-Q9 PolarHBondContact O-N 3.24Å; S6-Q9 WeakPolarHBondContact OG-CG 3.32Å; S6-Q9 PolarHBondContact OG-N 3.23Å; L7-Q9 VanDerWaalsContact C-N 3.35Å; L7-Q9 PolarHBondContact O-N 3.28Å; Q9-C12 PolarHBondContact O-N 3.34Å; Q9-I13 WeakPolarHBondContact O-CB 3.17Å; Q9-I13 WeakPolarHBondContact O-CD1 3.47Å; Q9-I13 WeakPolarHBondContact O-CG1 3.24Å; Q9-I13 PolarHBondContact O-N 3.34Å
10I88.3Confident82.6Confident0 Ų077.2 Ų77.20%041%0.412CS..Hα-helixtrans-63.1-46.2177.5-64.9174.1000110.7F5 S6 L7 I13 C14 F29 I33 Y39 I45F5-I10 HydrophobicContact CB-CD1 3.97Å; F5-I10 HydrophobicContact CB-CG1 3.5Å; F5-I10 VanDerWaalsContact CB-CG1 3.5Å; F5-I10 HydrophobicContact CD2-CG1 4.44Å; F5-I10 HydrophobicContact CG-CG1 4.37Å; S6-I10 WeakPolarHBondContact O-CG1 3.38Å; S6-I10 PolarHBondContact O-N 2.89Å; L7-I10 PolarHBondContact O-N 2.97Å; I10-I13 PolarHBondContact O-N 3.11Å; I10-C14 VanDerWaalsContact O-CB 3.3Å; I10-C14 WeakPolarHBondContact O-CB 3.47Å; I10-C14 PolarHBondContact O-N 3.22Å; I10-C14 PolarHBondContact O-SG 3.07Å; I10-C14 VanDerWaalsContact O-SG 3.36Å; I10-F29 HydrophobicContact CG1-CZ 4.39Å; I10-F29 HydrophobicContact CG2-CE1 3.98Å; I10-F29 HydrophobicContact CG2-CZ 4.32Å; I10-I33 HydrophobicContact CG2-CD1 3.55Å; I10-Y39 HydrophobicContact CD1-CE1 3.49Å; I10-Y39 VanDerWaalsContact CD1-CE1 3.49Å; I10-Y39 HydrophobicContact CD1-CE2 4.44Å; I10-Y39 VanDerWaalsContact CD1-CZ 3.45Å; I10-Y39 WeakPolarHBondContact CD1-OH 3.23Å; I10-I45 HydrophobicContact CG2-CD1 3.64Å; I10-I45 HydrophobicContact CG2-CG1 4.2Å
11E89.8Confident83Confident55 Ų5581.3 Ų81.326%0.25743%0.429SS..Hα-helixtrans-56.5-49.5174.4-76.9178.4-15500111.7L7 I13 C14 Q15 N42L7-E11 WeakPolarHBondContact O-CG 3.38Å; L7-E11 PolarHBondContact O-N 3.43Å; E11-I13 PolarHBondContact O-N 3.14Å; E11-C14 PolarHBondContact O-N 2.88Å; E11-Q15 VanDerWaalsContact O-CB 3.26Å; E11-Q15 WeakPolarHBondContact O-CB 3.14Å; E11-Q15 PolarHBondContact O-N 3.49Å; E11-N42 WeakPolarHBondContact CG-ND2 3.29Å; E11-N42 PolarHBondContact OE1-ND2 3.21Å
12C92.1Very high85.6Confident77 Ų7772.7 Ų72.752%0.5239%0.386SS..Hα-helixtrans-59.9-47.5179.8-174.30000111.4N8 Q9 Q15 V16N8-C12 VanDerWaalsContact O-CB 3.31Å; N8-C12 WeakPolarHBondContact O-CB 3.49Å; N8-C12 PolarHBondContact O-N 3.45Å; Q9-C12 PolarHBondContact O-N 3.34Å; C12-Q15 PolarHBondContact O-N 2.96Å; C12-V16 VanDerWaalsContact O-CG2 3.31Å; C12-V16 WeakPolarHBondContact O-CG2 3.45Å; C12-V16 PolarHBondContact O-N 3.17Å
13I91.7Very high87.5Confident52 Ų5270.6 Ų70.627%0.26737%0.367SS..Hα-helixtrans-61.4-48.2177.4-66.5163.3000110.6F5 Q9 I10 E11 Q15 V16 L17 F29F5-I13 HydrophobicContact CD2-CD1 4.47Å; F5-I13 HydrophobicContact CE1-CD1 4.36Å; F5-I13 HydrophobicContact CE2-CD1 4.24Å; F5-I13 HydrophobicContact CZ-CD1 4.2Å; Q9-I13 WeakPolarHBondContact O-CB 3.17Å; Q9-I13 WeakPolarHBondContact O-CD1 3.47Å; Q9-I13 WeakPolarHBondContact O-CG1 3.24Å; Q9-I13 PolarHBondContact O-N 3.34Å; I10-I13 PolarHBondContact O-N 3.11Å; E11-I13 PolarHBondContact O-N 3.14Å; I13-Q15 VanDerWaalsContact C-N 3.32Å; I13-Q15 PolarHBondContact O-N 3.42Å; I13-V16 PolarHBondContact O-N 3.03Å; I13-L17 HydrophobicContact CG2-CD1 3.77Å; I13-L17 HydrophobicContact CG2-CG 4.27Å; I13-L17 WeakPolarHBondContact O-CB 3.34Å; I13-L17 VanDerWaalsContact O-CG 3.26Å; I13-L17 WeakPolarHBondContact O-CG 3.42Å; I13-L17 PolarHBondContact O-N 3.03Å; I13-F29 HydrophobicContact CB-CE1 4.11Å; I13-F29 HydrophobicContact CB-CE2 4.43Å; I13-F29 HydrophobicContact CB-CZ 3.9Å; I13-F29 HydrophobicContact CD1-CE2 4.01Å; I13-F29 HydrophobicContact CD1-CZ 3.86Å; I13-F29 HydrophobicContact CG2-CD1 4.04Å; I13-F29 HydrophobicContact CG2-CD2 4.05Å; I13-F29 HydrophobicContact CG2-CE1 3.76Å; I13-F29 HydrophobicContact CG2-CE2 3.79Å; I13-F29 HydrophobicContact CG2-CG 4.18Å; I13-F29 HydrophobicContact CG2-CZ 3.64Å
14C92.8Very high89.1Confident0 Ų071.9 Ų71.90%038%0.376CS..Hα-helixtrans-57.5-45.7176.7-79.80000111.5I10 E11 L17 Y18 L26 V44I10-C14 VanDerWaalsContact O-CB 3.3Å; I10-C14 WeakPolarHBondContact O-CB 3.47Å; I10-C14 PolarHBondContact O-N 3.22Å; I10-C14 PolarHBondContact O-SG 3.07Å; I10-C14 VanDerWaalsContact O-SG 3.36Å; E11-C14 PolarHBondContact O-N 2.88Å; C14-L17 PolarHBondContact O-N 3.37Å; C14-Y18 WeakPolarHBondContact O-CB 3.26Å; C14-Y18 PolarHBondContact O-N 3.2Å; C14-L26 HydrophobicContact CB-CD1 4.47Å; C14-V44 HydrophobicContact CB-CG1 4.01Å
15Q92.9Very high90.4Very high55 Ų5571.9 Ų71.926%0.25737%0.365SS..Hα-helixtrans-65.6-40.3-178.2-171.159.669.900112.2E11 C12 I13 N19 V44E11-Q15 VanDerWaalsContact O-CB 3.26Å; E11-Q15 WeakPolarHBondContact O-CB 3.14Å; E11-Q15 PolarHBondContact O-N 3.49Å; C12-Q15 PolarHBondContact O-N 2.96Å; I13-Q15 VanDerWaalsContact C-N 3.32Å; I13-Q15 PolarHBondContact O-N 3.42Å; Q15-N19 PolarHBondContact NE2-ND2 3.31Å; Q15-N19 PolarHBondContact NE2-OD1 2.99Å; Q15-N19 WeakPolarHBondContact O-CB 3.19Å; Q15-N19 PolarHBondContact O-N 3.45Å; Q15-N19 PolarHBondContact O-ND2 3.43Å; Q15-N19 PolarHBondContact O-OD1 3.44Å; Q15-V44 HydrophobicContact CB-CG1 4.07Å
16V95.6Very high91.4Very high71 Ų7168.5 Ų68.543%0.4335%0.35SS..Hα-helixtrans-64.7-53.7175.1171.90000110.4C12 I13 Y18 N19 D20C12-V16 VanDerWaalsContact O-CG2 3.31Å; C12-V16 WeakPolarHBondContact O-CG2 3.45Å; C12-V16 PolarHBondContact O-N 3.17Å; I13-V16 PolarHBondContact O-N 3.03Å; V16-Y18 PolarHBondContact O-N 3.01Å; V16-N19 PolarHBondContact O-N 2.8Å; V16-N19 VanDerWaalsContact O-N 3.11Å; V16-D20 WeakPolarHBondContact CG1-OD2 3.33Å; V16-D20 WeakPolarHBondContact O-CB 3.41Å; V16-D20 PolarHBondContact O-N 3.02Å
17L94.7Very high91.8Very high11 Ų1170.1 Ų70.16%0.05835%0.35CS..Hα-helixtrans-59.2-35.9179.6-67.2175.9000112.3I13 C14 Q21 E22 R25 L26 F29I13-L17 HydrophobicContact CG2-CD1 3.77Å; I13-L17 HydrophobicContact CG2-CG 4.27Å; I13-L17 WeakPolarHBondContact O-CB 3.34Å; I13-L17 VanDerWaalsContact O-CG 3.26Å; I13-L17 WeakPolarHBondContact O-CG 3.42Å; I13-L17 PolarHBondContact O-N 3.03Å; C14-L17 PolarHBondContact O-N 3.37Å; L17-Q21 PolarHBondContact O-N 3.5Å; L17-E22 HydrophobicContact CD2-CB 4.19Å; L17-E22 WeakPolarHBondContact CD2-OE2 3.4Å; L17-E22 PolarHBondContact O-N 2.83Å; L17-R25 HydrophobicContact CD2-CB 3.9Å; L17-L26 HydrophobicContact CB-CB 4.18Å; L17-L26 HydrophobicContact CB-CD1 4.1Å; L17-L26 HydrophobicContact CD1-CB 4.49Å; L17-L26 HydrophobicContact CD1-CD1 4.31Å; L17-F29 HydrophobicContact CD1-CB 4.12Å; L17-F29 HydrophobicContact CD1-CG 4.37Å
18Y93.3Very high92.2Very high26 Ų2670.2 Ų70.210%0.10235%0.353CS..Hα-helixtrans-65.8-48175.3-172.5-86.4000112C14 V16 Q21 L26 K47 L51 E78C14-Y18 WeakPolarHBondContact O-CB 3.26Å; C14-Y18 PolarHBondContact O-N 3.2Å; V16-Y18 PolarHBondContact O-N 3.01Å; Y18-Q21 PolarHBondContact O-N 3.21Å; Y18-L26 HydrophobicContact CD2-CD2 4.35Å; Y18-K47 HydrophobicContact CE1-CD 4.36Å; Y18-K47 HydrophobicContact CE2-CD 4.32Å; Y18-K47 HydrophobicContact CE2-CG 3.86Å; Y18-L51 HydrophobicContact CD2-CD2 3.7Å; Y18-L51 HydrophobicContact CE2-CB 3.94Å; Y18-L51 HydrophobicContact CE2-CD2 3.43Å; Y18-L51 VanDerWaalsContact CE2-CD2 3.43Å; Y18-L51 HydrophobicContact CE2-CG 4.28Å; Y18-E78 WeakPolarHBondContact CE1-OE1 3.41Å; Y18-E78 VanDerWaalsContact CZ-OE1 3.25Å; Y18-E78 PolarHBondContact OH-OE1 3.33Å
19N92.8Very high92.4Very high101 Ų10165.6 Ų65.654%0.5433%0.328SS..Hα-helixtrans-66.7-37.8-179.1-71.2-12.4000112.2Q15 V16 Q21Q15-N19 PolarHBondContact NE2-ND2 3.31Å; Q15-N19 PolarHBondContact NE2-OD1 2.99Å; Q15-N19 WeakPolarHBondContact O-CB 3.19Å; Q15-N19 PolarHBondContact O-N 3.45Å; Q15-N19 PolarHBondContact O-ND2 3.43Å; Q15-N19 PolarHBondContact O-OD1 3.44Å; V16-N19 PolarHBondContact O-N 2.8Å; V16-N19 VanDerWaalsContact O-N 3.11Å; N19-Q21 PolarHBondContact O-N 3.36Å
20D94.1Very high92.4Very high100 Ų10062 Ų6254%0.53531%0.311SS..THydrogen-bonded Turntrans-77.7-0.9178.2-65.6-11.9000112.6V16 E22V16-D20 WeakPolarHBondContact CG1-OD2 3.33Å; V16-D20 WeakPolarHBondContact O-CB 3.41Å; V16-D20 PolarHBondContact O-N 3.02Å; D20-E22 HydrophobicContact CB-CG 3.98Å; D20-E22 PolarHBondContact O-N 2.82Å
21Q91.7Very high92.4Very high164 Ų16466 Ų6677%0.76634%0.339SS*.THydrogen-bonded Turntrans58.126.5-177.5-53.8-177.315.600113.9L17 Y18 N19 I23L17-Q21 PolarHBondContact O-N 3.5Å; Y18-Q21 PolarHBondContact O-N 3.21Å; N19-Q21 PolarHBondContact O-N 3.36Å; Q21-I23 VanDerWaalsContact C-N 3.26Å; Q21-I23 PolarHBondContact O-N 3.2Å
22E93.5Very high92.2Very high62 Ų6269.4 Ų69.429%0.2935%0.353SS..  trans-83.166.4179.9-64.5-168.7158.100111.7L17 D20 D24 R25 L26L17-E22 HydrophobicContact CD2-CB 4.19Å; L17-E22 WeakPolarHBondContact CD2-OE2 3.4Å; L17-E22 PolarHBondContact O-N 2.83Å; D20-E22 HydrophobicContact CB-CG 3.98Å; D20-E22 PolarHBondContact O-N 2.82Å; E22-D24 VanDerWaalsContact C-N 3.34Å; E22-D24 PolarHBondContact O-N 2.94Å; E22-R25 HydrophobicContact CB-CB 4.16Å; E22-R25 PolarHBondContact O-N 3.49Å; E22-R25 IonicContact OE1-CZ 3.94Å; E22-R25 IonicContact OE1-NH1 2.68Å; E22-R25 PolarHBondContact OE1-NH1 3.26Å; E22-R25 WeakPolarHBondContact OE2-CD 3.43Å; E22-R25 IonicContact OE2-CZ 2.99Å; E22-R25 IonicContact OE2-NE 3.09Å; E22-R25 PolarHBondContact OE2-NE 2.87Å; E22-R25 VanDerWaalsContact OE2-NE 3.09Å; E22-R25 IonicContact OE2-NH1 3.43Å; E22-R25 PolarHBondContact OE2-NH1 2.85Å; E22-R25 IonicContact OE2-NH2 3.95Å; E22-L26 WeakPolarHBondContact O-CB 3.32Å; E22-L26 PolarHBondContact O-N 3.48Å
23I93Very high91.7Very high43 Ų4366.3 Ų66.322%0.22133%0.331CS..Hα-helixtrans-63-36.8-170-55.9-166.8000112.7Q21 L26 K27 L51 V52 V55Q21-I23 VanDerWaalsContact C-N 3.26Å; Q21-I23 PolarHBondContact O-N 3.2Å; I23-L26 PolarHBondContact O-N 3.11Å; I23-K27 VanDerWaalsContact O-CB 3.3Å; I23-K27 WeakPolarHBondContact O-CB 3.33Å; I23-K27 PolarHBondContact O-N 3.25Å; I23-L51 HydrophobicContact CD1-CD1 4.17Å; I23-L51 HydrophobicContact CD1-CD2 3.94Å; I23-L51 HydrophobicContact CD1-CG 4.07Å; I23-L51 HydrophobicContact CG1-CD2 4.26Å; I23-V52 HydrophobicContact CG2-CG2 4.47Å; I23-V55 HydrophobicContact CD1-CG2 3.74Å; I23-V55 HydrophobicContact CG2-CB 4.31Å; I23-V55 HydrophobicContact CG2-CG1 4.27Å; I23-V55 HydrophobicContact CG2-CG2 4.09Å
24D94.2Very high90.7Very high129 Ų12967.1 Ų67.169%0.6934%0.342SS*.Hα-helixtrans-66.2-40178.5-67.7-52.7000112.2E22 T28E22-D24 VanDerWaalsContact C-N 3.34Å; E22-D24 PolarHBondContact O-N 2.94Å; D24-T28 WeakPolarHBondContact O-CB 3.22Å; D24-T28 PolarHBondContact O-N 3.36Å; D24-T28 PolarHBondContact O-OG1 2.87Å
25R94.3Very high89.4Confident153 Ų15373.2 Ų73.258%0.57738%0.379SS*.Hα-helixtrans-68.2-41.9174.6-73.6-179.357.5-168.35.2110.5L17 E22 T28 F29L17-R25 HydrophobicContact CD2-CB 3.9Å; E22-R25 HydrophobicContact CB-CB 4.16Å; E22-R25 PolarHBondContact O-N 3.49Å; E22-R25 IonicContact OE1-CZ 3.94Å; E22-R25 IonicContact OE1-NH1 2.68Å; E22-R25 PolarHBondContact OE1-NH1 3.26Å; E22-R25 WeakPolarHBondContact OE2-CD 3.43Å; E22-R25 IonicContact OE2-CZ 2.99Å; E22-R25 IonicContact OE2-NE 3.09Å; E22-R25 PolarHBondContact OE2-NE 2.87Å; E22-R25 VanDerWaalsContact OE2-NE 3.09Å; E22-R25 IonicContact OE2-NH1 3.43Å; E22-R25 PolarHBondContact OE2-NH1 2.85Å; E22-R25 IonicContact OE2-NH2 3.95Å; R25-T28 PolarHBondContact O-N 3.1Å; R25-F29 VanDerWaalsContact O-CB 3.32Å; R25-F29 WeakPolarHBondContact O-CB 3.38Å; R25-F29 PolarHBondContact O-N 3.41Å
26L93.3Very high88.2Confident0 Ų073.1 Ų73.10%038%0.382CS..Hα-helixtrans-59.9-47.1174.5-176.261000111.8C14 L17 Y18 E22 I23 T28 F29 L30 C48 V52C14-L26 HydrophobicContact CB-CD1 4.47Å; L17-L26 HydrophobicContact CB-CB 4.18Å; L17-L26 HydrophobicContact CB-CD1 4.1Å; L17-L26 HydrophobicContact CD1-CB 4.49Å; L17-L26 HydrophobicContact CD1-CD1 4.31Å; Y18-L26 HydrophobicContact CD2-CD2 4.35Å; E22-L26 WeakPolarHBondContact O-CB 3.32Å; E22-L26 PolarHBondContact O-N 3.48Å; I23-L26 PolarHBondContact O-N 3.11Å; L26-T28 VanDerWaalsContact C-N 3.35Å; L26-T28 PolarHBondContact O-N 2.59Å; L26-F29 PolarHBondContact O-N 3.21Å; L26-L30 HydrophobicContact CD1-CD1 4.39Å; L26-L30 HydrophobicContact CD1-CG 4.2Å; L26-L30 HydrophobicContact CG-CD1 4.22Å; L26-L30 HydrophobicContact CG-CG 4.4Å; L26-L30 WeakPolarHBondContact O-CB 3.46Å; L26-L30 WeakPolarHBondContact O-CG 3.46Å; L26-L30 PolarHBondContact O-N 3.42Å; L26-C48 HydrophobicContact CD1-CB 3.93Å; L26-C48 HydrophobicContact CD2-CB 3.88Å; L26-C48 HydrophobicContact CG-CB 4.27Å; L26-V52 HydrophobicContact CD2-CG2 4.25Å; L26-V52 HydrophobicContact CG-CG2 4.22Å
27K91.7Very high86.8Confident90 Ų9074.9 Ų74.939%0.39139%0.393SS..Hα-helixtrans-59.3-45.4176.8178.7175.2176.4173.20111.6I23 F29 S31 V52 N56I23-K27 VanDerWaalsContact O-CB 3.3Å; I23-K27 WeakPolarHBondContact O-CB 3.33Å; I23-K27 PolarHBondContact O-N 3.25Å; K27-F29 VanDerWaalsContact C-N 3.32Å; K27-F29 PolarHBondContact O-N 3.34Å; K27-S31 PolarHBondContact O-N 3.36Å; K27-S31 PolarHBondContact O-OG 3.35Å; K27-V52 HydrophobicContact CB-CG1 4.12Å; K27-V52 HydrophobicContact CB-CG2 4.22Å; K27-V52 HydrophobicContact CD-CG1 4.3Å; K27-V52 HydrophobicContact CG-CG1 3.95Å; K27-N56 PolarHBondContact NZ-OD1 3.42Å
28T91.6Very high85.6Confident70 Ų7081.2 Ų81.243%0.42942%0.424SS..Hα-helixtrans-65.8-35.1177.3-57.10000112.1D24 R25 L26 S31 K32D24-T28 WeakPolarHBondContact O-CB 3.22Å; D24-T28 PolarHBondContact O-N 3.36Å; D24-T28 PolarHBondContact O-OG1 2.87Å; R25-T28 PolarHBondContact O-N 3.1Å; L26-T28 VanDerWaalsContact C-N 3.35Å; L26-T28 PolarHBondContact O-N 2.59Å; T28-S31 PolarHBondContact O-OG 3.27Å; T28-K32 WeakPolarHBondContact O-CG 3.36Å
29F90.3Very high84.7Confident23 Ų2381.6 Ų81.610%0.10143%0.426CS..Hα-helixtrans-71.2-48.5176.5-176.6-106000111.3F5 I10 I13 L17 R25 L26 K27 S31 K32 I33F5-F29 HydrophobicContact CD2-CE2 4.22Å; F5-F29 HydrophobicContact CD2-CZ 4.36Å; F5-F29 AromaticContact CE2-CE2 3.92Å; F5-F29 HydrophobicContact CE2-CE2 3.92Å; F5-F29 HydrophobicContact CE2-CZ 4.47Å; I10-F29 HydrophobicContact CG1-CZ 4.39Å; I10-F29 HydrophobicContact CG2-CE1 3.98Å; I10-F29 HydrophobicContact CG2-CZ 4.32Å; I13-F29 HydrophobicContact CB-CE1 4.11Å; I13-F29 HydrophobicContact CB-CE2 4.43Å; I13-F29 HydrophobicContact CB-CZ 3.9Å; I13-F29 HydrophobicContact CD1-CE2 4.01Å; I13-F29 HydrophobicContact CD1-CZ 3.86Å; I13-F29 HydrophobicContact CG2-CD1 4.04Å; I13-F29 HydrophobicContact CG2-CD2 4.05Å; I13-F29 HydrophobicContact CG2-CE1 3.76Å; I13-F29 HydrophobicContact CG2-CE2 3.79Å; I13-F29 HydrophobicContact CG2-CG 4.18Å; I13-F29 HydrophobicContact CG2-CZ 3.64Å; L17-F29 HydrophobicContact CD1-CB 4.12Å; L17-F29 HydrophobicContact CD1-CG 4.37Å; R25-F29 VanDerWaalsContact O-CB 3.32Å; R25-F29 WeakPolarHBondContact O-CB 3.38Å; R25-F29 PolarHBondContact O-N 3.41Å; L26-F29 PolarHBondContact O-N 3.21Å; K27-F29 VanDerWaalsContact C-N 3.32Å; K27-F29 PolarHBondContact O-N 3.34Å; F29-S31 VanDerWaalsContact C-N 3.31Å; F29-S31 PolarHBondContact O-N 2.92Å; F29-K32 WeakPolarHBondContact O-CB 3.22Å; F29-K32 PolarHBondContact O-N 3.24Å; F29-K32 VanDerWaalsContact O-N 3.11Å; F29-I33 HydrophobicContact CD1-CD1 4.42Å; F29-I33 HydrophobicContact CE1-CD1 4.12Å; F29-I33 HydrophobicContact CZ-CG2 4.38Å; F29-I33 PolarHBondContact O-N 3.31Å
30L89.4Confident83.9Confident21 Ų2180.9 Ų80.911%0.1142%0.419CS..Hα-helixtrans-59.7-39.7178.1-71.6-176.8000112.1L26 K32 I33 S34 I45 C48 R49 V52L26-L30 HydrophobicContact CD1-CD1 4.39Å; L26-L30 HydrophobicContact CD1-CG 4.2Å; L26-L30 HydrophobicContact CG-CD1 4.22Å; L26-L30 HydrophobicContact CG-CG 4.4Å; L26-L30 WeakPolarHBondContact O-CB 3.46Å; L26-L30 WeakPolarHBondContact O-CG 3.46Å; L26-L30 PolarHBondContact O-N 3.42Å; L30-K32 VanDerWaalsContact C-N 3.25Å; L30-K32 PolarHBondContact O-N 2.99Å; L30-I33 HydrophobicContact CD2-CD1 3.92Å; L30-I33 HydrophobicContact CD2-CG1 4.43Å; L30-I33 WeakPolarHBondContact O-CG1 3.42Å; L30-I33 PolarHBondContact O-N 2.85Å; L30-S34 WeakPolarHBondContact O-CB 3.35Å; L30-S34 PolarHBondContact O-N 2.98Å; L30-I45 HydrophobicContact CD2-CG2 3.97Å; L30-C48 HydrophobicContact CD1-CB 4.1Å; L30-R49 HydrophobicContact CD1-CB 4.38Å; L30-V52 HydrophobicContact CD1-CB 4.47Å; L30-V52 HydrophobicContact CD1-CG2 3.93Å
31S87.6Confident83.5Confident83 Ų8382.8 Ų82.858%0.5843%0.429SS*.Hα-helixtrans-64.3-3017869.10000113.1K27 T28 F29K27-S31 PolarHBondContact O-N 3.36Å; K27-S31 PolarHBondContact O-OG 3.35Å; T28-S31 PolarHBondContact O-OG 3.27Å; F29-S31 VanDerWaalsContact C-N 3.31Å; F29-S31 PolarHBondContact O-N 2.92Å
32K85.1Confident83.4Confident127 Ų12775.8 Ų75.855%0.55240%0.397SS*.Hα-helixtrans-76.1-25177.2-69.6172.6-177.4179.40113.4T28 F29 L30T28-K32 WeakPolarHBondContact O-CG 3.36Å; F29-K32 WeakPolarHBondContact O-CB 3.22Å; F29-K32 PolarHBondContact O-N 3.24Å; F29-K32 VanDerWaalsContact O-N 3.11Å; L30-K32 VanDerWaalsContact C-N 3.25Å; L30-K32 PolarHBondContact O-N 2.99Å
33I82Confident83.4Confident11 Ų1175 Ų756%0.05639%0.393CS..Hα-helixtrans-103.7-11-178.667.9168.9000113.7I10 F29 L30 T35 Y39I10-I33 HydrophobicContact CG2-CD1 3.55Å; F29-I33 HydrophobicContact CD1-CD1 4.42Å; F29-I33 HydrophobicContact CE1-CD1 4.12Å; F29-I33 HydrophobicContact CZ-CG2 4.38Å; F29-I33 PolarHBondContact O-N 3.31Å; L30-I33 HydrophobicContact CD2-CD1 3.92Å; L30-I33 HydrophobicContact CD2-CG1 4.43Å; L30-I33 WeakPolarHBondContact O-CG1 3.42Å; L30-I33 PolarHBondContact O-N 2.85Å; I33-T35 PolarHBondContact O-N 3.21Å; I33-Y39 HydrophobicContact CB-CD2 4.44Å; I33-Y39 HydrophobicContact CB-CE2 3.93Å; I33-Y39 HydrophobicContact CD1-CD2 4.42Å; I33-Y39 HydrophobicContact CD1-CE2 4.5Å; I33-Y39 HydrophobicContact CG1-CD2 4.5Å; I33-Y39 HydrophobicContact CG1-CE2 4.45Å; I33-Y39 WeakPolarHBondContact O-CD2 3.47Å; I33-Y39 WeakPolarHBondContact O-CE2 3.39Å
34S70.7Confident83.4Confident70 Ų7074.3 Ų74.349%0.4939%0.391SS..THydrogen-bonded Turntrans-61.81.6-166.9-173.10000116.4L30L30-S34 WeakPolarHBondContact O-CB 3.35Å; L30-S34 PolarHBondContact O-N 2.98Å
35T64.7Low83.3Confident128 Ų12868.6 Ų68.679%0.78536%0.36SS*.THydrogen-bonded Turntrans-84.1-15.8-178.2490000114.5I33I33-T35 PolarHBondContact O-N 3.21Å
36T67.8Low83.3Confident53 Ų5361.8 Ų61.833%0.32534%0.336SS..  trans-100.5128.1-172.4-43.70000112.8M38 Y39T36-M38 HydrophobicContact CG2-CB 4.01Å; T36-M38 HydrophobicContact CG2-CG 4.13Å; T36-M38 PolarHBondContact O-N 2.98Å; T36-Y39 HydrophobicContact CG2-CE2 4.3Å; T36-Y39 WeakPolarHBondContact O-CD2 3.35Å; T36-Y39 PolarHBondContact O-N 3.21Å; T36-Y39 WeakPolarHBondContact OG1-CE2 2.94Å
37T66.3Low83.4Confident108 Ų10862.2 Ų62.266%0.66334%0.338SS*.G310 helixtrans-64.7-24.5178.351.20000114Y39 H40T37-Y39 PolarHBondContact O-N 2.82Å; T37-H40 WeakPolarHBondContact O-CB 3.48Å; T37-H40 PolarHBondContact O-N 2.9Å; T37-H40 VanDerWaalsContact O-N 3.14Å; T37-H40 PolarHBondContact O-ND1 3.09Å
38M70.3Confident83.5Confident143 Ų14357.9 Ų57.970%0.70432%0.319SS*.G310 helixtrans-59.1-27179.4-67.6-139.516800113.4T36 H40T36-M38 HydrophobicContact CG2-CB 4.01Å; T36-M38 HydrophobicContact CG2-CG 4.13Å; T36-M38 PolarHBondContact O-N 2.98Å; M38-H40 VanDerWaalsContact C-N 3.31Å; M38-H40 PolarHBondContact O-N 3.45Å
39Y73.7Confident83.6Confident35 Ų3558.7 Ų58.714%0.13731%0.314CS..G310 helixtrans-76.9-16.6-178.8-53.2-41.1000113.6L7 I10 I33 T36 T37 N41 N42 I45L7-Y39 HydrophobicContact CD1-CD1 3.83Å; L7-Y39 HydrophobicContact CD1-CE1 4.03Å; I10-Y39 HydrophobicContact CD1-CE1 3.49Å; I10-Y39 VanDerWaalsContact CD1-CE1 3.49Å; I10-Y39 HydrophobicContact CD1-CE2 4.44Å; I10-Y39 VanDerWaalsContact CD1-CZ 3.45Å; I10-Y39 WeakPolarHBondContact CD1-OH 3.23Å; I33-Y39 HydrophobicContact CB-CD2 4.44Å; I33-Y39 HydrophobicContact CB-CE2 3.93Å; I33-Y39 HydrophobicContact CD1-CD2 4.42Å; I33-Y39 HydrophobicContact CD1-CE2 4.5Å; I33-Y39 HydrophobicContact CG1-CD2 4.5Å; I33-Y39 HydrophobicContact CG1-CE2 4.45Å; I33-Y39 WeakPolarHBondContact O-CD2 3.47Å; I33-Y39 WeakPolarHBondContact O-CE2 3.39Å; T36-Y39 HydrophobicContact CG2-CE2 4.3Å; T36-Y39 WeakPolarHBondContact O-CD2 3.35Å; T36-Y39 PolarHBondContact O-N 3.21Å; T36-Y39 WeakPolarHBondContact OG1-CE2 2.94Å; T37-Y39 PolarHBondContact O-N 2.82Å; Y39-N41 PolarHBondContact O-N 3.46Å; Y39-N42 PolarHBondContact O-N 3.49Å; Y39-I45 HydrophobicContact CD1-CD1 3.57Å; Y39-I45 HydrophobicContact CE1-CD1 4.48Å; Y39-I45 HydrophobicContact CG-CD1 3.93Å
40H77.1Confident83.9Confident85 Ų8557.6 Ų57.639%0.39431%0.309SS..G310 helixtrans-70.3-19.7-179.5-62.4140.9000113.7T37 M38 V46 R49 F69T37-H40 WeakPolarHBondContact O-CB 3.48Å; T37-H40 PolarHBondContact O-N 2.9Å; T37-H40 VanDerWaalsContact O-N 3.14Å; T37-H40 PolarHBondContact O-ND1 3.09Å; M38-H40 VanDerWaalsContact C-N 3.31Å; M38-H40 PolarHBondContact O-N 3.45Å; H40-V46 WeakPolarHBondContact O-CG2 3.36Å; H40-R49 PolarHBondContact NE2-NH1 3.01Å; H40-F69 WeakPolarHBondContact O-CE2 3.47Å
41N84.4Confident84.2Confident141 Ų14158 Ų5875%0.75431%0.311SS*.G310 helixtrans-94.6-4178-66.9-12.8000112.5Y39Y39-N41 PolarHBondContact O-N 3.46Å
42N90.4Very high84.5Confident17 Ų1754.7 Ų54.79%0.09129%0.287CS..  trans-91.4116.5-175.6-168.5-77.3000111.7E11 Y39 V44 I45 V46E11-N42 WeakPolarHBondContact CG-ND2 3.29Å; E11-N42 PolarHBondContact OE1-ND2 3.21Å; Y39-N42 PolarHBondContact O-N 3.49Å; N42-V44 PolarHBondContact O-N 3Å; N42-V44 WeakPolarHBondContact OD1-CB 3.5Å; N42-V44 PolarHBondContact OD1-N 3.43Å; N42-V44 VanDerWaalsContact OD1-N 3.1Å; N42-I45 HydrophobicContact CB-CB 4.09Å; N42-I45 HydrophobicContact CB-CD1 3.85Å; N42-I45 HydrophobicContact CB-CG1 4.04Å; N42-I45 PolarHBondContact O-N 3.29Å; N42-I45 PolarHBondContact OD1-N 3.01Å; N42-I45 VanDerWaalsContact OD1-N 3.13Å; N42-V46 WeakPolarHBondContact O-CB 3.4Å; N42-V46 WeakPolarHBondContact O-CG2 3.45Å; N42-V46 PolarHBondContact O-N 3.34Å
43E93.3Very high85.1Confident45 Ų4549.2 Ų49.221%0.2126%0.264CS..Hα-helixtrans-61.9-39.6-175.5-176.7166174.600113.6V46 K47 F69 F71 S72 N75E43-V46 PolarHBondContact O-N 3.2Å; E43-K47 WeakPolarHBondContact O-CB 3.44Å; E43-K47 PolarHBondContact O-N 2.74Å; E43-F69 VanDerWaalsContact CA-CZ 3.49Å; E43-F69 HydrophobicContact CB-CE1 3.77Å; E43-F69 HydrophobicContact CB-CZ 3.84Å; E43-F69 HydrophobicContact CG-CE1 3.84Å; E43-F69 HydrophobicContact CG-CZ 4.42Å; E43-F71 HydrophobicContact CG-CD1 3.84Å; E43-F71 HydrophobicContact CG-CE1 4.38Å; E43-S72 VanDerWaalsContact CD-N 3.28Å; E43-S72 VanDerWaalsContact CD-OG 3.31Å; E43-S72 WeakPolarHBondContact OE1-CB 3.3Å; E43-S72 PolarHBondContact OE1-N 2.85Å; E43-S72 PolarHBondContact OE1-OG 3.47Å; E43-S72 VanDerWaalsContact OE2-CB 3.26Å; E43-S72 WeakPolarHBondContact OE2-CB 3.19Å; E43-S72 PolarHBondContact OE2-N 3.47Å; E43-S72 VanDerWaalsContact OE2-N 3.14Å; E43-S72 PolarHBondContact OE2-OG 2.93Å; E43-N75 WeakPolarHBondContact OE1-CB 3.48Å; E43-N75 PolarHBondContact OE1-ND2 3.41Å
44V93.3Very high85.8Confident28 Ų2851 Ų5117%0.1727%0.272CS..Hα-helixtrans-63.6-47.8178.8177.20000110.1C14 Q15 N42 K47 C48C14-V44 HydrophobicContact CB-CG1 4.01Å; Q15-V44 HydrophobicContact CB-CG1 4.07Å; N42-V44 PolarHBondContact O-N 3Å; N42-V44 WeakPolarHBondContact OD1-CB 3.5Å; N42-V44 PolarHBondContact OD1-N 3.43Å; N42-V44 VanDerWaalsContact OD1-N 3.1Å; V44-K47 PolarHBondContact O-N 2.91Å; V44-C48 WeakPolarHBondContact O-CB 3.13Å; V44-C48 PolarHBondContact O-N 3.23Å; V44-C48 PolarHBondContact O-SG 3.4Å
45I92.3Very high87Confident9 Ų950.9 Ų50.95%0.04627%0.268CS..Hα-helixtrans-67.6-42.6-179.3-57.5172.5000110.7L7 I10 L30 Y39 N42 K47 C48 R49L7-I45 HydrophobicContact CD1-CD1 4.07Å; I10-I45 HydrophobicContact CG2-CD1 3.64Å; I10-I45 HydrophobicContact CG2-CG1 4.2Å; L30-I45 HydrophobicContact CD2-CG2 3.97Å; Y39-I45 HydrophobicContact CD1-CD1 3.57Å; Y39-I45 HydrophobicContact CE1-CD1 4.48Å; Y39-I45 HydrophobicContact CG-CD1 3.93Å; N42-I45 HydrophobicContact CB-CB 4.09Å; N42-I45 HydrophobicContact CB-CD1 3.85Å; N42-I45 HydrophobicContact CB-CG1 4.04Å; N42-I45 PolarHBondContact O-N 3.29Å; N42-I45 PolarHBondContact OD1-N 3.01Å; N42-I45 VanDerWaalsContact OD1-N 3.13Å; I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 3.29Å; I45-C48 WeakPolarHBondContact O-CB 3.3Å; I45-C48 PolarHBondContact O-N 2.8Å; I45-R49 WeakPolarHBondContact O-CB 3.04Å; I45-R49 PolarHBondContact O-N 2.98Å
46V93.8Very high88.4Confident10 Ų1047.3 Ų47.36%0.06124%0.244CC..Hα-helixtrans-64.9-39.1178.3174.50000111.2H40 N42 E43 R49 A50 I65 F69 F71H40-V46 WeakPolarHBondContact O-CG2 3.36Å; N42-V46 WeakPolarHBondContact O-CB 3.4Å; N42-V46 WeakPolarHBondContact O-CG2 3.45Å; N42-V46 PolarHBondContact O-N 3.34Å; E43-V46 PolarHBondContact O-N 3.2Å; V46-R49 PolarHBondContact O-N 3.45Å; V46-A50 WeakPolarHBondContact O-CB 3.41Å; V46-A50 PolarHBondContact O-N 2.86Å; V46-I65 HydrophobicContact CG1-CG2 3.38Å; V46-F69 HydrophobicContact CB-CD2 4.15Å; V46-F69 HydrophobicContact CB-CE2 4.18Å; V46-F69 HydrophobicContact CB-CG 4.32Å; V46-F69 HydrophobicContact CB-CZ 4.4Å; V46-F69 HydrophobicContact CG1-CB 4.01Å; V46-F69 HydrophobicContact CG1-CD1 4.08Å; V46-F69 HydrophobicContact CG1-CD2 3.86Å; V46-F69 HydrophobicContact CG1-CE2 4.38Å; V46-F69 HydrophobicContact CG1-CG 3.69Å; V46-F69 HydrophobicContact CG2-CD2 3.84Å; V46-F69 HydrophobicContact CG2-CE2 3.77Å; V46-F69 HydrophobicContact CG2-CG 4.49Å; V46-F69 HydrophobicContact CG2-CZ 4.38Å; V46-F71 HydrophobicContact CG1-CE1 4.34Å; V46-F71 HydrophobicContact CG1-CZ 3.85Å
47K94.8Very high89.8Confident9 Ų951.4 Ų51.44%0.03926%0.258CS..Hα-helixtrans-59.8-48.6171.6177.7165.776.1167.40111.8Y18 E43 V44 I45 R49 A50 L51 F71 N75 E78 M79Y18-K47 HydrophobicContact CE1-CD 4.36Å; Y18-K47 HydrophobicContact CE2-CD 4.32Å; Y18-K47 HydrophobicContact CE2-CG 3.86Å; E43-K47 WeakPolarHBondContact O-CB 3.44Å; E43-K47 PolarHBondContact O-N 2.74Å; V44-K47 PolarHBondContact O-N 2.91Å; I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 3.29Å; K47-R49 VanDerWaalsContact C-N 3.31Å; K47-R49 PolarHBondContact O-N 3.28Å; K47-A50 WeakPolarHBondContact O-CB 3.44Å; K47-A50 PolarHBondContact O-N 3.19Å; K47-L51 PolarHBondContact O-N 3.41Å; K47-F71 HydrophobicContact CB-CE1 4.17Å; K47-N75 PolarHBondContact NZ-OD1 2.76Å; K47-E78 VanDerWaalsContact CD-OE2 3.31Å; K47-E78 WeakPolarHBondContact CD-OE2 3.46Å; K47-E78 IonicContact NZ-OE2 2.8Å; K47-E78 PolarHBondContact NZ-OE2 3.24Å; K47-M79 HydrophobicContact CD-CE 3.77Å; K47-M79 HydrophobicContact CG-CE 3.64Å; K47-M79 HydrophobicContact CG-SD 4.25Å
48C95Very high91.2Very high0 Ų050.4 Ų50.40%025%0.245CC..Hα-helixtrans-59.2-42.9176.4-70.50000111.9L26 L30 V44 I45 L51 V52L26-C48 HydrophobicContact CD1-CB 3.93Å; L26-C48 HydrophobicContact CD2-CB 3.88Å; L26-C48 HydrophobicContact CG-CB 4.27Å; L30-C48 HydrophobicContact CD1-CB 4.1Å; V44-C48 WeakPolarHBondContact O-CB 3.13Å; V44-C48 PolarHBondContact O-N 3.23Å; V44-C48 PolarHBondContact O-SG 3.4Å; I45-C48 WeakPolarHBondContact O-CB 3.3Å; I45-C48 PolarHBondContact O-N 2.8Å; C48-L51 PolarHBondContact O-N 2.84Å; C48-V52 WeakPolarHBondContact O-CG2 3.28Å; C48-V52 PolarHBondContact O-N 2.9Å
49R93.7Very high92.5Very high87 Ų8744.4 Ų44.433%0.32822%0.215SC..Hα-helixtrans-62.9-42.5175.7-176.1175.6178164.5-1.3111.7L30 H40 I45 V46 K47 L51 V52 L53 I65L30-R49 HydrophobicContact CD1-CB 4.38Å; H40-R49 PolarHBondContact NE2-NH1 3.01Å; I45-R49 WeakPolarHBondContact O-CB 3.04Å; I45-R49 PolarHBondContact O-N 2.98Å; V46-R49 PolarHBondContact O-N 3.45Å; K47-R49 VanDerWaalsContact C-N 3.31Å; K47-R49 PolarHBondContact O-N 3.28Å; R49-L51 VanDerWaalsContact C-N 3.32Å; R49-L51 PolarHBondContact O-N 3.34Å; R49-V52 PolarHBondContact O-N 3.09Å; R49-L53 HydrophobicContact CG-CD1 4.14Å; R49-L53 HydrophobicContact CG-CG 4.47Å; R49-L53 VanDerWaalsContact O-CG 3.29Å; R49-L53 WeakPolarHBondContact O-CG 3.47Å; R49-L53 PolarHBondContact O-N 3.1Å; R49-I65 HydrophobicContact CB-CD1 4.36Å; R49-I65 HydrophobicContact CG-CD1 3.78Å
50A95.9Very high93.6Very high0 Ų047.9 Ų47.90%024%0.24CC..Hα-helixtrans-59.2-43.7175.400000111.3V46 K47 L53 F54 L62 I65 L82V46-A50 WeakPolarHBondContact O-CB 3.41Å; V46-A50 PolarHBondContact O-N 2.86Å; K47-A50 WeakPolarHBondContact O-CB 3.44Å; K47-A50 PolarHBondContact O-N 3.19Å; A50-L53 PolarHBondContact O-N 3.01Å; A50-F54 PolarHBondContact O-N 3.42Å; A50-L62 HydrophobicContact CB-CD1 3.74Å; A50-L62 WeakPolarHBondContact O-CD1 3.11Å; A50-I65 HydrophobicContact CB-CG2 4.36Å; A50-L82 HydrophobicContact CB-CD2 3.78Å
51L95.8Very high94.5Very high28 Ų2847.2 Ų47.215%0.14724%0.237CC..Hα-helixtrans-61.4-45.9175.4179.162.6000112.3Y18 I23 K47 C48 R49 L53 F54 V55Y18-L51 HydrophobicContact CD2-CD2 3.7Å; Y18-L51 HydrophobicContact CE2-CB 3.94Å; Y18-L51 HydrophobicContact CE2-CD2 3.43Å; Y18-L51 VanDerWaalsContact CE2-CD2 3.43Å; Y18-L51 HydrophobicContact CE2-CG 4.28Å; I23-L51 HydrophobicContact CD1-CD1 4.17Å; I23-L51 HydrophobicContact CD1-CD2 3.94Å; I23-L51 HydrophobicContact CD1-CG 4.07Å; I23-L51 HydrophobicContact CG1-CD2 4.26Å; K47-L51 PolarHBondContact O-N 3.41Å; C48-L51 PolarHBondContact O-N 2.84Å; R49-L51 VanDerWaalsContact C-N 3.32Å; R49-L51 PolarHBondContact O-N 3.34Å; L51-L53 PolarHBondContact O-N 2.84Å; L51-F54 WeakPolarHBondContact O-CB 3.45Å; L51-F54 PolarHBondContact O-N 3.14Å; L51-V55 PolarHBondContact O-N 3.13Å
52V94.9Very high95.1Very high14 Ų1440.5 Ų40.59%0.08520%0.201CC..Hα-helixtrans-62.6-42.4178.5170.30000111.7I23 L26 K27 L30 C48 R49 F54 V55 N56I23-V52 HydrophobicContact CG2-CG2 4.47Å; L26-V52 HydrophobicContact CD2-CG2 4.25Å; L26-V52 HydrophobicContact CG-CG2 4.22Å; K27-V52 HydrophobicContact CB-CG1 4.12Å; K27-V52 HydrophobicContact CB-CG2 4.22Å; K27-V52 HydrophobicContact CD-CG1 4.3Å; K27-V52 HydrophobicContact CG-CG1 3.95Å; L30-V52 HydrophobicContact CD1-CB 4.47Å; L30-V52 HydrophobicContact CD1-CG2 3.93Å; C48-V52 WeakPolarHBondContact O-CG2 3.28Å; C48-V52 PolarHBondContact O-N 2.9Å; R49-V52 PolarHBondContact O-N 3.09Å; V52-F54 VanDerWaalsContact C-N 3.31Å; V52-F54 PolarHBondContact O-N 2.96Å; V52-V55 PolarHBondContact O-N 2.56Å; V52-N56 PolarHBondContact O-N 3.3Å
53L96Very high95.5Very high13 Ų1340.5 Ų40.57%0.06820%0.2CC..Hα-helixtrans-61.6-39.5175.5-70.7168.6000111.8R49 A50 L51 N56 K57 E58 E61 L62 I65R49-L53 HydrophobicContact CG-CD1 4.14Å; R49-L53 HydrophobicContact CG-CG 4.47Å; R49-L53 VanDerWaalsContact O-CG 3.29Å; R49-L53 WeakPolarHBondContact O-CG 3.47Å; R49-L53 PolarHBondContact O-N 3.1Å; A50-L53 PolarHBondContact O-N 3.01Å; L51-L53 PolarHBondContact O-N 2.84Å; L53-N56 PolarHBondContact O-N 2.82Å; L53-K57 PolarHBondContact O-N 2.87Å; L53-E58 HydrophobicContact CB-CB 4.33Å; L53-E58 HydrophobicContact CD2-CB 3.77Å; L53-E58 HydrophobicContact CD2-CG 4.43Å; L53-E58 VanDerWaalsContact CD2-OE2 3.26Å; L53-E58 WeakPolarHBondContact CD2-OE2 3.15Å; L53-E58 PolarHBondContact O-N 2.88Å; L53-E61 HydrophobicContact CD1-CB 4.03Å; L53-E61 HydrophobicContact CD2-CB 3.97Å; L53-L62 HydrophobicContact CB-CB 4.05Å; L53-I65 HydrophobicContact CD1-CD1 3.47Å; L53-I65 VanDerWaalsContact CD1-CD1 3.47Å; L53-I65 HydrophobicContact CD1-CG1 4.35Å
54F97Very high95.6Very high47 Ų4743.9 Ų43.921%0.20622%0.215CC..Hα-helixtrans-61.5-47.4175.1173.1-108.9000112A50 L51 V52 N56 K57 F59 L62 L82 Q85 A86A50-F54 PolarHBondContact O-N 3.42Å; L51-F54 WeakPolarHBondContact O-CB 3.45Å; L51-F54 PolarHBondContact O-N 3.14Å; V52-F54 VanDerWaalsContact C-N 3.31Å; V52-F54 PolarHBondContact O-N 2.96Å; F54-N56 VanDerWaalsContact C-N 3.34Å; F54-N56 PolarHBondContact O-N 3.3Å; F54-K57 WeakPolarHBondContact O-CA 3.22Å; F54-K57 PolarHBondContact O-N 3.49Å; F54-F59 HydrophobicContact CD2-CE1 4.16Å; F54-F59 HydrophobicContact CE2-CE1 4.37Å; F54-L62 HydrophobicContact CB-CD2 3.79Å; F54-L62 HydrophobicContact CD2-CD2 4.12Å; F54-L62 HydrophobicContact CG-CD2 4.44Å; F54-L82 HydrophobicContact CB-CD1 3.64Å; F54-L82 HydrophobicContact CB-CG 4.48Å; F54-L82 HydrophobicContact CD1-CD1 3.76Å; F54-L82 HydrophobicContact CD2-CD1 4.04Å; F54-L82 HydrophobicContact CE1-CD1 4.44Å; F54-L82 HydrophobicContact CG-CD1 3.52Å; F54-Q85 HydrophobicContact CE2-CB 3.9Å; F54-Q85 HydrophobicContact CZ-CB 3.84Å; F54-A86 HydrophobicContact CD2-CB 3.97Å; F54-A86 HydrophobicContact CE2-CB 4.26Å
55V95.4Very high95.7Very high68 Ų6843.8 Ų43.841%0.41221%0.213SC..Hα-helixtrans-64.7-38.4179.81710000111.9I23 L51 V52 K57I23-V55 HydrophobicContact CD1-CG2 3.74Å; I23-V55 HydrophobicContact CG2-CB 4.31Å; I23-V55 HydrophobicContact CG2-CG1 4.27Å; I23-V55 HydrophobicContact CG2-CG2 4.09Å; L51-V55 PolarHBondContact O-N 3.13Å; V52-V55 PolarHBondContact O-N 2.56Å; V55-K57 PolarHBondContact O-N 3.33Å
56N95.1Very high95.9Very high54 Ų5443.3 Ų43.329%0.28921%0.211SC..THydrogen-bonded Turntrans-72.7-2.3173.6-67.4-11.7000113.6K27 V52 L53 F54 E58K27-N56 PolarHBondContact NZ-OD1 3.42Å; V52-N56 PolarHBondContact O-N 3.3Å; L53-N56 PolarHBondContact O-N 2.82Å; F54-N56 VanDerWaalsContact C-N 3.34Å; F54-N56 PolarHBondContact O-N 3.3Å; N56-E58 HydrophobicContact CB-CG 3.86Å; N56-E58 WeakPolarHBondContact CB-OE1 3.18Å; N56-E58 PolarHBondContact ND2-OE1 3.37Å; N56-E58 PolarHBondContact O-N 2.97Å
57K96.3Very high96Very high139 Ų13946.3 Ų46.360%0.60423%0.226SC*.THydrogen-bonded Turntrans60.326-174.1-54.9175.2179.4175.20113.5L53 F54 V55 F59 I93L53-K57 PolarHBondContact O-N 2.87Å; F54-K57 WeakPolarHBondContact O-CA 3.22Å; F54-K57 PolarHBondContact O-N 3.49Å; V55-K57 PolarHBondContact O-N 3.33Å; K57-F59 HydrophobicContact CB-CE2 3.89Å; K57-F59 HydrophobicContact CB-CZ 3.85Å; K57-F59 HydrophobicContact CG-CZ 4.13Å; K57-F59 WeakPolarHBondContact O-CD2 3.24Å; K57-F59 PolarHBondContact O-N 3.18Å; K57-I93 HydrophobicContact CD-CD1 4.02Å
58E96.3Very high96Very high86 Ų8651.2 Ų51.240%0.40225%0.253SS..  trans-83.462.1177-67.6177.1-125.700110.7L53 N56 T60 E61 L62L53-E58 HydrophobicContact CB-CB 4.33Å; L53-E58 HydrophobicContact CD2-CB 3.77Å; L53-E58 HydrophobicContact CD2-CG 4.43Å; L53-E58 VanDerWaalsContact CD2-OE2 3.26Å; L53-E58 WeakPolarHBondContact CD2-OE2 3.15Å; L53-E58 PolarHBondContact O-N 2.88Å; N56-E58 HydrophobicContact CB-CG 3.86Å; N56-E58 WeakPolarHBondContact CB-OE1 3.18Å; N56-E58 PolarHBondContact ND2-OE1 3.37Å; N56-E58 PolarHBondContact O-N 2.97Å; E58-T60 VanDerWaalsContact C-N 3.29Å; E58-T60 PolarHBondContact O-N 3.14Å; E58-E61 PolarHBondContact O-N 2.79Å; E58-L62 WeakPolarHBondContact O-CB 3.47Å; E58-L62 PolarHBondContact O-N 2.69Å; E58-L62 VanDerWaalsContact O-N 3.09Å
59F97.7Very high96Very high18 Ų1852.6 Ų52.68%0.07926%0.259CS..Hα-helixtrans-63.2-31.6-170.2-56-58.8000113.9F54 K57 L62 F63 A86 A89 Q90 I93F54-F59 HydrophobicContact CD2-CE1 4.16Å; F54-F59 HydrophobicContact CE2-CE1 4.37Å; K57-F59 HydrophobicContact CB-CE2 3.89Å; K57-F59 HydrophobicContact CB-CZ 3.85Å; K57-F59 HydrophobicContact CG-CZ 4.13Å; K57-F59 WeakPolarHBondContact O-CD2 3.24Å; K57-F59 PolarHBondContact O-N 3.18Å; F59-L62 HydrophobicContact CD1-CD2 4.47Å; F59-L62 PolarHBondContact O-N 2.66Å; F59-F63 HydrophobicContact CB-CD2 4.25Å; F59-F63 HydrophobicContact CB-CE2 3.73Å; F59-F63 HydrophobicContact CB-CZ 4.28Å; F59-F63 WeakPolarHBondContact O-CB 3.3Å; F59-F63 WeakPolarHBondContact O-CD2 3.46Å; F59-F63 VanDerWaalsContact O-CG 3.23Å; F59-F63 WeakPolarHBondContact O-CG 3.26Å; F59-F63 PolarHBondContact O-N 3.01Å; F59-A86 HydrophobicContact CD1-CB 3.86Å; F59-A86 HydrophobicContact CE1-CB 4.24Å; F59-A89 HydrophobicContact CE1-CB 3.92Å; F59-A89 HydrophobicContact CZ-CB 3.6Å; F59-Q90 HydrophobicContact CD2-CB 3.98Å; F59-Q90 HydrophobicContact CD2-CG 4.32Å; F59-Q90 HydrophobicContact CE2-CB 4.25Å; F59-Q90 HydrophobicContact CG-CB 4.35Å; F59-I93 HydrophobicContact CE2-CD1 3.77Å; F59-I93 HydrophobicContact CZ-CD1 4.06Å
60T97.1Very high96Very high108 Ų10853.1 Ų53.166%0.66327%0.273SS*.Hα-helixtrans-61.2-52.6-179.9-55.90000111.4E58 F63 K64E58-T60 VanDerWaalsContact C-N 3.29Å; E58-T60 PolarHBondContact O-N 3.14Å; T60-F63 PolarHBondContact O-N 2.81Å; T60-K64 PolarHBondContact O-N 2.95Å; T60-K64 VanDerWaalsContact O-N 3.07Å
61E95.6Very high95.9Very high71 Ų7153.5 Ų53.533%0.33228%0.275SS..Hα-helixtrans-69.9-35.6178.6-69.9-55.2120.400111.6L53 E58 F63 K64 I65L53-E61 HydrophobicContact CD1-CB 4.03Å; L53-E61 HydrophobicContact CD2-CB 3.97Å; E58-E61 PolarHBondContact O-N 2.79Å; E61-F63 PolarHBondContact O-N 3.42Å; E61-K64 WeakPolarHBondContact O-CB 3.49Å; E61-K64 PolarHBondContact O-N 3.06Å; E61-K64 IonicContact OE2-NZ 3.87Å; E61-I65 PolarHBondContact O-N 3.25Å
62L97.5Very high95.8Very high0 Ų054.3 Ų54.30%028%0.283CS..Hα-helixtrans-57.1-51.3173172.958.8000111.7A50 L53 F54 E58 F59 K64 I65 L66 L82 A86A50-L62 HydrophobicContact CB-CD1 3.74Å; A50-L62 WeakPolarHBondContact O-CD1 3.11Å; L53-L62 HydrophobicContact CB-CB 4.05Å; F54-L62 HydrophobicContact CB-CD2 3.79Å; F54-L62 HydrophobicContact CD2-CD2 4.12Å; F54-L62 HydrophobicContact CG-CD2 4.44Å; E58-L62 WeakPolarHBondContact O-CB 3.47Å; E58-L62 PolarHBondContact O-N 2.69Å; E58-L62 VanDerWaalsContact O-N 3.09Å; F59-L62 HydrophobicContact CD1-CD2 4.47Å; F59-L62 PolarHBondContact O-N 2.66Å; L62-K64 VanDerWaalsContact C-N 3.26Å; L62-K64 PolarHBondContact O-N 3.24Å; L62-I65 PolarHBondContact O-N 3.35Å; L62-L66 HydrophobicContact CD1-CD1 3.85Å; L62-L66 HydrophobicContact CD1-CG 4.04Å; L62-L66 HydrophobicContact CG-CD1 4.06Å; L62-L66 WeakPolarHBondContact O-CG 3.4Å; L62-L66 PolarHBondContact O-N 3.41Å; L62-L82 HydrophobicContact CD1-CD2 3.89Å; L62-L82 HydrophobicContact CD1-CG 4.34Å; L62-A86 HydrophobicContact CD2-CB 3.48Å; L62-A86 VanDerWaalsContact CD2-CB 3.48Å
63F98.1Very high95.6Very high16 Ų1659.2 Ų59.27%0.0731%0.313CS..Hα-helixtrans-64.2-34.4178.7-64.4-43.6000111.3F59 T60 E61 L66 N67 W83 A86 K87F59-F63 HydrophobicContact CB-CD2 4.25Å; F59-F63 HydrophobicContact CB-CE2 3.73Å; F59-F63 HydrophobicContact CB-CZ 4.28Å; F59-F63 WeakPolarHBondContact O-CB 3.3Å; F59-F63 WeakPolarHBondContact O-CD2 3.46Å; F59-F63 VanDerWaalsContact O-CG 3.23Å; F59-F63 WeakPolarHBondContact O-CG 3.26Å; F59-F63 PolarHBondContact O-N 3.01Å; T60-F63 PolarHBondContact O-N 2.81Å; E61-F63 PolarHBondContact O-N 3.42Å; F63-L66 PolarHBondContact O-N 3.48Å; F63-N67 VanDerWaalsContact O-CB 3.3Å; F63-N67 WeakPolarHBondContact O-CB 3.36Å; F63-N67 VanDerWaalsContact O-CG 3.3Å; F63-N67 PolarHBondContact O-N 3.5Å; F63-N67 PolarHBondContact O-ND2 3.39Å; F63-W83 HydrophobicContact CB-CZ3 4.18Å; F63-W83 HydrophobicContact CD1-CD2 4.29Å; F63-W83 AromaticContact CD1-CE3 3.57Å; F63-W83 HydrophobicContact CD1-CE3 3.57Å; F63-W83 HydrophobicContact CD1-CH2 4.18Å; F63-W83 AromaticContact CD1-CZ3 3.5Å; F63-W83 HydrophobicContact CD1-CZ3 3.5Å; F63-W83 HydrophobicContact CE1-CD2 4.36Å; F63-W83 HydrophobicContact CE1-CE3 4.06Å; F63-W83 HydrophobicContact CE1-CZ3 4.3Å; F63-W83 HydrophobicContact CG-CZ3 4.15Å; F63-A86 HydrophobicContact CE1-CB 3.68Å; F63-A86 HydrophobicContact CZ-CB 3.79Å; F63-K87 HydrophobicContact CE1-CD 3.9Å; F63-K87 HydrophobicContact CE1-CG 3.94Å; F63-K87 HydrophobicContact CE2-CD 4.09Å; F63-K87 HydrophobicContact CZ-CD 3.47Å; F63-K87 VanDerWaalsContact CZ-CD 3.47Å; F63-K87 VanDerWaalsContact CZ-CE 3.43Å; F63-K87 HydrophobicContact CZ-CG 3.86Å
64K96.4Very high95.4Very high117 Ų11768.3 Ų68.351%0.50935%0.348SS..Hα-helixtrans-61.8-43.2174.5-174.1-178.1175.8-174.40111.8T60 E61 L62 N68T60-K64 PolarHBondContact O-N 2.95Å; T60-K64 VanDerWaalsContact O-N 3.07Å; E61-K64 WeakPolarHBondContact O-CB 3.49Å; E61-K64 PolarHBondContact O-N 3.06Å; E61-K64 IonicContact OE2-NZ 3.87Å; L62-K64 VanDerWaalsContact C-N 3.26Å; L62-K64 PolarHBondContact O-N 3.24Å; K64-N68 WeakPolarHBondContact O-CB 3.26Å; K64-N68 PolarHBondContact O-N 2.93Å; K64-N68 PolarHBondContact O-ND2 3.04Å
65I95.2Very high95.3Very high25 Ų2566.8 Ų66.813%0.12834%0.342CS..Hα-helixtrans-61.9-52.9174.1-70.2-176.4000110.3V46 R49 A50 L53 E61 L62 N67 N68 F69 F71V46-I65 HydrophobicContact CG1-CG2 3.38Å; R49-I65 HydrophobicContact CB-CD1 4.36Å; R49-I65 HydrophobicContact CG-CD1 3.78Å; A50-I65 HydrophobicContact CB-CG2 4.36Å; L53-I65 HydrophobicContact CD1-CD1 3.47Å; L53-I65 VanDerWaalsContact CD1-CD1 3.47Å; L53-I65 HydrophobicContact CD1-CG1 4.35Å; E61-I65 PolarHBondContact O-N 3.25Å; L62-I65 PolarHBondContact O-N 3.35Å; I65-N67 PolarHBondContact O-N 2.88Å; I65-N68 PolarHBondContact O-N 3.42Å; I65-N68 VanDerWaalsContact O-N 3.11Å; I65-F69 HydrophobicContact CG2-CB 4.5Å; I65-F69 PolarHBondContact O-N 2.95Å; I65-F71 HydrophobicContact CG2-CE2 4.49Å; I65-F71 HydrophobicContact CG2-CZ 4.27Å
66L97.1Very high95.2Very high0 Ų064.6 Ų64.60%033%0.327CS..Hα-helixtrans-62.3-31-175.7-67.4177.8000112.8L62 F63 F71 M79 W83 P114 T116 I117L62-L66 HydrophobicContact CD1-CD1 3.85Å; L62-L66 HydrophobicContact CD1-CG 4.04Å; L62-L66 HydrophobicContact CG-CD1 4.06Å; L62-L66 WeakPolarHBondContact O-CG 3.4Å; L62-L66 PolarHBondContact O-N 3.41Å; F63-L66 PolarHBondContact O-N 3.48Å; L66-F71 HydrophobicContact CD2-CE2 3.97Å; L66-F71 HydrophobicContact CD2-CZ 4.3Å; L66-M79 HydrophobicContact CD2-CB 4.02Å; L66-M79 HydrophobicContact CD2-CG 4.3Å; L66-M79 HydrophobicContact CD2-SD 3.92Å; L66-W83 HydrophobicContact CB-CE3 4.04Å; L66-W83 HydrophobicContact CB-CZ3 4.39Å; L66-W83 HydrophobicContact CD1-CB 4.05Å; L66-W83 HydrophobicContact CD1-CE3 3.91Å; L66-P114 VanDerWaalsContact O-CG 3.24Å; L66-P114 WeakPolarHBondContact O-CG 3.26Å; L66-T116 WeakPolarHBondContact O-CB 3.44Å; L66-T116 PolarHBondContact O-OG1 2.84Å; L66-I117 HydrophobicContact CD2-CD1 4.47Å
67N95.9Very high95.2Very high72 Ų7267.6 Ų67.639%0.38534%0.343SS..Hα-helixtrans-78.3-23.6177.5-78.1-59.6000114.3F63 I65 P114 T116F63-N67 VanDerWaalsContact O-CB 3.3Å; F63-N67 WeakPolarHBondContact O-CB 3.36Å; F63-N67 VanDerWaalsContact O-CG 3.3Å; F63-N67 PolarHBondContact O-N 3.5Å; F63-N67 PolarHBondContact O-ND2 3.39Å; I65-N67 PolarHBondContact O-N 2.88Å; N67-P114 WeakPolarHBondContact OD1-CB 3.26Å; N67-P114 WeakPolarHBondContact OD1-CG 3.31Å; N67-T116 VanDerWaalsContact O-CG2 3.28Å; N67-T116 WeakPolarHBondContact O-CG2 3.3Å
68N94.4Very high95.1Very high113 Ų11364.3 Ų64.360%0.60433%0.33SS*.Hα-helixtrans-113.2-27.8-168.6-66.6-46.9000114K64 I65K64-N68 WeakPolarHBondContact O-CB 3.26Å; K64-N68 PolarHBondContact O-N 2.93Å; K64-N68 PolarHBondContact O-ND2 3.04Å; I65-N68 PolarHBondContact O-N 3.42Å; I65-N68 VanDerWaalsContact O-N 3.11Å
69F94.6Very high95.2Very high29 Ų2960.2 Ų60.213%0.12731%0.311CS..SBendtrans-87.8121.4-178.6-171.4-88.3000111.2H40 E43 V46 I65 F71 T116H40-F69 WeakPolarHBondContact O-CE2 3.47Å; E43-F69 VanDerWaalsContact CA-CZ 3.49Å; E43-F69 HydrophobicContact CB-CE1 3.77Å; E43-F69 HydrophobicContact CB-CZ 3.84Å; E43-F69 HydrophobicContact CG-CE1 3.84Å; E43-F69 HydrophobicContact CG-CZ 4.42Å; V46-F69 HydrophobicContact CB-CD2 4.15Å; V46-F69 HydrophobicContact CB-CE2 4.18Å; V46-F69 HydrophobicContact CB-CG 4.32Å; V46-F69 HydrophobicContact CB-CZ 4.4Å; V46-F69 HydrophobicContact CG1-CB 4.01Å; V46-F69 HydrophobicContact CG1-CD1 4.08Å; V46-F69 HydrophobicContact CG1-CD2 3.86Å; V46-F69 HydrophobicContact CG1-CE2 4.38Å; V46-F69 HydrophobicContact CG1-CG 3.69Å; V46-F69 HydrophobicContact CG2-CD2 3.84Å; V46-F69 HydrophobicContact CG2-CE2 3.77Å; V46-F69 HydrophobicContact CG2-CG 4.49Å; V46-F69 HydrophobicContact CG2-CZ 4.38Å; I65-F69 HydrophobicContact CG2-CB 4.5Å; I65-F69 PolarHBondContact O-N 2.95Å; F69-F71 HydrophobicContact CB-CD2 4.32Å; F69-F71 HydrophobicContact CB-CE2 3.87Å; F69-F71 HydrophobicContact CB-CZ 4.37Å; F69-F71 AromaticContact CD1-CD1 3.86Å; F69-F71 HydrophobicContact CD1-CD1 3.86Å; F69-F71 AromaticContact CD1-CD2 3.68Å; F69-F71 HydrophobicContact CD1-CD2 3.68Å; F69-F71 AromaticContact CD1-CE1 3.88Å; F69-F71 HydrophobicContact CD1-CE1 3.88Å; F69-F71 AromaticContact CD1-CE2 3.7Å; F69-F71 HydrophobicContact CD1-CE2 3.7Å; F69-F71 AromaticContact CD1-CG 3.77Å; F69-F71 HydrophobicContact CD1-CG 3.77Å; F69-F71 AromaticContact CD1-CZ 3.81Å; F69-F71 HydrophobicContact CD1-CZ 3.81Å; F69-F71 HydrophobicContact CE1-CD1 4.08Å; F69-F71 HydrophobicContact CE1-CE1 4.26Å; F69-F71 HydrophobicContact CE1-CG 4.26Å; F69-F71 HydrophobicContact CG-CD2 4.48Å; F69-F71 HydrophobicContact CG-CE2 4.2Å; F69-F71 HydrophobicContact CG-CZ 4.38Å; F69-F71 WeakPolarHBondContact O-CD2 3.31Å; F69-F71 PolarHBondContact O-N 3.3Å; F69-T116 WeakPolarHBondContact O-CB 3.43Å; F69-T116 WeakPolarHBondContact O-CG2 3.48Å
70P93.4Very high95.1Very high97 Ų9761 Ų6163%0.6332%0.315SS*.  trans-78.586.4-179.932.8-34.2000110.7
71F94.9Very high95.1Very high9 Ų960.6 Ų60.64%0.03931%0.308CS..  trans-64.6147.9177.2-69.6-91.2000111.2E43 V46 K47 I65 L66 F69 N75 H76 M79 T116 I117E43-F71 HydrophobicContact CG-CD1 3.84Å; E43-F71 HydrophobicContact CG-CE1 4.38Å; V46-F71 HydrophobicContact CG1-CE1 4.34Å; V46-F71 HydrophobicContact CG1-CZ 3.85Å; K47-F71 HydrophobicContact CB-CE1 4.17Å; I65-F71 HydrophobicContact CG2-CE2 4.49Å; I65-F71 HydrophobicContact CG2-CZ 4.27Å; L66-F71 HydrophobicContact CD2-CE2 3.97Å; L66-F71 HydrophobicContact CD2-CZ 4.3Å; F69-F71 HydrophobicContact CB-CD2 4.32Å; F69-F71 HydrophobicContact CB-CE2 3.87Å; F69-F71 HydrophobicContact CB-CZ 4.37Å; F69-F71 AromaticContact CD1-CD1 3.86Å; F69-F71 HydrophobicContact CD1-CD1 3.86Å; F69-F71 AromaticContact CD1-CD2 3.68Å; F69-F71 HydrophobicContact CD1-CD2 3.68Å; F69-F71 AromaticContact CD1-CE1 3.88Å; F69-F71 HydrophobicContact CD1-CE1 3.88Å; F69-F71 AromaticContact CD1-CE2 3.7Å; F69-F71 HydrophobicContact CD1-CE2 3.7Å; F69-F71 AromaticContact CD1-CG 3.77Å; F69-F71 HydrophobicContact CD1-CG 3.77Å; F69-F71 AromaticContact CD1-CZ 3.81Å; F69-F71 HydrophobicContact CD1-CZ 3.81Å; F69-F71 HydrophobicContact CE1-CD1 4.08Å; F69-F71 HydrophobicContact CE1-CE1 4.26Å; F69-F71 HydrophobicContact CE1-CG 4.26Å; F69-F71 HydrophobicContact CG-CD2 4.48Å; F69-F71 HydrophobicContact CG-CE2 4.2Å; F69-F71 HydrophobicContact CG-CZ 4.38Å; F69-F71 WeakPolarHBondContact O-CD2 3.31Å; F69-F71 PolarHBondContact O-N 3.3Å; F71-N75 HydrophobicContact CD1-CB 4.4Å; F71-H76 PolarHBondContact O-CD2 3.46Å; F71-H76 PolarHBondContact O-NE2 2.96Å; F71-M79 HydrophobicContact CD1-CG 3.71Å; F71-M79 HydrophobicContact CD1-SD 4.19Å; F71-M79 HydrophobicContact CD2-CG 4.11Å; F71-M79 HydrophobicContact CE1-CG 3.82Å; F71-M79 HydrophobicContact CE1-SD 3.67Å; F71-M79 HydrophobicContact CE2-CG 4.21Å; F71-M79 HydrophobicContact CE2-SD 4.37Å; F71-M79 HydrophobicContact CG-CG 3.86Å; F71-M79 HydrophobicContact CZ-CG 4.06Å; F71-M79 HydrophobicContact CZ-SD 3.76Å; F71-T116 PolarHBondContact N-O 3.13Å; F71-I117 HydrophobicContact CB-CG2 4.14Å; F71-I117 HydrophobicContact CD2-CG2 3.39Å; F71-I117 HydrophobicContact CE2-CG2 4.12Å; F71-I117 HydrophobicContact CG-CG2 4.05Å
72S92.9Very high95.2Very high45 Ų4557.7 Ų57.732%0.31530%0.295SS..  trans-63.7151.3169.4690000111.3E43 Y74 N75 H76E43-S72 VanDerWaalsContact CD-N 3.28Å; E43-S72 VanDerWaalsContact CD-OG 3.31Å; E43-S72 WeakPolarHBondContact OE1-CB 3.3Å; E43-S72 PolarHBondContact OE1-N 2.85Å; E43-S72 PolarHBondContact OE1-OG 3.47Å; E43-S72 VanDerWaalsContact OE2-CB 3.26Å; E43-S72 WeakPolarHBondContact OE2-CB 3.19Å; E43-S72 PolarHBondContact OE2-N 3.47Å; E43-S72 VanDerWaalsContact OE2-N 3.14Å; E43-S72 PolarHBondContact OE2-OG 2.93Å; S72-Y74 PolarHBondContact O-N 3.4Å; S72-Y74 VanDerWaalsContact O-N 3.08Å; S72-N75 PolarHBondContact O-N 3.39Å; S72-N75 PolarHBondContact OG-ND2 2.92Å; S72-H76 VanDerWaalsContact C-CD2 3.49Å; S72-H76 PolarHBondContact O-CD2 2.94Å; S72-H76 PolarHBondContact O-N 3.02Å
73V91.2Very high95.2Very high117 Ų11758.4 Ų58.471%0.70930%0.298SS*.Hα-helixtrans-55.4-30.3178.6-178.20000112N75 H76V73-N75 VanDerWaalsContact C-N 3.32Å; V73-N75 PolarHBondContact O-N 3.33Å; V73-H76 WeakPolarHBondContact O-CB 3.4Å; V73-H76 PolarHBondContact O-N 3.35Å
74Y91.9Very high95.2Very high204 Ų20459.7 Ų59.780%0.830%0.302SS*.Hα-helixtrans-59.1-40.4175.6-179.4-97.6000112.7S72S72-Y74 PolarHBondContact O-N 3.4Å; S72-Y74 VanDerWaalsContact O-N 3.08Å
75N93.9Very high95.3Very high14 Ų1458.8 Ų58.88%0.07530%0.3CS..Hα-helixtrans-91.7-3.5180-68.3-58.5000113.4E43 K47 F71 S72 V73 N77 E78 M79E43-N75 WeakPolarHBondContact OE1-CB 3.48Å; E43-N75 PolarHBondContact OE1-ND2 3.41Å; K47-N75 PolarHBondContact NZ-OD1 2.76Å; F71-N75 HydrophobicContact CD1-CB 4.4Å; S72-N75 PolarHBondContact O-N 3.39Å; S72-N75 PolarHBondContact OG-ND2 2.92Å; V73-N75 VanDerWaalsContact C-N 3.32Å; V73-N75 PolarHBondContact O-N 3.33Å; N75-N77 PolarHBondContact O-N 3Å; N75-E78 PolarHBondContact O-N 2.68Å; N75-M79 WeakPolarHBondContact O-CG 3.2Å; N75-M79 PolarHBondContact O-N 3.24Å
76H94.6Very high95.4Very high22 Ų2257.6 Ų57.610%0.10229%0.294CS..Hα-helixtrans-56.9-50.2-177.6-79.4-169.3000112.7F71 S72 V73 E78 M79 Q80 I117F71-H76 PolarHBondContact O-CD2 3.46Å; F71-H76 PolarHBondContact O-NE2 2.96Å; S72-H76 VanDerWaalsContact C-CD2 3.49Å; S72-H76 PolarHBondContact O-CD2 2.94Å; S72-H76 PolarHBondContact O-N 3.02Å; V73-H76 WeakPolarHBondContact O-CB 3.4Å; V73-H76 PolarHBondContact O-N 3.35Å; H76-E78 VanDerWaalsContact C-N 3.27Å; H76-E78 PolarHBondContact O-N 3.07Å; H76-M79 PolarHBondContact O-N 2.52Å; H76-Q80 VanDerWaalsContact O-CB 3.31Å; H76-Q80 WeakPolarHBondContact O-CB 3.38Å; H76-Q80 WeakPolarHBondContact O-CG 3.38Å; H76-Q80 PolarHBondContact O-N 3.11Å; H76-I117 WeakPolarHBondContact CB-O 3.44Å
77N93.6Very high95.4Very high118 Ų11858.7 Ų58.763%0.63130%0.299SS*.Hα-helixtrans-57.9-42.4-179.8-86.2-31.2000112N75 N81N75-N77 PolarHBondContact O-N 3Å; N77-N81 WeakPolarHBondContact O-CB 3.48Å; N77-N81 VanDerWaalsContact O-CG 3.22Å; N77-N81 PolarHBondContact O-N 3.44Å; N77-N81 PolarHBondContact O-ND2 3.42Å
78E95.4Very high95.5Very high69 Ų6956.9 Ų56.932%0.32229%0.287SS..Hα-helixtrans-65.8-47.4179.3-170.1171.4-151.300111.4Y18 K47 N75 H76 Q80 N81 L82Y18-E78 WeakPolarHBondContact CE1-OE1 3.41Å; Y18-E78 VanDerWaalsContact CZ-OE1 3.25Å; Y18-E78 PolarHBondContact OH-OE1 3.33Å; K47-E78 VanDerWaalsContact CD-OE2 3.31Å; K47-E78 WeakPolarHBondContact CD-OE2 3.46Å; K47-E78 IonicContact NZ-OE2 2.8Å; K47-E78 PolarHBondContact NZ-OE2 3.24Å; N75-E78 PolarHBondContact O-N 2.68Å; H76-E78 VanDerWaalsContact C-N 3.27Å; H76-E78 PolarHBondContact O-N 3.07Å; E78-Q80 PolarHBondContact O-N 3.23Å; E78-N81 WeakPolarHBondContact O-CB 3.36Å; E78-N81 PolarHBondContact O-N 3.27Å; E78-L82 PolarHBondContact O-N 2.9Å
79M97.1Very high95.7Very high1 Ų152.5 Ų52.51%0.00527%0.266CS..Hα-helixtrans-69.5-32.3179.3-64.4-57.293.800112.8K47 L66 F71 N75 H76 L82 W83 I117K47-M79 HydrophobicContact CD-CE 3.77Å; K47-M79 HydrophobicContact CG-CE 3.64Å; K47-M79 HydrophobicContact CG-SD 4.25Å; L66-M79 HydrophobicContact CD2-CB 4.02Å; L66-M79 HydrophobicContact CD2-CG 4.3Å; L66-M79 HydrophobicContact CD2-SD 3.92Å; F71-M79 HydrophobicContact CD1-CG 3.71Å; F71-M79 HydrophobicContact CD1-SD 4.19Å; F71-M79 HydrophobicContact CD2-CG 4.11Å; F71-M79 HydrophobicContact CE1-CG 3.82Å; F71-M79 HydrophobicContact CE1-SD 3.67Å; F71-M79 HydrophobicContact CE2-CG 4.21Å; F71-M79 HydrophobicContact CE2-SD 4.37Å; F71-M79 HydrophobicContact CG-CG 3.86Å; F71-M79 HydrophobicContact CZ-CG 4.06Å; F71-M79 HydrophobicContact CZ-SD 3.76Å; N75-M79 WeakPolarHBondContact O-CG 3.2Å; N75-M79 PolarHBondContact O-N 3.24Å; H76-M79 PolarHBondContact O-N 2.52Å; M79-L82 HydrophobicContact CE-CD2 4.26Å; M79-L82 PolarHBondContact O-N 2.99Å; M79-L82 HydrophobicContact SD-CD2 4.29Å; M79-W83 WeakPolarHBondContact O-CB 3.26Å; M79-W83 PolarHBondContact O-N 3.26Å; M79-I117 HydrophobicContact CB-CB 4.08Å; M79-I117 HydrophobicContact CB-CD1 4.13Å; M79-I117 HydrophobicContact CB-CG2 3.67Å; M79-I117 HydrophobicContact CG-CG2 4.31Å
80Q96.4Very high95.8Very high35 Ų3554.7 Ų54.716%0.16428%0.277CS..Hα-helixtrans-65.5-40.8171.6-73173.333.100111.3H76 E78 W83 Y84 P113 I117H76-Q80 VanDerWaalsContact O-CB 3.31Å; H76-Q80 WeakPolarHBondContact O-CB 3.38Å; H76-Q80 WeakPolarHBondContact O-CG 3.38Å; H76-Q80 PolarHBondContact O-N 3.11Å; E78-Q80 PolarHBondContact O-N 3.23Å; Q80-W83 WeakPolarHBondContact O-CB 3.42Å; Q80-W83 PolarHBondContact O-N 3.08Å; Q80-Y84 WeakPolarHBondContact O-CD2 3.47Å; Q80-Y84 PolarHBondContact O-N 3.4Å; Q80-Y84 VanDerWaalsContact O-N 3.08Å; Q80-P113 HydrophobicContact CB-CG 4.48Å; Q80-P113 HydrophobicContact CG-CB 4.03Å; Q80-P113 HydrophobicContact CG-CG 3.97Å; Q80-I117 HydrophobicContact CG-CD1 4.33Å; Q80-I117 HydrophobicContact CG-CG1 4.21Å; Q80-I117 WeakPolarHBondContact CG-O 3.4Å; Q80-I117 PolarHBondContact NE2-O 3.45Å
81N96.8Very high95.9Very high99 Ų9951.2 Ų51.253%0.52925%0.253SS..Hα-helixtrans-61.6-46.3173.8-74.1-28.8000110.7N77 E78 W83 Y84 Q85N77-N81 WeakPolarHBondContact O-CB 3.48Å; N77-N81 VanDerWaalsContact O-CG 3.22Å; N77-N81 PolarHBondContact O-N 3.44Å; N77-N81 PolarHBondContact O-ND2 3.42Å; E78-N81 WeakPolarHBondContact O-CB 3.36Å; E78-N81 PolarHBondContact O-N 3.27Å; N81-W83 PolarHBondContact O-N 2.94Å; N81-Y84 PolarHBondContact O-N 3.4Å; N81-Q85 WeakPolarHBondContact O-CB 3.41Å; N81-Q85 VanDerWaalsContact O-CG 3.27Å; N81-Q85 WeakPolarHBondContact O-CG 3.22Å; N81-Q85 PolarHBondContact O-N 3.41Å
82L97.6Very high96Very high10 Ų1053 Ų535%0.05226%0.261CS..Hα-helixtrans-59.9-44.4176.4-169.264.3000112A50 F54 L62 E78 M79 Y84 Q85 A86A50-L82 HydrophobicContact CB-CD2 3.78Å; F54-L82 HydrophobicContact CB-CD1 3.64Å; F54-L82 HydrophobicContact CB-CG 4.48Å; F54-L82 HydrophobicContact CD1-CD1 3.76Å; F54-L82 HydrophobicContact CD2-CD1 4.04Å; F54-L82 HydrophobicContact CE1-CD1 4.44Å; F54-L82 HydrophobicContact CG-CD1 3.52Å; L62-L82 HydrophobicContact CD1-CD2 3.89Å; L62-L82 HydrophobicContact CD1-CG 4.34Å; E78-L82 PolarHBondContact O-N 2.9Å; M79-L82 HydrophobicContact CE-CD2 4.26Å; M79-L82 PolarHBondContact O-N 2.99Å; M79-L82 HydrophobicContact SD-CD2 4.29Å; L82-Y84 PolarHBondContact O-N 3.22Å; L82-Q85 PolarHBondContact O-N 2.96Å; L82-A86 VanDerWaalsContact O-CB 3.26Å; L82-A86 WeakPolarHBondContact O-CB 3.32Å; L82-A86 PolarHBondContact O-N 3.26Å
83W98.1Very high96.1Very high15 Ų1555.7 Ų55.76%0.05727%0.271CS..Hα-helixtrans-54.4-50.4175.2172.9-93.7000111.8F63 L66 M79 Q80 N81 A86 K87 F111 P112 P114 I117F63-W83 HydrophobicContact CB-CZ3 4.18Å; F63-W83 HydrophobicContact CD1-CD2 4.29Å; F63-W83 AromaticContact CD1-CE3 3.57Å; F63-W83 HydrophobicContact CD1-CE3 3.57Å; F63-W83 HydrophobicContact CD1-CH2 4.18Å; F63-W83 AromaticContact CD1-CZ3 3.5Å; F63-W83 HydrophobicContact CD1-CZ3 3.5Å; F63-W83 HydrophobicContact CE1-CD2 4.36Å; F63-W83 HydrophobicContact CE1-CE3 4.06Å; F63-W83 HydrophobicContact CE1-CZ3 4.3Å; F63-W83 HydrophobicContact CG-CZ3 4.15Å; L66-W83 HydrophobicContact CB-CE3 4.04Å; L66-W83 HydrophobicContact CB-CZ3 4.39Å; L66-W83 HydrophobicContact CD1-CB 4.05Å; L66-W83 HydrophobicContact CD1-CE3 3.91Å; M79-W83 WeakPolarHBondContact O-CB 3.26Å; M79-W83 PolarHBondContact O-N 3.26Å; Q80-W83 WeakPolarHBondContact O-CB 3.42Å; Q80-W83 PolarHBondContact O-N 3.08Å; N81-W83 PolarHBondContact O-N 2.94Å; W83-A86 PolarHBondContact O-N 2.85Å; W83-K87 WeakPolarHBondContact O-CG 3.47Å; W83-K87 PolarHBondContact O-N 2.85Å; W83-F111 PolarHBondContact NE1-O 2.84Å; W83-P112 WeakPolarHBondContact CZ2-O 3.31Å; W83-P112 PolarHBondContact NE1-O 3.42Å; W83-P114 HydrophobicContact CE3-CG 4.29Å; W83-P114 HydrophobicContact CZ3-CG 4.07Å; W83-I117 HydrophobicContact CB-CD1 4.08Å
84Y98Very high96.3Very high42 Ų4254.5 Ų54.517%0.16527%0.268CS..Hα-helixtrans-71.9-39.8-178.7-70-50.6000112.8Q80 N81 L82 A86 K87 Y88 R108 F111 P113Q80-Y84 WeakPolarHBondContact O-CD2 3.47Å; Q80-Y84 PolarHBondContact O-N 3.4Å; Q80-Y84 VanDerWaalsContact O-N 3.08Å; N81-Y84 PolarHBondContact O-N 3.4Å; L82-Y84 PolarHBondContact O-N 3.22Å; Y84-A86 VanDerWaalsContact C-N 3.3Å; Y84-A86 PolarHBondContact O-N 2.97Å; Y84-K87 PolarHBondContact O-N 2.96Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.46Å; Y84-Y88 PolarHBondContact O-N 3.38Å; Y84-R108 HydrophobicContact CD1-CB 4.3Å; Y84-R108 HydrophobicContact CD1-CG 3.65Å; Y84-R108 HydrophobicContact CD2-CG 4.39Å; Y84-R108 HydrophobicContact CE1-CB 3.76Å; Y84-R108 HydrophobicContact CE1-CG 3.57Å; Y84-R108 HydrophobicContact CE2-CG 4.31Å; Y84-R108 HydrophobicContact CG-CG 4.06Å; Y84-F111 WeakPolarHBondContact CE1-O 3.15Å; Y84-P113 HydrophobicContact CE1-CG 4.48Å; Y84-P113 HydrophobicContact CE2-CG 4.01Å; Y84-P113 VanDerWaalsContact OH-CD 3.28Å; Y84-P113 WeakPolarHBondContact OH-CD 3.45Å
85Q97.8Very high96.3Very high99 Ų9951.9 Ų51.946%0.46326%0.257SS..Hα-helixtrans-58.2-44.8173.9-74.9176.3-8.700111F54 N81 L82 Y88 A89F54-Q85 HydrophobicContact CE2-CB 3.9Å; F54-Q85 HydrophobicContact CZ-CB 3.84Å; N81-Q85 WeakPolarHBondContact O-CB 3.41Å; N81-Q85 VanDerWaalsContact O-CG 3.27Å; N81-Q85 WeakPolarHBondContact O-CG 3.22Å; N81-Q85 PolarHBondContact O-N 3.41Å; L82-Q85 PolarHBondContact O-N 2.96Å; Q85-Y88 PolarHBondContact O-N 2.9Å; Q85-A89 WeakPolarHBondContact O-CB 3.2Å; Q85-A89 PolarHBondContact O-N 3.31Å
86A98Very high96.3Very high0 Ų054.5 Ų54.50%029%0.287CS..Hα-helixtrans-61.8-44.117500000112.5F54 F59 L62 F63 L82 W83 Y84 Y88 A89 Q90F54-A86 HydrophobicContact CD2-CB 3.97Å; F54-A86 HydrophobicContact CE2-CB 4.26Å; F59-A86 HydrophobicContact CD1-CB 3.86Å; F59-A86 HydrophobicContact CE1-CB 4.24Å; L62-A86 HydrophobicContact CD2-CB 3.48Å; L62-A86 VanDerWaalsContact CD2-CB 3.48Å; F63-A86 HydrophobicContact CE1-CB 3.68Å; F63-A86 HydrophobicContact CZ-CB 3.79Å; L82-A86 VanDerWaalsContact O-CB 3.26Å; L82-A86 WeakPolarHBondContact O-CB 3.32Å; L82-A86 PolarHBondContact O-N 3.26Å; W83-A86 PolarHBondContact O-N 2.85Å; Y84-A86 VanDerWaalsContact C-N 3.3Å; Y84-A86 PolarHBondContact O-N 2.97Å; A86-Y88 PolarHBondContact O-N 3.41Å; A86-A89 PolarHBondContact O-N 3.45Å; A86-Q90 WeakPolarHBondContact O-CB 3.35Å; A86-Q90 PolarHBondContact O-N 3.33Å
87K97.8Very high96.3Very high23 Ų2358.5 Ų58.510%0.131%0.306CS..Hα-helixtrans-64.1-39.3175.8-72.2-65.7178.8-158.30112.4F63 W83 Y84 I91 V107 F111F63-K87 HydrophobicContact CE1-CD 3.9Å; F63-K87 HydrophobicContact CE1-CG 3.94Å; F63-K87 HydrophobicContact CE2-CD 4.09Å; F63-K87 HydrophobicContact CZ-CD 3.47Å; F63-K87 VanDerWaalsContact CZ-CD 3.47Å; F63-K87 VanDerWaalsContact CZ-CE 3.43Å; F63-K87 HydrophobicContact CZ-CG 3.86Å; W83-K87 WeakPolarHBondContact O-CG 3.47Å; W83-K87 PolarHBondContact O-N 2.85Å; Y84-K87 PolarHBondContact O-N 2.96Å; K87-I91 WeakPolarHBondContact O-CD1 3.45Å; K87-I91 VanDerWaalsContact O-CG1 3.3Å; K87-I91 WeakPolarHBondContact O-CG1 3.47Å; K87-I91 PolarHBondContact O-N 3.31Å; K87-V107 HydrophobicContact CB-CG1 3.82Å; K87-F111 HydrophobicContact CD-CB 4.25Å; K87-F111 HydrophobicContact CD-CD2 4.38Å; K87-F111 HydrophobicContact CD-CG 4.2Å; K87-F111 HydrophobicContact CG-CB 4.3Å
88Y97.9Very high96.4Very high33 Ų3360.8 Ų60.813%0.12931%0.313CS..Hα-helixtrans-64.2-51.5174.6-58.6-31.4000110.4Y84 Q85 A86 Q90 I91 E92 L99 K104 V107 R108Y84-Y88 WeakPolarHBondContact O-CD2 3.46Å; Y84-Y88 PolarHBondContact O-N 3.38Å; Q85-Y88 PolarHBondContact O-N 2.9Å; A86-Y88 PolarHBondContact O-N 3.41Å; Y88-Q90 VanDerWaalsContact C-N 3.35Å; Y88-Q90 PolarHBondContact O-N 3.26Å; Y88-I91 CarbonylContact O-C 3.41Å; Y88-I91 PolarHBondContact O-N 2.83Å; Y88-E92 WeakPolarHBondContact O-CB 3.37Å; Y88-E92 VanDerWaalsContact O-CG 3.26Å; Y88-E92 WeakPolarHBondContact O-CG 3.47Å; Y88-E92 PolarHBondContact O-N 3.12Å; Y88-L99 HydrophobicContact CD1-CD1 3.99Å; Y88-L99 HydrophobicContact CG-CD1 4.41Å; Y88-K104 HydrophobicContact CD1-CB 4.34Å; Y88-K104 HydrophobicContact CD1-CG 3.92Å; Y88-K104 HydrophobicContact CD2-CD 4.25Å; Y88-K104 HydrophobicContact CD2-CG 4.41Å; Y88-K104 HydrophobicContact CE1-CB 3.71Å; Y88-K104 HydrophobicContact CE1-CG 3.79Å; Y88-K104 HydrophobicContact CE2-CD 4.13Å; Y88-K104 HydrophobicContact CE2-CG 4.28Å; Y88-K104 HydrophobicContact CG-CG 4.25Å; Y88-V107 HydrophobicContact CD1-CB 4.08Å; Y88-V107 HydrophobicContact CD1-CG1 3.75Å; Y88-V107 HydrophobicContact CD1-CG2 4.49Å; Y88-V107 HydrophobicContact CE1-CB 3.85Å; Y88-V107 HydrophobicContact CE1-CG1 3.73Å; Y88-R108 HydrophobicContact CE1-CG 4.39Å; Y88-R108 VanDerWaalsContact OH-CD 3.23Å; Y88-R108 WeakPolarHBondContact OH-CD 3.31Å; Y88-R108 WeakPolarHBondContact OH-CG 3.37Å
89A97.2Very high96.4Very high21 Ų2158 Ų5817%0.17430%0.3CS..Hα-helixtrans-57.4-45.2-179.400000112.1F59 Q85 A86 I91 E92 I93F59-A89 HydrophobicContact CE1-CB 3.92Å; F59-A89 HydrophobicContact CZ-CB 3.6Å; Q85-A89 WeakPolarHBondContact O-CB 3.2Å; Q85-A89 PolarHBondContact O-N 3.31Å; A86-A89 PolarHBondContact O-N 3.45Å; A89-I91 VanDerWaalsContact C-N 3.29Å; A89-I91 PolarHBondContact O-N 2.78Å; A89-E92 PolarHBondContact O-N 2.86Å; A89-I93 WeakPolarHBondContact O-CB 3.33Å; A89-I93 WeakPolarHBondContact O-CD1 3.43Å; A89-I93 WeakPolarHBondContact O-CG1 3.36Å; A89-I93 PolarHBondContact O-N 3.27Å
90Q96.4Very high96.4Very high75 Ų7562.9 Ų62.935%0.3533%0.326SS..Hα-helixtrans-57.8-40.9176-175.6176.260.300112.3F59 A86 Y88 S94F59-Q90 HydrophobicContact CD2-CB 3.98Å; F59-Q90 HydrophobicContact CD2-CG 4.32Å; F59-Q90 HydrophobicContact CE2-CB 4.25Å; F59-Q90 HydrophobicContact CG-CB 4.35Å; A86-Q90 WeakPolarHBondContact O-CB 3.35Å; A86-Q90 PolarHBondContact O-N 3.33Å; Y88-Q90 VanDerWaalsContact C-N 3.35Å; Y88-Q90 PolarHBondContact O-N 3.26Å; Q90-S94 PolarHBondContact O-N 3.05Å; Q90-S94 PolarHBondContact O-OG 2.86Å; Q90-S94 VanDerWaalsContact O-OG 3.06Å
91I96.2Very high96.4Very high25 Ų2565 Ų6513%0.12835%0.35CS..Hα-helixtrans-76.8-38.3179.7-66.2170.2000111.7K87 Y88 A89 S94 R95 L99 V107 F111K87-I91 WeakPolarHBondContact O-CD1 3.45Å; K87-I91 VanDerWaalsContact O-CG1 3.3Å; K87-I91 WeakPolarHBondContact O-CG1 3.47Å; K87-I91 PolarHBondContact O-N 3.31Å; Y88-I91 CarbonylContact O-C 3.41Å; Y88-I91 PolarHBondContact O-N 2.83Å; A89-I91 VanDerWaalsContact C-N 3.29Å; A89-I91 PolarHBondContact O-N 2.78Å; I91-S94 WeakPolarHBondContact CA-OG 3.38Å; I91-S94 PolarHBondContact O-N 2.92Å; I91-S94 PolarHBondContact O-OG 3.23Å; I91-R95 HydrophobicContact CG2-CG 4.28Å; I91-R95 WeakPolarHBondContact O-CB 3.47Å; I91-R95 WeakPolarHBondContact O-CG 3.3Å; I91-R95 PolarHBondContact O-N 2.98Å; I91-L99 HydrophobicContact CB-CD1 4.13Å; I91-L99 HydrophobicContact CG2-CD1 3.99Å; I91-L99 HydrophobicContact CG2-CD2 3.86Å; I91-L99 HydrophobicContact CG2-CG 4.35Å; I91-V107 HydrophobicContact CD1-CB 4.31Å; I91-V107 HydrophobicContact CD1-CG1 3.95Å; I91-V107 HydrophobicContact CD1-CG2 3.37Å; I91-F111 HydrophobicContact CD1-CE2 4.31Å
92E97Very high96.3Very high47 Ų4764.4 Ų64.422%0.2235%0.35CS..Hα-helixtrans-65.1-40.8177.5-71.1174.6161.900110.9Y88 A89 R95 G96 H97 L99Y88-E92 WeakPolarHBondContact O-CB 3.37Å; Y88-E92 VanDerWaalsContact O-CG 3.26Å; Y88-E92 WeakPolarHBondContact O-CG 3.47Å; Y88-E92 PolarHBondContact O-N 3.12Å; A89-E92 PolarHBondContact O-N 2.86Å; E92-R95 PolarHBondContact O-N 3.45Å; E92-G96 WeakPolarHBondContact O-CA 3.35Å; E92-G96 PolarHBondContact O-N 3.28Å; E92-H97 PolarHBondContact O-N 3.08Å; E92-L99 HydrophobicContact CG-CB 4.29Å; E92-L99 HydrophobicContact CG-CD1 3.95Å; E92-L99 HydrophobicContact CG-CG 3.65Å; E92-L99 PolarHBondContact OE1-N 2.96Å
93I95.7Very high96.2Very high100 Ų10064.6 Ų64.651%0.51335%0.352SS..Hα-helixtrans-62.3-46.2174.4-70.4163.3000110.9K57 F59 A89 R95K57-I93 HydrophobicContact CD-CD1 4.02Å; F59-I93 HydrophobicContact CE2-CD1 3.77Å; F59-I93 HydrophobicContact CZ-CD1 4.06Å; A89-I93 WeakPolarHBondContact O-CB 3.33Å; A89-I93 WeakPolarHBondContact O-CD1 3.43Å; A89-I93 WeakPolarHBondContact O-CG1 3.36Å; A89-I93 PolarHBondContact O-N 3.27Å; I93-R95 VanDerWaalsContact C-N 3.34Å; I93-R95 PolarHBondContact O-N 3.48Å
94S94.2Very high96.2Very high93 Ų9367.4 Ų67.465%0.6537%0.365SS*.Hα-helixtrans-70.6-25.7-179.754.60000114.3Q90 I91Q90-S94 PolarHBondContact O-N 3.05Å; Q90-S94 PolarHBondContact O-OG 2.86Å; Q90-S94 VanDerWaalsContact O-OG 3.06Å; I91-S94 WeakPolarHBondContact CA-OG 3.38Å; I91-S94 PolarHBondContact O-N 2.92Å; I91-S94 PolarHBondContact O-OG 3.23Å
95R93.6Very high96.1Very high148 Ų14871.5 Ų71.556%0.55838%0.381SS*.Hα-helixtrans-95.5-18.3178.9-68.8-177.2177.6-169.8-4114.1I91 E92 I93 H97I91-R95 HydrophobicContact CG2-CG 4.28Å; I91-R95 WeakPolarHBondContact O-CB 3.47Å; I91-R95 WeakPolarHBondContact O-CG 3.3Å; I91-R95 PolarHBondContact O-N 2.98Å; E92-R95 PolarHBondContact O-N 3.45Å; I93-R95 VanDerWaalsContact C-N 3.34Å; I93-R95 PolarHBondContact O-N 3.48Å; R95-H97 VanDerWaalsContact C-N 3.28Å; R95-H97 PolarHBondContact O-N 2.87Å
96G93.7Very high96Very high70 Ų7075.2 Ų75.272%0.72239%0.391SS*.THydrogen-bonded Turntrans73.612.7-176.400000114.7E92E92-G96 WeakPolarHBondContact O-CA 3.35Å; E92-G96 PolarHBondContact O-N 3.28Å
97H94.5Very high95.9Very high105 Ų10575.8 Ų75.849%0.48639%0.394SS..SBendtrans-147.8155.3177.973.280.9000112.1E92 R95E92-H97 PolarHBondContact O-N 3.08Å; R95-H97 VanDerWaalsContact C-N 3.28Å; R95-H97 PolarHBondContact O-N 2.87Å
98Q95.2Very high95.8Very high167 Ų16780.2 Ų80.278%0.7841%0.41SS*.PPolyproline II helixtrans-67.6145.4177.8-66.9-177.7-4.200111.9
99L95.5Very high95.5Very high9 Ų986.1 Ų86.15%0.04744%0.437CS..PPolyproline II helixtrans-82.6126.6178.6-67.5167.9000110.9Y88 I91 E92 A103 K104 V107Y88-L99 HydrophobicContact CD1-CD1 3.99Å; Y88-L99 HydrophobicContact CG-CD1 4.41Å; I91-L99 HydrophobicContact CB-CD1 4.13Å; I91-L99 HydrophobicContact CG2-CD1 3.99Å; I91-L99 HydrophobicContact CG2-CD2 3.86Å; I91-L99 HydrophobicContact CG2-CG 4.35Å; E92-L99 HydrophobicContact CG-CB 4.29Å; E92-L99 HydrophobicContact CG-CD1 3.95Å; E92-L99 HydrophobicContact CG-CG 3.65Å; E92-L99 PolarHBondContact OE1-N 2.96Å; L99-A103 HydrophobicContact CB-CB 4.14Å; L99-A103 HydrophobicContact CD2-CB 3.63Å; L99-A103 HydrophobicContact CG-CB 4.45Å; L99-K104 HydrophobicContact CB-CD 4.46Å; L99-K104 HydrophobicContact CB-CG 3.69Å; L99-K104 HydrophobicContact CD1-CG 4.43Å; L99-K104 VanDerWaalsContact O-CE 3.3Å; L99-K104 WeakPolarHBondContact O-CE 3.27Å; L99-V107 HydrophobicContact CD1-CG2 4.24Å
100N96.1Very high95.4Very high104 Ų10492.6 Ų92.656%0.55646%0.461SS*.PPolyproline II helixtrans-68.7170.3168.168.241.8000112V102 A103 K104N100-V102 VanDerWaalsContact C-N 3.3Å; N100-V102 PolarHBondContact O-N 3.01Å; N100-V102 PolarHBondContact OD1-N 3.23Å; N100-V102 VanDerWaalsContact OD1-N 3.15Å; N100-A103 PolarHBondContact O-N 2.81Å; N100-A103 VanDerWaalsContact O-N 3.14Å; N100-A103 WeakPolarHBondContact OD1-CB 3.39Å; N100-A103 PolarHBondContact OD1-N 3.47Å; N100-K104 PolarHBondContact O-N 2.92Å
101A96.5Very high95.4Very high81 Ų8192.1 Ų92.167%0.66946%0.458SS*.Hα-helixtrans-56.9-39.3-176.600000113.7Y105A101-Y105 WeakPolarHBondContact O-CB 3.28Å; A101-Y105 PolarHBondContact O-N 2.86Å
102V95.9Very high95.2Very high86 Ų8694 Ų9452%0.52147%0.472SS..Hα-helixtrans-69.3-41.4179.4-179.10000110.7N100 Y105 R106N100-V102 VanDerWaalsContact C-N 3.3Å; N100-V102 PolarHBondContact O-N 3.01Å; N100-V102 PolarHBondContact OD1-N 3.23Å; N100-V102 VanDerWaalsContact OD1-N 3.15Å; V102-Y105 WeakPolarHBondContact O-CB 3.35Å; V102-Y105 PolarHBondContact O-N 3.3Å; V102-R106 WeakPolarHBondContact O-CG 3.17Å; V102-R106 PolarHBondContact O-N 3.21Å
103A96Very high95.1Very high13 Ų1392.2 Ų92.211%0.10746%0.464CS..Hα-helixtrans-65.2-44.4176.900000111L99 N100 Y105 R106 V107L99-A103 HydrophobicContact CB-CB 4.14Å; L99-A103 HydrophobicContact CD2-CB 3.63Å; L99-A103 HydrophobicContact CG-CB 4.45Å; N100-A103 PolarHBondContact O-N 2.81Å; N100-A103 VanDerWaalsContact O-N 3.14Å; N100-A103 WeakPolarHBondContact OD1-CB 3.39Å; N100-A103 PolarHBondContact OD1-N 3.47Å; A103-Y105 VanDerWaalsContact C-N 3.33Å; A103-Y105 PolarHBondContact O-N 3.27Å; A103-R106 WeakPolarHBondContact O-CB 3.4Å; A103-R106 PolarHBondContact O-N 3.19Å; A103-R106 VanDerWaalsContact O-N 3.12Å; A103-V107 WeakPolarHBondContact O-CG2 3.49Å; A103-V107 PolarHBondContact O-N 3.31Å
104K97.6Very high95.1Very high74 Ų7488.2 Ų88.232%0.32245%0.445SS..Hα-helixtrans-58.7-41.8172.7-71.2-176.6172.3172.90112.1Y88 L99 N100 R106 V107 R108Y88-K104 HydrophobicContact CD1-CB 4.34Å; Y88-K104 HydrophobicContact CD1-CG 3.92Å; Y88-K104 HydrophobicContact CD2-CD 4.25Å; Y88-K104 HydrophobicContact CD2-CG 4.41Å; Y88-K104 HydrophobicContact CE1-CB 3.71Å; Y88-K104 HydrophobicContact CE1-CG 3.79Å; Y88-K104 HydrophobicContact CE2-CD 4.13Å; Y88-K104 HydrophobicContact CE2-CG 4.28Å; Y88-K104 HydrophobicContact CG-CG 4.25Å; L99-K104 HydrophobicContact CB-CD 4.46Å; L99-K104 HydrophobicContact CB-CG 3.69Å; L99-K104 HydrophobicContact CD1-CG 4.43Å; L99-K104 VanDerWaalsContact O-CE 3.3Å; L99-K104 WeakPolarHBondContact O-CE 3.27Å; N100-K104 PolarHBondContact O-N 2.92Å; K104-R106 PolarHBondContact O-N 3.42Å; K104-V107 PolarHBondContact O-N 3.46Å; K104-R108 WeakPolarHBondContact O-CG 3.14Å; K104-R108 PolarHBondContact O-N 2.97Å
105Y95.4Very high94.9Very high128 Ų12893.1 Ų93.150%0.50245%0.454SS..Hα-helixtrans-58.9-45.2172.9171.8-98.8000112.6A101 V102 A103 V107 R108 K109A101-Y105 WeakPolarHBondContact O-CB 3.28Å; A101-Y105 PolarHBondContact O-N 2.86Å; V102-Y105 WeakPolarHBondContact O-CB 3.35Å; V102-Y105 PolarHBondContact O-N 3.3Å; A103-Y105 VanDerWaalsContact C-N 3.33Å; A103-Y105 PolarHBondContact O-N 3.27Å; Y105-V107 VanDerWaalsContact C-N 3.3Å; Y105-V107 PolarHBondContact O-N 2.86Å; Y105-R108 PolarHBondContact O-N 3.12Å; Y105-K109 HydrophobicContact CE1-CD 4.48Å; Y105-K109 PolarHBondContact O-N 2.92Å
106R95.9Very high94.9Very high177 Ų17787.3 Ų87.367%0.66844%0.435SS*.Hα-helixtrans-61.2-39.9176.8-70.8173.2179.6177.80.3111.8V102 A103 K104 K109 K110V102-R106 WeakPolarHBondContact O-CG 3.17Å; V102-R106 PolarHBondContact O-N 3.21Å; A103-R106 WeakPolarHBondContact O-CB 3.4Å; A103-R106 PolarHBondContact O-N 3.19Å; A103-R106 VanDerWaalsContact O-N 3.12Å; K104-R106 PolarHBondContact O-N 3.42Å; R106-K109 PolarHBondContact O-N 3.4Å; R106-K110 WeakPolarHBondContact O-CB 3.43Å; R106-K110 PolarHBondContact O-N 3.05Å
107V95.9Very high94.9Very high12 Ų1284 Ų847%0.07340%0.401CS..Hα-helixtrans-62.9-49.5176.4172.40000110.9K87 Y88 I91 L99 A103 K104 Y105 K109 K110 F111K87-V107 HydrophobicContact CB-CG1 3.82Å; Y88-V107 HydrophobicContact CD1-CB 4.08Å; Y88-V107 HydrophobicContact CD1-CG1 3.75Å; Y88-V107 HydrophobicContact CD1-CG2 4.49Å; Y88-V107 HydrophobicContact CE1-CB 3.85Å; Y88-V107 HydrophobicContact CE1-CG1 3.73Å; I91-V107 HydrophobicContact CD1-CB 4.31Å; I91-V107 HydrophobicContact CD1-CG1 3.95Å; I91-V107 HydrophobicContact CD1-CG2 3.37Å; L99-V107 HydrophobicContact CD1-CG2 4.24Å; A103-V107 WeakPolarHBondContact O-CG2 3.49Å; A103-V107 PolarHBondContact O-N 3.31Å; K104-V107 PolarHBondContact O-N 3.46Å; Y105-V107 VanDerWaalsContact C-N 3.3Å; Y105-V107 PolarHBondContact O-N 2.86Å; V107-K109 PolarHBondContact O-N 3.4Å; V107-K110 PolarHBondContact O-N 3.33Å; V107-K110 VanDerWaalsContact O-N 3.12Å; V107-F111 HydrophobicContact CG1-CD2 4.05Å; V107-F111 PolarHBondContact O-N 3Å
108R94.9Very high94.7Very high116 Ų11682.9 Ų82.944%0.43839%0.393SS..Hα-helixtrans-57.2-39.9177.3-67.3-171.3-76.4171.5-2.4112.7Y84 Y88 K104 Y105 F111Y84-R108 HydrophobicContact CD1-CB 4.3Å; Y84-R108 HydrophobicContact CD1-CG 3.65Å; Y84-R108 HydrophobicContact CD2-CG 4.39Å; Y84-R108 HydrophobicContact CE1-CB 3.76Å; Y84-R108 HydrophobicContact CE1-CG 3.57Å; Y84-R108 HydrophobicContact CE2-CG 4.31Å; Y84-R108 HydrophobicContact CG-CG 4.06Å; Y88-R108 HydrophobicContact CE1-CG 4.39Å; Y88-R108 VanDerWaalsContact OH-CD 3.23Å; Y88-R108 WeakPolarHBondContact OH-CD 3.31Å; Y88-R108 WeakPolarHBondContact OH-CG 3.37Å; K104-R108 WeakPolarHBondContact O-CG 3.14Å; K104-R108 PolarHBondContact O-N 2.97Å; Y105-R108 PolarHBondContact O-N 3.12Å; R108-F111 CarbonylContact O-C 3.34Å
109K92.5Very high93.9Very high157 Ų15781 Ų8168%0.68339%0.388SS*.Hα-helixtrans-69.2-39.1178-171.1175.4-177.7-179.20112.7Y105 R106 V107Y105-K109 HydrophobicContact CE1-CD 4.48Å; Y105-K109 PolarHBondContact O-N 2.92Å; R106-K109 PolarHBondContact O-N 3.4Å; V107-K109 PolarHBondContact O-N 3.4Å
110K95.3Very high92.7Very high157 Ų15781.5 Ų81.568%0.68340%0.395SS*.Hα-helixtrans-75.6-32.4-179.3-174.6173.5178.3-179.60112.3R106 V107R106-K110 WeakPolarHBondContact O-CB 3.43Å; R106-K110 PolarHBondContact O-N 3.05Å; V107-K110 PolarHBondContact O-N 3.33Å; V107-K110 VanDerWaalsContact O-N 3.12Å
111F95.1Very high91.3Very high66 Ų6680.6 Ų80.629%0.28939%0.39SS..SBendtrans-128.171.7-174.4-55.2-70.7000110.4W83 Y84 K87 I91 V107 R108W83-F111 PolarHBondContact NE1-O 2.84Å; Y84-F111 WeakPolarHBondContact CE1-O 3.15Å; K87-F111 HydrophobicContact CD-CB 4.25Å; K87-F111 HydrophobicContact CD-CD2 4.38Å; K87-F111 HydrophobicContact CD-CG 4.2Å; K87-F111 HydrophobicContact CG-CB 4.3Å; I91-F111 HydrophobicContact CD1-CE2 4.31Å; V107-F111 HydrophobicContact CG1-CD2 4.05Å; V107-F111 PolarHBondContact O-N 3Å; R108-F111 CarbonylContact O-C 3.34Å
112P93.7Very high89.3Confident65 Ų6584.1 Ų84.142%0.42239%0.393SS..PPolyproline II helixtrans-60.6157.217329.2-35.5000110.5W83 W118W83-P112 WeakPolarHBondContact CZ2-O 3.31Å; W83-P112 PolarHBondContact NE1-O 3.42Å; P112-W118 HydrophobicContact CB-CZ3 4.27Å
113P94.6Very high87.4Confident8 Ų885.9 Ų85.95%0.05240%0.403CS..PPolyproline II helixtrans-67.8152.3177.6-11.229.4000110.1Q80 Y84 I117 W118Q80-P113 HydrophobicContact CB-CG 4.48Å; Q80-P113 HydrophobicContact CG-CB 4.03Å; Q80-P113 HydrophobicContact CG-CG 3.97Å; Y84-P113 HydrophobicContact CE1-CG 4.48Å; Y84-P113 HydrophobicContact CE2-CG 4.01Å; Y84-P113 VanDerWaalsContact OH-CD 3.28Å; Y84-P113 WeakPolarHBondContact OH-CD 3.45Å; P113-I117 HydrophobicContact CB-CD1 3.94Å; P113-I117 HydrophobicContact CB-CG1 3.79Å; P113-W118 HydrophobicContact CB-CB 3.89Å; P113-W118 HydrophobicContact CB-CG 4.45Å; P113-W118 HydrophobicContact CG-CB 4.32Å; P113-W118 HydrophobicContact CG-CG 4.39Å
114P94.4Very high86Confident17 Ų1787.2 Ų87.211%0.1141%0.41CS..PPolyproline II helixtrans-70.8161.9176.727.1-33.2000113.2L66 N67 W83 T116 I117 W118L66-P114 VanDerWaalsContact O-CG 3.24Å; L66-P114 WeakPolarHBondContact O-CG 3.26Å; N67-P114 WeakPolarHBondContact OD1-CB 3.26Å; N67-P114 WeakPolarHBondContact OD1-CG 3.31Å; W83-P114 HydrophobicContact CE3-CG 4.29Å; W83-P114 HydrophobicContact CZ3-CG 4.07Å; P114-T116 WeakPolarHBondContact CB-OG1 3.23Å; P114-T116 WeakPolarHBondContact CG-OG1 3.08Å; P114-T116 PolarHBondContact O-N 3.47Å; P114-T116 VanDerWaalsContact O-N 3.1Å; P114-I117 HydrophobicContact CG-CD1 4.15Å; P114-I117 HydrophobicContact CG-CG1 3.98Å; P114-I117 PolarHBondContact O-N 3.24Å; P114-W118 PolarHBondContact O-N 3.26Å
115K91.6Very high84.4Confident195 Ų19590.4 Ų90.485%0.84842%0.421SS*.THydrogen-bonded Turntrans-57.1-27.9-177.6-71-172.6177.9-177.90114.3I117 W118K115-I117 PolarHBondContact O-N 2.96Å; K115-W118 VanDerWaalsContact CA-O 3.22Å; K115-W118 WeakPolarHBondContact CA-O 3.39Å
116T93.3Very high83.1Confident26 Ų2692.7 Ų92.716%0.1643%0.43CS..THydrogen-bonded Turntrans-63.1-22.8176.538.30000114.6L66 N67 F69 F71 P114L66-T116 WeakPolarHBondContact O-CB 3.44Å; L66-T116 PolarHBondContact O-OG1 2.84Å; N67-T116 VanDerWaalsContact O-CG2 3.28Å; N67-T116 WeakPolarHBondContact O-CG2 3.3Å; F69-T116 WeakPolarHBondContact O-CB 3.43Å; F69-T116 WeakPolarHBondContact O-CG2 3.48Å; F71-T116 PolarHBondContact N-O 3.13Å; P114-T116 WeakPolarHBondContact CB-OG1 3.23Å; P114-T116 WeakPolarHBondContact CG-OG1 3.08Å; P114-T116 PolarHBondContact O-N 3.47Å; P114-T116 VanDerWaalsContact O-N 3.1Å
117I93.4Very high81.7Confident0 Ų089.4 Ų89.40%042%0.421CS..THydrogen-bonded Turntrans-129.17.2178.666.2179.4000112.1L66 F71 H76 M79 Q80 W83 P113 P114 K115L66-I117 HydrophobicContact CD2-CD1 4.47Å; F71-I117 HydrophobicContact CB-CG2 4.14Å; F71-I117 HydrophobicContact CD2-CG2 3.39Å; F71-I117 HydrophobicContact CE2-CG2 4.12Å; F71-I117 HydrophobicContact CG-CG2 4.05Å; H76-I117 WeakPolarHBondContact CB-O 3.44Å; M79-I117 HydrophobicContact CB-CB 4.08Å; M79-I117 HydrophobicContact CB-CD1 4.13Å; M79-I117 HydrophobicContact CB-CG2 3.67Å; M79-I117 HydrophobicContact CG-CG2 4.31Å; Q80-I117 HydrophobicContact CG-CD1 4.33Å; Q80-I117 HydrophobicContact CG-CG1 4.21Å; Q80-I117 WeakPolarHBondContact CG-O 3.4Å; Q80-I117 PolarHBondContact NE2-O 3.45Å; W83-I117 HydrophobicContact CB-CD1 4.08Å; P113-I117 HydrophobicContact CB-CD1 3.94Å; P113-I117 HydrophobicContact CB-CG1 3.79Å; P114-I117 HydrophobicContact CG-CD1 4.15Å; P114-I117 HydrophobicContact CG-CG1 3.98Å; P114-I117 PolarHBondContact O-N 3.24Å; K115-I117 PolarHBondContact O-N 2.96Å
118W89.4Confident80.8Confident83 Ų8393.5 Ų93.531%0.31444%0.438SS..  trans-159.4111.1-176.6-175.459.4000110.6P112 P113 P114 K115 G120 D121P112-W118 HydrophobicContact CB-CZ3 4.27Å; P113-W118 HydrophobicContact CB-CB 3.89Å; P113-W118 HydrophobicContact CB-CG 4.45Å; P113-W118 HydrophobicContact CG-CB 4.32Å; P113-W118 HydrophobicContact CG-CG 4.39Å; P114-W118 PolarHBondContact O-N 3.26Å; K115-W118 VanDerWaalsContact CA-O 3.22Å; K115-W118 WeakPolarHBondContact CA-O 3.39Å; W118-G120 PolarHBondContact O-N 3.12Å; W118-D121 HydrophobicContact CZ2-CB 4Å
119D78.6Confident80.2Confident127 Ų12790.8 Ų90.868%0.67943%0.432SS*.  trans-69.3-10.5178.458.7-13.5000114.2
120G70.9Confident79.9Confident19 Ų1990.6 Ų90.620%0.19643%0.431CS..  trans87.5136.5-173.600000111.1W118 Q122W118-G120 PolarHBondContact O-N 3.12Å; G120-Q122 PolarHBondContact O-N 3.4Å
121D67Low79.6Confident85 Ų8583.6 Ų83.646%0.45540%0.402SS..  trans-8248.6-176.9-145.88.8000111W118 V123 T124 Y125W118-D121 HydrophobicContact CZ2-CB 4Å; D121-V123 PolarHBondContact O-N 3.18Å; D121-T124 WeakPolarHBondContact O-CB 3.18Å; D121-T124 PolarHBondContact O-N 3.43Å; D121-T124 WeakPolarHBondContact OD1-CB 3.38Å; D121-T124 PolarHBondContact OD1-OG1 3.09Å; D121-T124 WeakPolarHBondContact OD2-CB 3.43Å; D121-T124 WeakPolarHBondContact OD2-CG2 3.35Å; D121-T124 PolarHBondContact OD2-OG1 3.41Å; D121-Y125 PolarHBondContact O-N 3.12Å
122Q53.8Low79.4Confident155 Ų15585.1 Ų85.172%0.72441%0.406SS*.Hα-helixtrans-60.7-43.9-171.5-67.9-172.210.900111.8G120 T124 Y125 Y126G120-Q122 PolarHBondContact O-N 3.4Å; Q122-T124 VanDerWaalsContact C-N 3.29Å; Q122-T124 PolarHBondContact O-N 3.4Å; Q122-Y125 PolarHBondContact O-N 2.98Å; Q122-Y125 VanDerWaalsContact O-N 3.12Å; Q122-Y126 PolarHBondContact O-N 3.14Å; Q122-Y126 VanDerWaalsContact O-N 3.09Å
123V56.9Low79.3Confident123 Ų12385.8 Ų85.875%0.74541%0.406SS*.Hα-helixtrans-62-41.2177.8-1790000110.5D121 Y125 Y126 F127D121-V123 PolarHBondContact O-N 3.18Å; V123-Y125 VanDerWaalsContact C-N 3.33Å; V123-Y125 PolarHBondContact O-N 3.28Å; V123-Y126 PolarHBondContact O-N 3.33Å; V123-F127 PolarHBondContact O-N 2.63Å; V123-F127 VanDerWaalsContact O-N 3.12Å
124T65.1Low79.3Confident42 Ų4286.7 Ų86.726%0.25841%0.408SS..Hα-helixtrans-66-34.4176.5-61.80000112D121 Q122 K128D121-T124 WeakPolarHBondContact O-CB 3.18Å; D121-T124 PolarHBondContact O-N 3.43Å; D121-T124 WeakPolarHBondContact OD1-CB 3.38Å; D121-T124 PolarHBondContact OD1-OG1 3.09Å; D121-T124 WeakPolarHBondContact OD2-CB 3.43Å; D121-T124 WeakPolarHBondContact OD2-CG2 3.35Å; D121-T124 PolarHBondContact OD2-OG1 3.41Å; Q122-T124 VanDerWaalsContact C-N 3.29Å; Q122-T124 PolarHBondContact O-N 3.4Å; T124-K128 HydrophobicContact CG2-CD 3.73Å; T124-K128 HydrophobicContact CG2-CG 4.35Å; T124-K128 WeakPolarHBondContact O-CB 3.46Å; T124-K128 WeakPolarHBondContact O-CD 3.09Å; T124-K128 WeakPolarHBondContact O-CG 3.48Å; T124-K128 PolarHBondContact O-N 3.25Å
125Y64.6Low79.4Confident140 Ų14085.9 Ų85.955%0.54940%0.403SS..Hα-helixtrans-67.8-46175.7-166.6-91.7000111.7D121 Q122 V123 K128 D129D121-Y125 PolarHBondContact O-N 3.12Å; Q122-Y125 PolarHBondContact O-N 2.98Å; Q122-Y125 VanDerWaalsContact O-N 3.12Å; V123-Y125 VanDerWaalsContact C-N 3.33Å; V123-Y125 PolarHBondContact O-N 3.28Å; Y125-K128 CarbonylContact O-C 3.59Å; Y125-K128 PolarHBondContact O-N 3.44Å; Y125-D129 WeakPolarHBondContact O-CB 3.11Å; Y125-D129 PolarHBondContact O-N 2.85Å
126Y69.2Low79.5Confident177 Ų17778.4 Ų78.469%0.69438%0.378SS*.Hα-helixtrans-59.6-49.7178.5178.7-102.6000112.2Q122 V123 K128 D129 K130Q122-Y126 PolarHBondContact O-N 3.14Å; Q122-Y126 VanDerWaalsContact O-N 3.09Å; V123-Y126 PolarHBondContact O-N 3.33Å; Y126-K128 VanDerWaalsContact C-N 3.32Å; Y126-K128 PolarHBondContact O-N 2.94Å; Y126-D129 WeakPolarHBondContact O-CB 3.41Å; Y126-D129 PolarHBondContact O-N 3.4Å; Y126-D129 VanDerWaalsContact O-N 3.07Å; Y126-K130 PolarHBondContact O-N 3.12Å
127F65.4Low79.6Confident108 Ų10882.5 Ų82.547%0.47440%0.395SS..Hα-helixtrans-59.2-45.1175.8178.3-96.8000111.5V123 D129 S131 L159V123-F127 PolarHBondContact O-N 2.63Å; V123-F127 VanDerWaalsContact O-N 3.12Å; F127-D129 PolarHBondContact O-N 2.86Å; F127-S131 PolarHBondContact O-N 2.98Å; F127-S131 PolarHBondContact O-OG 3.15Å; F127-L159 HydrophobicContact CE1-CD2 4.48Å
128K76.3Confident79.7Confident98 Ų9884.7 Ų84.743%0.42641%0.405SS..Hα-helixtrans-66-23.7177.5-73.5172.3-178.4165.10112.7T124 Y125 Y126 R132T124-K128 HydrophobicContact CG2-CD 3.73Å; T124-K128 HydrophobicContact CG2-CG 4.35Å; T124-K128 WeakPolarHBondContact O-CB 3.46Å; T124-K128 WeakPolarHBondContact O-CD 3.09Å; T124-K128 WeakPolarHBondContact O-CG 3.48Å; T124-K128 PolarHBondContact O-N 3.25Å; Y125-K128 CarbonylContact O-C 3.59Å; Y125-K128 PolarHBondContact O-N 3.44Å; Y126-K128 VanDerWaalsContact C-N 3.32Å; Y126-K128 PolarHBondContact O-N 2.94Å; K128-R132 WeakPolarHBondContact O-CB 3.5Å; K128-R132 WeakPolarHBondContact O-CG 3.36Å; K128-R132 PolarHBondContact O-N 3Å; K128-R132 VanDerWaalsContact O-N 3.12Å; K128-R132 PolarHBondContact O-NE 3.05Å
129D83.2Confident80Confident58 Ų5881.6 Ų81.631%0.3139%0.394SS..Hα-helixtrans-76-48.1179.9-16163.9000111.1Y125 Y126 F127 S131 R132 N133Y125-D129 WeakPolarHBondContact O-CB 3.11Å; Y125-D129 PolarHBondContact O-N 2.85Å; Y126-D129 WeakPolarHBondContact O-CB 3.41Å; Y126-D129 PolarHBondContact O-N 3.4Å; Y126-D129 VanDerWaalsContact O-N 3.07Å; F127-D129 PolarHBondContact O-N 2.86Å; D129-S131 PolarHBondContact O-N 3.02Å; D129-R132 WeakPolarHBondContact O-CA 3.19Å; D129-R132 WeakPolarHBondContact O-CB 3.2Å; D129-R132 PolarHBondContact O-N 3.36Å; D129-N133 PolarHBondContact O-N 3.29Å; D129-N133 PolarHBondContact O-ND2 3.29Å; D129-N133 PolarHBondContact OD2-ND2 3.07Å; D129-N133 VanDerWaalsContact OD2-ND2 3.13Å
130K86.6Confident80.7Confident153 Ų15381.5 Ų81.567%0.66540%0.398SS*.Hα-helixtrans-56.5-47.6175.1-173.3176.9-178.51770112.1Y126 R132 N133 Y134Y126-K130 PolarHBondContact O-N 3.12Å; K130-R132 VanDerWaalsContact C-N 3.3Å; K130-R132 PolarHBondContact O-N 3.4Å; K130-N133 PolarHBondContact O-N 3.24Å; K130-Y134 PolarHBondContact O-N 3.4Å; K130-Y134 VanDerWaalsContact O-N 3.12Å
131S89.2Confident81.8Confident10 Ų1087.6 Ų87.67%0.0742%0.421CS..Hα-helixtrans-66.8-32.2177.3-53.20000112.1F127 D129 L135 S157F127-S131 PolarHBondContact O-N 2.98Å; F127-S131 PolarHBondContact O-OG 3.15Å; D129-S131 PolarHBondContact O-N 3.02Å; S131-L135 VanDerWaalsContact O-CG 3.26Å; S131-L135 WeakPolarHBondContact O-CG 3.48Å; S131-L135 PolarHBondContact O-N 3.04Å; S131-L135 VanDerWaalsContact O-N 3.09Å; S131-S157 PolarHBondContact OG-O 2.89Å
132R89.4Confident83.1Confident99 Ų9986 Ų8637%0.37441%0.413SS..Hα-helixtrans-68.8-43.7175.4-87.4-178.7-104.8-165.61.7112.5K128 D129 K130 L135 A136K128-R132 WeakPolarHBondContact O-CB 3.5Å; K128-R132 WeakPolarHBondContact O-CG 3.36Å; K128-R132 PolarHBondContact O-N 3Å; K128-R132 VanDerWaalsContact O-N 3.12Å; K128-R132 PolarHBondContact O-NE 3.05Å; D129-R132 WeakPolarHBondContact O-CA 3.19Å; D129-R132 WeakPolarHBondContact O-CB 3.2Å; D129-R132 PolarHBondContact O-N 3.36Å; K130-R132 VanDerWaalsContact C-N 3.3Å; K130-R132 PolarHBondContact O-N 3.4Å; R132-L135 PolarHBondContact O-N 3.07Å; R132-A136 WeakPolarHBondContact O-CB 3.09Å; R132-A136 PolarHBondContact O-N 3.47Å
133N92.8Very high85.1Confident79 Ų7980.5 Ų80.542%0.42239%0.391SS..Hα-helixtrans-63.1-46.4178.9-65.6-21.5000110.2D129 K130 L135 A136 E137D129-N133 PolarHBondContact O-N 3.29Å; D129-N133 PolarHBondContact O-ND2 3.29Å; D129-N133 PolarHBondContact OD2-ND2 3.07Å; D129-N133 VanDerWaalsContact OD2-ND2 3.13Å; K130-N133 PolarHBondContact O-N 3.24Å; N133-L135 PolarHBondContact O-N 3.33Å; N133-A136 WeakPolarHBondContact O-CB 3.45Å; N133-A136 PolarHBondContact O-N 3.3Å; N133-A136 VanDerWaalsContact O-N 3.13Å; N133-E137 WeakPolarHBondContact O-CG 3.47Å; N133-E137 PolarHBondContact O-N 3.48Å
134Y94.8Very high86.9Confident26 Ų2682.7 Ų82.710%0.10239%0.387CS..Hα-helixtrans-57.1-47.3173.7174.9-107.1000112.8K130 A136 E137 Q138 M153 K156K130-Y134 PolarHBondContact O-N 3.4Å; K130-Y134 VanDerWaalsContact O-N 3.12Å; Y134-A136 VanDerWaalsContact C-N 3.31Å; Y134-A136 PolarHBondContact O-N 2.99Å; Y134-E137 PolarHBondContact O-N 3.29Å; Y134-Q138 HydrophobicContact CD2-CG 4.38Å; Y134-Q138 HydrophobicContact CE1-CG 4.07Å; Y134-Q138 HydrophobicContact CE2-CG 3.91Å; Y134-Q138 VanDerWaalsContact O-CG 3.31Å; Y134-Q138 WeakPolarHBondContact O-CG 3.49Å; Y134-Q138 PolarHBondContact O-N 3.14Å; Y134-M153 HydrophobicContact CE1-CB 3.99Å; Y134-M153 HydrophobicContact CE1-CG 4.03Å; Y134-K156 HydrophobicContact CE1-CB 4.33Å; Y134-K156 HydrophobicContact CE1-CG 4.44Å; Y134-K156 HydrophobicContact CE2-CD 3.8Å; Y134-K156 HydrophobicContact CE2-CG 4.3Å
135L95.2Very high88.4Confident1 Ų181 Ų811%0.00538%0.377CS..Hα-helixtrans-66.5-32.6177.8-69.5178.5000112.7S131 R132 N133 Q138 F139 M153 L159 V164 W167 F168S131-L135 VanDerWaalsContact O-CG 3.26Å; S131-L135 WeakPolarHBondContact O-CG 3.48Å; S131-L135 PolarHBondContact O-N 3.04Å; S131-L135 VanDerWaalsContact O-N 3.09Å; R132-L135 PolarHBondContact O-N 3.07Å; N133-L135 PolarHBondContact O-N 3.33Å; L135-Q138 PolarHBondContact O-N 3.25Å; L135-F139 WeakPolarHBondContact O-CB 3.4Å; L135-F139 PolarHBondContact O-N 3.14Å; L135-M153 HydrophobicContact CD2-CB 4.18Å; L135-M153 HydrophobicContact CD2-SD 4.23Å; L135-L159 HydrophobicContact CD1-CD1 3.74Å; L135-V164 HydrophobicContact CD2-CG1 4Å; L135-V164 HydrophobicContact CD2-CG2 4.32Å; L135-W167 HydrophobicContact CB-CD2 3.81Å; L135-W167 HydrophobicContact CB-CE3 3.92Å; L135-W167 HydrophobicContact CB-CG 4.45Å; L135-W167 HydrophobicContact CB-CH2 4.04Å; L135-W167 HydrophobicContact CB-CZ2 3.86Å; L135-W167 HydrophobicContact CB-CZ3 4.05Å; L135-W167 HydrophobicContact CD1-CB 3.94Å; L135-W167 HydrophobicContact CD1-CD2 3.8Å; L135-W167 HydrophobicContact CD1-CE3 4.35Å; L135-W167 HydrophobicContact CD1-CG 3.57Å; L135-W167 HydrophobicContact CG-CD2 4.43Å; L135-W167 VanDerWaalsContact O-CH2 3.31Å; L135-W167 WeakPolarHBondContact O-CH2 3.46Å; L135-W167 WeakPolarHBondContact O-CZ3 3.16Å; L135-F168 HydrophobicContact CD2-CE2 4.02Å
136A94.2Very high89.9Confident38 Ų3876.9 Ų76.931%0.31437%0.369SS..Hα-helixtrans-65.4-44.6175.100000111.8R132 N133 Y134 F139 V140 W167R132-A136 WeakPolarHBondContact O-CB 3.09Å; R132-A136 PolarHBondContact O-N 3.47Å; N133-A136 WeakPolarHBondContact O-CB 3.45Å; N133-A136 PolarHBondContact O-N 3.3Å; N133-A136 VanDerWaalsContact O-N 3.13Å; Y134-A136 VanDerWaalsContact C-N 3.31Å; Y134-A136 PolarHBondContact O-N 2.99Å; A136-F139 WeakPolarHBondContact O-CB 3.42Å; A136-F139 PolarHBondContact O-N 2.96Å; A136-V140 WeakPolarHBondContact O-CG2 3.28Å; A136-V140 PolarHBondContact O-N 3.3Å; A136-W167 HydrophobicContact CB-CH2 4.46Å; A136-W167 HydrophobicContact CB-CZ2 4.34Å
137E95.4Very high91.1Very high112 Ų11274.1 Ų74.152%0.52337%0.365SS..Hα-helixtrans-58-48.9172.4-69165.7-168.600110.9N133 Y134 F139 V140 H141N133-E137 WeakPolarHBondContact O-CG 3.47Å; N133-E137 PolarHBondContact O-N 3.48Å; Y134-E137 PolarHBondContact O-N 3.29Å; E137-F139 VanDerWaalsContact C-N 3.26Å; E137-F139 PolarHBondContact O-N 3.31Å; E137-V140 WeakPolarHBondContact O-CB 3.5Å; E137-V140 PolarHBondContact O-N 2.69Å; E137-H141 PolarHBondContact O-CD2 3.39Å; E137-H141 PolarHBondContact O-N 2.96Å
138Q95.6Very high92.6Very high45 Ų4574.3 Ų74.321%0.2137%0.374CS..Hα-helixtrans-62.1-32.4177.9-67-55.1-70.600113.2Y134 L135 H141 N142 M153 F168Y134-Q138 HydrophobicContact CD2-CG 4.38Å; Y134-Q138 HydrophobicContact CE1-CG 4.07Å; Y134-Q138 HydrophobicContact CE2-CG 3.91Å; Y134-Q138 VanDerWaalsContact O-CG 3.31Å; Y134-Q138 WeakPolarHBondContact O-CG 3.49Å; Y134-Q138 PolarHBondContact O-N 3.14Å; L135-Q138 PolarHBondContact O-N 3.25Å; Q138-H141 PolarHBondContact O-N 3.17Å; Q138-N142 PolarHBondContact O-N 2.99Å; Q138-M153 HydrophobicContact CB-CE 3.63Å; Q138-M153 HydrophobicContact CB-SD 4.02Å; Q138-M153 HydrophobicContact CG-CE 3.91Å; Q138-M153 HydrophobicContact CG-CG 4.23Å; Q138-M153 HydrophobicContact CG-SD 4.22Å; Q138-F168 HydrophobicContact CB-CZ 4.28Å
139F95.6Very high93.5Very high19 Ų1973 Ų738%0.08337%0.37CS..Hα-helixtrans-67.2-36.3177.4-173.3-94.7000113.3L135 A136 E137 H141 N142 S143 W167 F168 R171 R172 D175L135-F139 WeakPolarHBondContact O-CB 3.4Å; L135-F139 PolarHBondContact O-N 3.14Å; A136-F139 WeakPolarHBondContact O-CB 3.42Å; A136-F139 PolarHBondContact O-N 2.96Å; E137-F139 VanDerWaalsContact C-N 3.26Å; E137-F139 PolarHBondContact O-N 3.31Å; F139-H141 VanDerWaalsContact C-N 3.3Å; F139-N142 CarbonylContact O-C 3.52Å; F139-S143 WeakPolarHBondContact CE1-OG 3.32Å; F139-S143 VanDerWaalsContact CZ-OG 3.3Å; F139-S143 WeakPolarHBondContact CZ-OG 3.4Å; F139-S143 PolarHBondContact O-N 2.92Å; F139-S143 PolarHBondContact O-OG 2.8Å; F139-S143 VanDerWaalsContact O-OG 3.08Å; F139-W167 HydrophobicContact CB-CH2 3.76Å; F139-W167 HydrophobicContact CB-CZ3 3.74Å; F139-W167 HydrophobicContact CD2-CH2 4.35Å; F139-W167 AromaticContact CD2-CZ3 3.79Å; F139-W167 HydrophobicContact CD2-CZ3 3.79Å; F139-W167 HydrophobicContact CG-CH2 4.15Å; F139-W167 HydrophobicContact CG-CZ3 4.02Å; F139-F168 HydrophobicContact CB-CE1 4.07Å; F139-F168 AromaticContact CD2-CD1 3.56Å; F139-F168 HydrophobicContact CD2-CD1 3.56Å; F139-F168 AromaticContact CD2-CE1 3.64Å; F139-F168 HydrophobicContact CD2-CE1 3.64Å; F139-F168 HydrophobicContact CE2-CD1 4.16Å; F139-F168 HydrophobicContact CG-CE1 4.33Å; F139-R171 HydrophobicContact CD1-CG 3.94Å; F139-R171 HydrophobicContact CD2-CB 4.21Å; F139-R171 HydrophobicContact CD2-CG 3.71Å; F139-R171 HydrophobicContact CE1-CG 3.73Å; F139-R171 HydrophobicContact CE2-CB 3.93Å; F139-R171 HydrophobicContact CE2-CG 3.5Å; F139-R171 HydrophobicContact CG-CG 3.93Å; F139-R171 HydrophobicContact CZ-CB 4.32Å; F139-R171 HydrophobicContact CZ-CG 3.51Å; F139-R172 HydrophobicContact CE2-CG 3.78Å; F139-R172 HydrophobicContact CZ-CG 3.99Å; F139-D175 WeakPolarHBondContact CE1-OD2 3.31Å
140V94.3Very high94.2Very high124 Ų12472.1 Ų72.175%0.75236%0.363SS*.Hα-helixtrans-63.3-40.6174.6174.80000110.1A136 E137A136-V140 WeakPolarHBondContact O-CG2 3.28Å; A136-V140 PolarHBondContact O-N 3.3Å; E137-V140 WeakPolarHBondContact O-CB 3.5Å; E137-V140 PolarHBondContact O-N 2.69Å
141H93.7Very high94.7Very high148 Ų14870.5 Ų70.569%0.68536%0.356SS*.Hα-helixtrans-69.4-47176.2-64.3-61.9000112.9E137 Q138 F139E137-H141 PolarHBondContact O-CD2 3.39Å; E137-H141 PolarHBondContact O-N 2.96Å; Q138-H141 PolarHBondContact O-N 3.17Å; F139-H141 VanDerWaalsContact C-N 3.3Å
142N94Very high95Very high52 Ų5276.1 Ų76.128%0.27838%0.38SS..  trans-150108.4-179.4-177.23.2000111Q138 F139 Y144 E149 F168Q138-N142 PolarHBondContact O-N 2.99Å; F139-N142 CarbonylContact O-C 3.52Å; N142-Y144 PolarHBondContact O-N 3.4Å; N142-Y144 VanDerWaalsContact OD1-C 3.22Å; N142-Y144 WeakPolarHBondContact OD1-CA 3.38Å; N142-Y144 PolarHBondContact OD1-N 2.96Å; N142-Y144 PolarHBondContact OD1-O 3.13Å; N142-E149 PolarHBondContact ND2-OE1 3.45Å; N142-E149 VanDerWaalsContact ND2-OE1 3.1Å; N142-E149 PolarHBondContact ND2-OE2 3.03Å; N142-F168 VanDerWaalsContact O-CE1 3.31Å; N142-F168 WeakPolarHBondContact O-CE1 3.44Å
143S94.8Very high95.3Very high39 Ų3971.6 Ų71.627%0.27336%0.363SS..SBendtrans-74.6-11.3178.2-63.70000114.3F139 P145 R172F139-S143 WeakPolarHBondContact CE1-OG 3.32Å; F139-S143 VanDerWaalsContact CZ-OG 3.3Å; F139-S143 WeakPolarHBondContact CZ-OG 3.4Å; F139-S143 PolarHBondContact O-N 2.92Å; F139-S143 PolarHBondContact O-OG 2.8Å; F139-S143 VanDerWaalsContact O-OG 3.08Å; S143-P145 VanDerWaalsContact C-CD 3.47Å; S143-R172 PolarHBondContact O-NH1 3.06Å
144Y96.6Very high95.4Very high168 Ų16868.2 Ų68.266%0.65935%0.345SS*.SBendtrans-128.563.5-179.7-67.4-95.4000111.1N142N142-Y144 PolarHBondContact O-N 3.4Å; N142-Y144 VanDerWaalsContact OD1-C 3.22Å; N142-Y144 WeakPolarHBondContact OD1-CA 3.38Å; N142-Y144 PolarHBondContact OD1-N 2.96Å; N142-Y144 PolarHBondContact OD1-O 3.13Å
145P94.7Very high95.4Very high6 Ų675.8 Ų75.84%0.03938%0.379CS..  trans-65.6141.8-179.228.7-35.4000111.5S143 E149 K150 M153 F168S143-P145 VanDerWaalsContact C-CD 3.47Å; P145-E149 WeakPolarHBondContact CA-OE2 3.45Å; P145-E149 HydrophobicContact CB-CB 3.83Å; P145-K150 HydrophobicContact CB-CG 4.2Å; P145-K150 HydrophobicContact CG-CG 3.97Å; P145-K150 WeakPolarHBondContact O-CE 3.35Å; P145-K150 PolarHBondContact O-NZ 3.39Å; P145-M153 HydrophobicContact CB-CE 4.01Å; P145-F168 VanDerWaalsContact CD-CE1 3.48Å; P145-F168 HydrophobicContact CG-CD1 3.58Å; P145-F168 HydrophobicContact CG-CD2 3.9Å; P145-F168 HydrophobicContact CG-CE1 3.52Å; P145-F168 HydrophobicContact CG-CE2 3.84Å; P145-F168 HydrophobicContact CG-CG 3.8Å; P145-F168 HydrophobicContact CG-CZ 3.68Å
146S96.1Very high95.3Very high55 Ų5582.4 Ų82.439%0.38541%0.408SS..  trans-63.5168.8170.867.60000112V148 E149 K150S146-V148 PolarHBondContact O-N 3.4Å; S146-E149 VanDerWaalsContact CB-OE2 3.23Å; S146-E149 WeakPolarHBondContact CB-OE2 3.26Å; S146-E149 PolarHBondContact N-OE2 3.13Å; S146-E149 PolarHBondContact O-N 2.88Å; S146-E149 WeakPolarHBondContact OG-CG 3.39Å; S146-E149 PolarHBondContact OG-N 3.33Å; S146-E149 PolarHBondContact OG-OE2 2.87Å; S146-K150 VanDerWaalsContact O-CG 3.32Å; S146-K150 WeakPolarHBondContact O-CG 3.39Å; S146-K150 PolarHBondContact O-N 3.43Å
147I95.4Very high95.2Very high119 Ų11981 Ų8161%0.6140%0.396SS*.Hα-helixtrans-61.3-37.1177-62.9169.4000110.9K150 K151I147-K150 PolarHBondContact O-N 3.34Å; I147-K151 HydrophobicContact CG2-CD 4.47Å; I147-K151 WeakPolarHBondContact O-CG 3.48Å; I147-K151 PolarHBondContact O-N 3.43Å
148V96.3Very high95Very high111 Ų11178.4 Ų78.467%0.67340%0.399SS*.Hα-helixtrans-66.9-47.6179.1179.80000110.8S146 K150 K151 F152S146-V148 PolarHBondContact O-N 3.4Å; V148-K150 VanDerWaalsContact C-N 3.34Å; V148-K150 PolarHBondContact O-N 3.44Å; V148-K151 WeakPolarHBondContact O-CB 3.42Å; V148-K151 PolarHBondContact O-N 2.96Å; V148-F152 PolarHBondContact O-N 3.09Å
149E96.2Very high94.8Very high72 Ų7277.8 Ų77.834%0.33640%0.397SS..Hα-helixtrans-60.4-43.4175.7-73.4164.5114.500111.4N142 P145 S146 K151 F152 M153N142-E149 PolarHBondContact ND2-OE1 3.45Å; N142-E149 VanDerWaalsContact ND2-OE1 3.1Å; N142-E149 PolarHBondContact ND2-OE2 3.03Å; P145-E149 WeakPolarHBondContact CA-OE2 3.45Å; P145-E149 HydrophobicContact CB-CB 3.83Å; S146-E149 VanDerWaalsContact CB-OE2 3.23Å; S146-E149 WeakPolarHBondContact CB-OE2 3.26Å; S146-E149 PolarHBondContact N-OE2 3.13Å; S146-E149 PolarHBondContact O-N 2.88Å; S146-E149 WeakPolarHBondContact OG-CG 3.39Å; S146-E149 PolarHBondContact OG-N 3.33Å; S146-E149 PolarHBondContact OG-OE2 2.87Å; E149-K151 VanDerWaalsContact C-N 3.34Å; E149-K151 PolarHBondContact O-N 3.12Å; E149-F152 WeakPolarHBondContact O-CB 3.4Å; E149-F152 PolarHBondContact O-N 3.44Å; E149-M153 HydrophobicContact CB-CE 4.22Å; E149-M153 VanDerWaalsContact O-CG 3.28Å; E149-M153 WeakPolarHBondContact O-CG 3.48Å; E149-M153 PolarHBondContact O-N 3.44Å
150K96.7Very high94.6Very high38 Ų3880.6 Ų80.617%0.16542%0.416CS..Hα-helixtrans-62-39.4175.5-71.2172.7-174163.10112.6P145 S146 I147 V148 F152 M153 A154 I161 V164P145-K150 HydrophobicContact CB-CG 4.2Å; P145-K150 HydrophobicContact CG-CG 3.97Å; P145-K150 WeakPolarHBondContact O-CE 3.35Å; P145-K150 PolarHBondContact O-NZ 3.39Å; S146-K150 VanDerWaalsContact O-CG 3.32Å; S146-K150 WeakPolarHBondContact O-CG 3.39Å; S146-K150 PolarHBondContact O-N 3.43Å; I147-K150 PolarHBondContact O-N 3.34Å; V148-K150 VanDerWaalsContact C-N 3.34Å; V148-K150 PolarHBondContact O-N 3.44Å; K150-F152 VanDerWaalsContact C-N 3.35Å; K150-M153 PolarHBondContact O-N 2.86Å; K150-A154 VanDerWaalsContact O-CB 3.24Å; K150-A154 WeakPolarHBondContact O-CB 3.3Å; K150-A154 PolarHBondContact O-N 3.48Å; K150-I161 HydrophobicContact CB-CG2 4.47Å; K150-V164 HydrophobicContact CB-CG1 4.2Å; K150-V164 HydrophobicContact CG-CG1 4.12Å
151K96.9Very high94.7Very high120 Ų12078.3 Ų78.352%0.52240%0.398SS..Hα-helixtrans-61.2-43.9173.8-80.4178.4177.8-174.90111.3I147 V148 E149 A154 K155 I161I147-K151 HydrophobicContact CG2-CD 4.47Å; I147-K151 WeakPolarHBondContact O-CG 3.48Å; I147-K151 PolarHBondContact O-N 3.43Å; V148-K151 WeakPolarHBondContact O-CB 3.42Å; V148-K151 PolarHBondContact O-N 2.96Å; E149-K151 VanDerWaalsContact C-N 3.34Å; E149-K151 PolarHBondContact O-N 3.12Å; K151-A154 WeakPolarHBondContact O-CB 3.27Å; K151-A154 PolarHBondContact O-N 3.36Å; K151-K155 PolarHBondContact O-N 2.88Å; K151-K155 VanDerWaalsContact O-N 3.08Å; K151-I161 HydrophobicContact CD-CD1 4.45Å; K151-I161 HydrophobicContact CG-CD1 3.57Å; K151-I161 HydrophobicContact CG-CG1 4.07Å
152F96.4Very high94.7Very high128 Ų12875.8 Ų75.856%0.56139%0.394SS*.Hα-helixtrans-63.5-46.6176.4-177.6-97.5000111.9V148 E149 K150 A154 K155 K156V148-F152 PolarHBondContact O-N 3.09Å; E149-F152 WeakPolarHBondContact O-CB 3.4Å; E149-F152 PolarHBondContact O-N 3.44Å; K150-F152 VanDerWaalsContact C-N 3.35Å; F152-A154 VanDerWaalsContact C-N 3.34Å; F152-A154 PolarHBondContact O-N 3.07Å; F152-K155 PolarHBondContact O-N 3.04Å; F152-K156 HydrophobicContact CE1-CD 4.18Å; F152-K156 HydrophobicContact CZ-CD 4.42Å; F152-K156 PolarHBondContact O-N 3.34Å
153M96.1Very high94.7Very high4 Ų478 Ų782%0.0240%0.402CS..Hα-helixtrans-61.6-40.9176.5-67.7172.7-165.400112.3Y134 L135 Q138 P145 E149 K150 K156 S157 V164 F168Y134-M153 HydrophobicContact CE1-CB 3.99Å; Y134-M153 HydrophobicContact CE1-CG 4.03Å; L135-M153 HydrophobicContact CD2-CB 4.18Å; L135-M153 HydrophobicContact CD2-SD 4.23Å; Q138-M153 HydrophobicContact CB-CE 3.63Å; Q138-M153 HydrophobicContact CB-SD 4.02Å; Q138-M153 HydrophobicContact CG-CE 3.91Å; Q138-M153 HydrophobicContact CG-CG 4.23Å; Q138-M153 HydrophobicContact CG-SD 4.22Å; P145-M153 HydrophobicContact CB-CE 4.01Å; E149-M153 HydrophobicContact CB-CE 4.22Å; E149-M153 VanDerWaalsContact O-CG 3.28Å; E149-M153 WeakPolarHBondContact O-CG 3.48Å; E149-M153 PolarHBondContact O-N 3.44Å; K150-M153 PolarHBondContact O-N 2.86Å; M153-K156 PolarHBondContact O-N 2.83Å; M153-S157 VanDerWaalsContact O-CB 3.27Å; M153-S157 WeakPolarHBondContact O-CB 3.49Å; M153-S157 PolarHBondContact O-N 3.42Å; M153-S157 PolarHBondContact O-OG 3.06Å; M153-V164 HydrophobicContact CB-CG1 4.06Å; M153-V164 HydrophobicContact CB-CG2 4.48Å; M153-V164 HydrophobicContact SD-CG1 4.24Å; M153-F168 HydrophobicContact CE-CZ 4.12Å; M153-F168 HydrophobicContact SD-CE2 3.56Å; M153-F168 VanDerWaalsContact SD-CE2 3.56Å; M153-F168 HydrophobicContact SD-CZ 3.71Å
154A95.4Very high94.7Very high7 Ų776.1 Ų76.16%0.05839%0.389CS..Hα-helixtrans-57.5-51.2175.100000111K150 K151 F152 K156 S157 G158 L159 I161 V164K150-A154 VanDerWaalsContact O-CB 3.24Å; K150-A154 WeakPolarHBondContact O-CB 3.3Å; K150-A154 PolarHBondContact O-N 3.48Å; K151-A154 WeakPolarHBondContact O-CB 3.27Å; K151-A154 PolarHBondContact O-N 3.36Å; F152-A154 VanDerWaalsContact C-N 3.34Å; F152-A154 PolarHBondContact O-N 3.07Å; A154-K156 PolarHBondContact O-N 3.47Å; A154-S157 PolarHBondContact O-N 3.33Å; A154-G158 PolarHBondContact O-N 3.24Å; A154-L159 CarbonylContact C-O 3.53Å; A154-L159 VanDerWaalsContact CA-O 3.24Å; A154-L159 WeakPolarHBondContact CA-O 3.42Å; A154-L159 WeakPolarHBondContact CB-O 3.36Å; A154-L159 PolarHBondContact O-N 3.22Å; A154-L159 VanDerWaalsContact O-N 3.14Å; A154-L159 VanDerWaalsContact O-O 3.09Å; A154-I161 HydrophobicContact CB-CG1 3.86Å; A154-V164 HydrophobicContact CB-CG2 4.04Å
155K94.4Very high94.6Very high186 Ų18670.1 Ų70.181%0.80937%0.372SS*.Hα-helixtrans-58.6-45.8177.1-173178.4179.7-179.60112.5K151 F152K151-K155 PolarHBondContact O-N 2.88Å; K151-K155 VanDerWaalsContact O-N 3.08Å; F152-K155 PolarHBondContact O-N 3.04Å
156K93.4Very high94.7Very high139 Ų13972.7 Ų72.760%0.60439%0.385SS*.Hα-helixtrans-74-31.6-176.3-174.4163.8172.1-177.30113.8Y134 F152 M153 A154Y134-K156 HydrophobicContact CE1-CB 4.33Å; Y134-K156 HydrophobicContact CE1-CG 4.44Å; Y134-K156 HydrophobicContact CE2-CD 3.8Å; Y134-K156 HydrophobicContact CE2-CG 4.3Å; F152-K156 HydrophobicContact CE1-CD 4.18Å; F152-K156 HydrophobicContact CZ-CD 4.42Å; F152-K156 PolarHBondContact O-N 3.34Å; M153-K156 PolarHBondContact O-N 2.83Å; A154-K156 PolarHBondContact O-N 3.47Å
157S91.7Very high94.6Very high10 Ų1072.1 Ų72.17%0.0738%0.375CS..Hα-helixtrans-93.9-4.9-178.5640000114.5S131 M153 A154 L159S131-S157 PolarHBondContact OG-O 2.89Å; M153-S157 VanDerWaalsContact O-CB 3.27Å; M153-S157 WeakPolarHBondContact O-CB 3.49Å; M153-S157 PolarHBondContact O-N 3.42Å; M153-S157 PolarHBondContact O-OG 3.06Å; A154-S157 PolarHBondContact O-N 3.33Å; S157-L159 PolarHBondContact O-N 3.43Å; S157-L159 WeakPolarHBondContact OG-CB 3.49Å; S157-L159 WeakPolarHBondContact OG-CG 3.46Å
158G90.1Very high94.7Very high57 Ų5766.4 Ų66.459%0.58835%0.345SS*.THydrogen-bonded Turntrans68.615.2-173.600000114A154A154-G158 PolarHBondContact O-N 3.24Å
159L91.3Very high94.6Very high32 Ų3265.5 Ų65.517%0.16833%0.332CS..  trans-96157.3178.9-63.2177.4000110.9F127 L135 A154 S157 Q163 V164F127-L159 HydrophobicContact CE1-CD2 4.48Å; L135-L159 HydrophobicContact CD1-CD1 3.74Å; A154-L159 CarbonylContact C-O 3.53Å; A154-L159 VanDerWaalsContact CA-O 3.24Å; A154-L159 WeakPolarHBondContact CA-O 3.42Å; A154-L159 WeakPolarHBondContact CB-O 3.36Å; A154-L159 PolarHBondContact O-N 3.22Å; A154-L159 VanDerWaalsContact O-N 3.14Å; A154-L159 VanDerWaalsContact O-O 3.09Å; S157-L159 PolarHBondContact O-N 3.43Å; S157-L159 WeakPolarHBondContact OG-CB 3.49Å; S157-L159 WeakPolarHBondContact OG-CG 3.46Å; L159-Q163 HydrophobicContact CB-CB 4.18Å; L159-V164 HydrophobicContact CB-CG2 3.98Å; L159-V164 HydrophobicContact CD1-CG2 4.34Å
160T92.8Very high94.5Very high77 Ų7765.6 Ų65.647%0.47234%0.335SS..  trans-72.1153.1167.464.90000110.8T162 Q163 V164T160-T162 PolarHBondContact O-N 3.2Å; T160-Q163 WeakPolarHBondContact O-CB 3.31Å; T160-Q163 PolarHBondContact O-N 3.22Å; T160-Q163 WeakPolarHBondContact OG1-CB 3.43Å; T160-Q163 VanDerWaalsContact OG1-CG 3.22Å; T160-Q163 WeakPolarHBondContact OG1-CG 3.4Å; T160-Q163 PolarHBondContact OG1-N 3.28Å; T160-Q163 PolarHBondContact OG1-OE1 2.9Å; T160-V164 PolarHBondContact O-N 3.09Å
161I94.9Very high94.4Very high76 Ų7667.6 Ų67.639%0.3934%0.342SS..Hα-helixtrans-56.1-37.5175.7-60.5162.4000110.9K150 K151 A154 V164 S165K150-I161 HydrophobicContact CB-CG2 4.47Å; K151-I161 HydrophobicContact CD-CD1 4.45Å; K151-I161 HydrophobicContact CG-CD1 3.57Å; K151-I161 HydrophobicContact CG-CG1 4.07Å; A154-I161 HydrophobicContact CB-CG1 3.86Å; I161-V164 PolarHBondContact O-N 3.08Å; I161-S165 VanDerWaalsContact O-CB 3.31Å; I161-S165 WeakPolarHBondContact O-CB 3.22Å; I161-S165 PolarHBondContact O-N 3.32Å
162T94.8Very high94.3Very high96 Ų9665.1 Ų65.159%0.58933%0.329SS*.Hα-helixtrans-63-43.3176.1-56.60000111.8T160 S165 N166T160-T162 PolarHBondContact O-N 3.2Å; T162-S165 PolarHBondContact O-N 3.32Å; T162-N166 VanDerWaalsContact O-CB 3.27Å; T162-N166 WeakPolarHBondContact O-CB 3.43Å; T162-N166 VanDerWaalsContact O-CG 3.29Å; T162-N166 PolarHBondContact O-N 2.91Å; T162-N166 PolarHBondContact O-ND2 3.04Å
163Q92.6Very high94.1Very high98 Ų9864.5 Ų64.546%0.45833%0.328SS..Hα-helixtrans-62.2-45.1175.5-76.4165.5-46.400111.5L159 T160 N166 W167L159-Q163 HydrophobicContact CB-CB 4.18Å; T160-Q163 WeakPolarHBondContact O-CB 3.31Å; T160-Q163 PolarHBondContact O-N 3.22Å; T160-Q163 WeakPolarHBondContact OG1-CB 3.43Å; T160-Q163 VanDerWaalsContact OG1-CG 3.22Å; T160-Q163 WeakPolarHBondContact OG1-CG 3.4Å; T160-Q163 PolarHBondContact OG1-N 3.28Å; T160-Q163 PolarHBondContact OG1-OE1 2.9Å; Q163-N166 PolarHBondContact O-N 3.38Å; Q163-W167 WeakPolarHBondContact O-CB 3.45Å; Q163-W167 PolarHBondContact O-N 3.02Å
164V95Very high93.8Very high0 Ų070.5 Ų70.50%035%0.35CS..Hα-helixtrans-61.8-50.5176.2176.90000110.7L135 K150 M153 A154 L159 T160 I161 N166 W167 F168L135-V164 HydrophobicContact CD2-CG1 4Å; L135-V164 HydrophobicContact CD2-CG2 4.32Å; K150-V164 HydrophobicContact CB-CG1 4.2Å; K150-V164 HydrophobicContact CG-CG1 4.12Å; M153-V164 HydrophobicContact CB-CG1 4.06Å; M153-V164 HydrophobicContact CB-CG2 4.48Å; M153-V164 HydrophobicContact SD-CG1 4.24Å; A154-V164 HydrophobicContact CB-CG2 4.04Å; L159-V164 HydrophobicContact CB-CG2 3.98Å; L159-V164 HydrophobicContact CD1-CG2 4.34Å; T160-V164 PolarHBondContact O-N 3.09Å; I161-V164 PolarHBondContact O-N 3.08Å; V164-N166 VanDerWaalsContact C-N 3.3Å; V164-N166 PolarHBondContact O-N 2.89Å; V164-W167 WeakPolarHBondContact O-CB 3.31Å; V164-W167 PolarHBondContact O-N 3.17Å; V164-W167 VanDerWaalsContact O-N 3.08Å; V164-F168 HydrophobicContact CG1-CD2 3.97Å; V164-F168 HydrophobicContact CG1-CE2 3.94Å; V164-F168 WeakPolarHBondContact O-CD2 3.39Å; V164-F168 PolarHBondContact O-N 3.46Å; V164-F168 VanDerWaalsContact O-N 3.09Å
165S95.9Very high93.4Very high41 Ų4172.7 Ų72.729%0.28736%0.361SS..Hα-helixtrans-57.2-44.4179.2-168.50000111.9I161 T162 F168 K169I161-S165 VanDerWaalsContact O-CB 3.31Å; I161-S165 WeakPolarHBondContact O-CB 3.22Å; I161-S165 PolarHBondContact O-N 3.32Å; T162-S165 PolarHBondContact O-N 3.32Å; S165-F168 PolarHBondContact O-N 3.44Å; S165-K169 WeakPolarHBondContact O-CB 3.48Å; S165-K169 PolarHBondContact O-N 3.45Å
166N95.3Very high93.1Very high61 Ų6170.7 Ų70.733%0.32635%0.352SS..Hα-helixtrans-66.4-37.2176.5-77.3-30.4000112.6T162 Q163 V164 K169 N170T162-N166 VanDerWaalsContact O-CB 3.27Å; T162-N166 WeakPolarHBondContact O-CB 3.43Å; T162-N166 VanDerWaalsContact O-CG 3.29Å; T162-N166 PolarHBondContact O-N 2.91Å; T162-N166 PolarHBondContact O-ND2 3.04Å; Q163-N166 PolarHBondContact O-N 3.38Å; V164-N166 VanDerWaalsContact C-N 3.3Å; V164-N166 PolarHBondContact O-N 2.89Å; N166-K169 PolarHBondContact O-N 3.03Å; N166-K169 PolarHBondContact OD1-NZ 2.91Å; N166-N170 VanDerWaalsContact O-CB 3.28Å; N166-N170 WeakPolarHBondContact O-CB 3.27Å; N166-N170 PolarHBondContact O-N 2.64Å; N166-N170 PolarHBondContact O-ND2 3.45Å; N166-N170 PolarHBondContact O-OD1 3.39Å
167W95Very high92.7Very high42 Ų4267.4 Ų67.416%0.15934%0.344CS..Hα-helixtrans-60.1-48.3176.3-174.3103.9000111.2L135 A136 F139 Q163 V164 N170 R171L135-W167 HydrophobicContact CB-CD2 3.81Å; L135-W167 HydrophobicContact CB-CE3 3.92Å; L135-W167 HydrophobicContact CB-CG 4.45Å; L135-W167 HydrophobicContact CB-CH2 4.04Å; L135-W167 HydrophobicContact CB-CZ2 3.86Å; L135-W167 HydrophobicContact CB-CZ3 4.05Å; L135-W167 HydrophobicContact CD1-CB 3.94Å; L135-W167 HydrophobicContact CD1-CD2 3.8Å; L135-W167 HydrophobicContact CD1-CE3 4.35Å; L135-W167 HydrophobicContact CD1-CG 3.57Å; L135-W167 HydrophobicContact CG-CD2 4.43Å; L135-W167 VanDerWaalsContact O-CH2 3.31Å; L135-W167 WeakPolarHBondContact O-CH2 3.46Å; L135-W167 WeakPolarHBondContact O-CZ3 3.16Å; A136-W167 HydrophobicContact CB-CH2 4.46Å; A136-W167 HydrophobicContact CB-CZ2 4.34Å; F139-W167 HydrophobicContact CB-CH2 3.76Å; F139-W167 HydrophobicContact CB-CZ3 3.74Å; F139-W167 HydrophobicContact CD2-CH2 4.35Å; F139-W167 AromaticContact CD2-CZ3 3.79Å; F139-W167 HydrophobicContact CD2-CZ3 3.79Å; F139-W167 HydrophobicContact CG-CH2 4.15Å; F139-W167 HydrophobicContact CG-CZ3 4.02Å; Q163-W167 WeakPolarHBondContact O-CB 3.45Å; Q163-W167 PolarHBondContact O-N 3.02Å; V164-W167 WeakPolarHBondContact O-CB 3.31Å; V164-W167 PolarHBondContact O-N 3.17Å; V164-W167 VanDerWaalsContact O-N 3.08Å; W167-N170 PolarHBondContact O-N 2.92Å; W167-R171 HydrophobicContact CE3-CB 4.29Å; W167-R171 HydrophobicContact CH2-CB 4.22Å; W167-R171 HydrophobicContact CH2-CG 4Å; W167-R171 HydrophobicContact CZ3-CB 4Å; W167-R171 HydrophobicContact CZ3-CG 4.13Å; W167-R171 WeakPolarHBondContact O-CB 3.45Å; W167-R171 PolarHBondContact O-N 2.99Å
168F96.6Very high92.2Very high0 Ų071.6 Ų71.60%037%0.365CS..Hα-helixtrans-63.8-44.2178.4-86.1-90.8000112.1L135 Q138 F139 N142 P145 M153 V164 S165 N170 R171 R172L135-F168 HydrophobicContact CD2-CE2 4.02Å; Q138-F168 HydrophobicContact CB-CZ 4.28Å; F139-F168 HydrophobicContact CB-CE1 4.07Å; F139-F168 AromaticContact CD2-CD1 3.56Å; F139-F168 HydrophobicContact CD2-CD1 3.56Å; F139-F168 AromaticContact CD2-CE1 3.64Å; F139-F168 HydrophobicContact CD2-CE1 3.64Å; F139-F168 HydrophobicContact CE2-CD1 4.16Å; F139-F168 HydrophobicContact CG-CE1 4.33Å; N142-F168 VanDerWaalsContact O-CE1 3.31Å; N142-F168 WeakPolarHBondContact O-CE1 3.44Å; P145-F168 VanDerWaalsContact CD-CE1 3.48Å; P145-F168 HydrophobicContact CG-CD1 3.58Å; P145-F168 HydrophobicContact CG-CD2 3.9Å; P145-F168 HydrophobicContact CG-CE1 3.52Å; P145-F168 HydrophobicContact CG-CE2 3.84Å; P145-F168 HydrophobicContact CG-CG 3.8Å; P145-F168 HydrophobicContact CG-CZ 3.68Å; M153-F168 HydrophobicContact CE-CZ 4.12Å; M153-F168 HydrophobicContact SD-CE2 3.56Å; M153-F168 VanDerWaalsContact SD-CE2 3.56Å; M153-F168 HydrophobicContact SD-CZ 3.71Å; V164-F168 HydrophobicContact CG1-CD2 3.97Å; V164-F168 HydrophobicContact CG1-CE2 3.94Å; V164-F168 WeakPolarHBondContact O-CD2 3.39Å; V164-F168 PolarHBondContact O-N 3.46Å; V164-F168 VanDerWaalsContact O-N 3.09Å; S165-F168 PolarHBondContact O-N 3.44Å; F168-N170 PolarHBondContact O-N 3.09Å; F168-R171 PolarHBondContact O-N 3.42Å; F168-R172 WeakPolarHBondContact O-CG 3.24Å; F168-R172 PolarHBondContact O-N 3.14Å
169K95.1Very high91.7Very high91 Ų9171.6 Ų71.640%0.39636%0.356SS..Hα-helixtrans-57-49.6175.2-176.4-17872.2-166.30111.3S165 N166 Q173S165-K169 WeakPolarHBondContact O-CB 3.48Å; S165-K169 PolarHBondContact O-N 3.45Å; N166-K169 PolarHBondContact O-N 3.03Å; N166-K169 PolarHBondContact OD1-NZ 2.91Å; K169-Q173 WeakPolarHBondContact O-CG 3.31Å; K169-Q173 PolarHBondContact O-N 3.08Å
170N94.2Very high91Very high74 Ų7473.7 Ų73.740%0.39637%0.367SS..Hα-helixtrans-69.2-33.7-178.8-67.2-7.9000112.1N166 W167 F168 R174N166-N170 VanDerWaalsContact O-CB 3.28Å; N166-N170 WeakPolarHBondContact O-CB 3.27Å; N166-N170 PolarHBondContact O-N 2.64Å; N166-N170 PolarHBondContact O-ND2 3.45Å; N166-N170 PolarHBondContact O-OD1 3.39Å; W167-N170 PolarHBondContact O-N 2.92Å; F168-N170 PolarHBondContact O-N 3.09Å; N170-R174 WeakPolarHBondContact O-CG 3.32Å; N170-R174 PolarHBondContact O-N 3.46Å
171R94.1Very high89.9Confident81 Ų8177.3 Ų77.331%0.30638%0.377SS..Hα-helixtrans-63.8-51.1175-178.154.7165.8158.8-11.6111.3F139 W167 F168 Q173 R174 D175F139-R171 HydrophobicContact CD1-CG 3.94Å; F139-R171 HydrophobicContact CD2-CB 4.21Å; F139-R171 HydrophobicContact CD2-CG 3.71Å; F139-R171 HydrophobicContact CE1-CG 3.73Å; F139-R171 HydrophobicContact CE2-CB 3.93Å; F139-R171 HydrophobicContact CE2-CG 3.5Å; F139-R171 HydrophobicContact CG-CG 3.93Å; F139-R171 HydrophobicContact CZ-CB 4.32Å; F139-R171 HydrophobicContact CZ-CG 3.51Å; W167-R171 HydrophobicContact CE3-CB 4.29Å; W167-R171 HydrophobicContact CH2-CB 4.22Å; W167-R171 HydrophobicContact CH2-CG 4Å; W167-R171 HydrophobicContact CZ3-CB 4Å; W167-R171 HydrophobicContact CZ3-CG 4.13Å; W167-R171 WeakPolarHBondContact O-CB 3.45Å; W167-R171 PolarHBondContact O-N 2.99Å; F168-R171 PolarHBondContact O-N 3.42Å; R171-Q173 VanDerWaalsContact C-N 3.31Å; R171-Q173 PolarHBondContact O-N 2.86Å; R171-R174 WeakPolarHBondContact O-CB 3.12Å; R171-R174 PolarHBondContact O-N 3.32Å; R171-R174 VanDerWaalsContact O-N 3.13Å; R171-D175 IonicContact CZ-OD1 3.75Å; R171-D175 IonicContact CZ-OD2 2.92Å; R171-D175 IonicContact NE-OD1 3.72Å; R171-D175 IonicContact NE-OD2 2.92Å; R171-D175 IonicContact NH1-OD1 3.94Å; R171-D175 PolarHBondContact NH1-OD1 2.91Å; R171-D175 PolarHBondContact O-N 3.36Å
172R94.9Very high88.7Confident67 Ų6781.7 Ų81.725%0.25339%0.393SS..Hα-helixtrans-59.7-39.7175.7-66.9-165.6-58.6-85.9-2.1113F139 S143 F168 D175 K176F139-R172 HydrophobicContact CE2-CG 3.78Å; F139-R172 HydrophobicContact CZ-CG 3.99Å; S143-R172 PolarHBondContact O-NH1 3.06Å; F168-R172 WeakPolarHBondContact O-CG 3.24Å; F168-R172 PolarHBondContact O-N 3.14Å; R172-D175 PolarHBondContact O-N 2.94Å; R172-K176 WeakPolarHBondContact O-CB 3.28Å; R172-K176 PolarHBondContact O-N 2.84Å
173Q92.3Very high87.5Confident116 Ų11682.1 Ų82.154%0.54240%0.395SS..Hα-helixtrans-61.2-44.9175.1-77.7-178.2-17.100111.9K169 R171 K176 T177K169-Q173 WeakPolarHBondContact O-CG 3.31Å; K169-Q173 PolarHBondContact O-N 3.08Å; R171-Q173 VanDerWaalsContact C-N 3.31Å; R171-Q173 PolarHBondContact O-N 2.86Å; Q173-K176 PolarHBondContact O-N 3.2Å; Q173-T177 WeakPolarHBondContact O-CG2 3.24Å; Q173-T177 PolarHBondContact O-N 2.88Å; Q173-T177 PolarHBondContact O-OG1 3.42Å
174R89.2Confident86Confident130 Ų13087.6 Ų87.649%0.49141%0.412SS..Hα-helixtrans-60.5-45.7175.7-75.3-174.4-66.2179.51.8111.8N170 R171 K176 T177 L178N170-R174 WeakPolarHBondContact O-CG 3.32Å; N170-R174 PolarHBondContact O-N 3.46Å; R171-R174 WeakPolarHBondContact O-CB 3.12Å; R171-R174 PolarHBondContact O-N 3.32Å; R171-R174 VanDerWaalsContact O-N 3.13Å; R174-K176 PolarHBondContact O-N 3.33Å; R174-T177 WeakPolarHBondContact CA-OG1 3.47Å; R174-T177 PolarHBondContact O-N 3.44Å; R174-T177 PolarHBondContact O-OG1 3.19Å; R174-L178 VanDerWaalsContact O-CG 3.32Å; R174-L178 WeakPolarHBondContact O-CG 3.5Å; R174-L178 PolarHBondContact O-N 2.86Å
175D88.7Confident83.9Confident52 Ų5290.8 Ų90.828%0.27845%0.445SS..Hα-helixtrans-66.1-38.8-178.1-61.6-8.8000111.5F139 R171 R172 L178 S179F139-D175 WeakPolarHBondContact CE1-OD2 3.31Å; R171-D175 IonicContact CZ-OD1 3.75Å; R171-D175 IonicContact CZ-OD2 2.92Å; R171-D175 IonicContact NE-OD1 3.72Å; R171-D175 IonicContact NE-OD2 2.92Å; R171-D175 IonicContact NH1-OD1 3.94Å; R171-D175 PolarHBondContact NH1-OD1 2.91Å; R171-D175 PolarHBondContact O-N 3.36Å; R172-D175 PolarHBondContact O-N 2.94Å; D175-L178 PolarHBondContact O-N 3.3Å; D175-S179 PolarHBondContact O-N 3.08Å; D175-S179 PolarHBondContact O-OG 3.44Å
176K88.1Confident81.2Confident145 Ų14593.4 Ų93.463%0.6346%0.462SS*.Hα-helixtrans-63.8-39.4171.7-175177.1-179.2176.60112.8R172 Q173 R174 S179 N180R172-K176 WeakPolarHBondContact O-CB 3.28Å; R172-K176 PolarHBondContact O-N 2.84Å; Q173-K176 PolarHBondContact O-N 3.2Å; R174-K176 PolarHBondContact O-N 3.33Å; K176-S179 PolarHBondContact O-OG 3.43Å; K176-N180 WeakPolarHBondContact O-CB 3.5Å; K176-N180 PolarHBondContact O-N 3.38Å; K176-N180 VanDerWaalsContact O-N 3.14Å; K176-N180 PolarHBondContact O-OD1 3.5Å
177T84.5Confident78.5Confident70 Ų70103.1 Ų103.143%0.42951%0.505SS..Hα-helixtrans-66.2-41.2175.253.50000111.4Q173 R174 N180 F181Q173-T177 WeakPolarHBondContact O-CG2 3.24Å; Q173-T177 PolarHBondContact O-N 2.88Å; Q173-T177 PolarHBondContact O-OG1 3.42Å; R174-T177 WeakPolarHBondContact CA-OG1 3.47Å; R174-T177 PolarHBondContact O-N 3.44Å; R174-T177 PolarHBondContact O-OG1 3.19Å; T177-N180 PolarHBondContact O-N 3.1Å; T177-F181 WeakPolarHBondContact O-CD2 3.44Å; T177-F181 PolarHBondContact O-N 2.7Å
178L81.5Confident77.6Confident98 Ų98106.2 Ų106.251%0.51352%0.522SS..Hα-helixtrans-64.4-40.3178.2-71.5167.7000112.1R174 D175 F181 K182R174-L178 VanDerWaalsContact O-CG 3.32Å; R174-L178 WeakPolarHBondContact O-CG 3.5Å; R174-L178 PolarHBondContact O-N 2.86Å; D175-L178 PolarHBondContact O-N 3.3Å; L178-F181 PolarHBondContact O-N 3.45Å; L178-K182 WeakPolarHBondContact O-CG 3.4Å; L178-K182 PolarHBondContact O-N 2.67Å; L178-K182 VanDerWaalsContact O-N 3.14Å
179S79.6Confident76.6Confident56 Ų56111.7 Ų111.739%0.39255%0.55SS..Hα-helixtrans-63.1-42.3173.763.20000111.8D175 K176 F181 K182 T183D175-S179 PolarHBondContact O-N 3.08Å; D175-S179 PolarHBondContact O-OG 3.44Å; K176-S179 PolarHBondContact O-OG 3.43Å; S179-F181 PolarHBondContact O-N 2.98Å; S179-K182 PolarHBondContact O-N 3.26Å; S179-T183 WeakPolarHBondContact O-CG2 3.41Å; S179-T183 PolarHBondContact O-N 3.18Å; S179-T183 VanDerWaalsContact O-N 3.07Å; S179-T183 PolarHBondContact O-OG1 2.96Å
180N75.3Confident75.6Confident76 Ų76112.9 Ų112.941%0.40656%0.558SS.*Hα-helixtrans-68.1-31.9179.5-71.4-3.3000113.7K176 T177 T183 R184K176-N180 WeakPolarHBondContact O-CB 3.5Å; K176-N180 PolarHBondContact O-N 3.38Å; K176-N180 VanDerWaalsContact O-N 3.14Å; K176-N180 PolarHBondContact O-OD1 3.5Å; T177-N180 PolarHBondContact O-N 3.1Å; N180-T183 WeakPolarHBondContact CA-OG1 3.37Å; N180-T183 PolarHBondContact O-OG1 3.43Å; N180-R184 WeakPolarHBondContact O-CG 3.23Å; N180-R184 PolarHBondContact O-N 3.48Å
181F71.1Confident74.5Confident153 Ų153115.2 Ų115.267%0.67157%0.568SS**Hα-helixtrans-71.1-39.7173.1-81.5-70.1000111.4T177 L178 S179 T183 R184 G185T177-F181 WeakPolarHBondContact O-CD2 3.44Å; T177-F181 PolarHBondContact O-N 2.7Å; L178-F181 PolarHBondContact O-N 3.45Å; S179-F181 PolarHBondContact O-N 2.98Å; F181-T183 VanDerWaalsContact C-N 3.32Å; F181-T183 PolarHBondContact O-N 3.4Å; F181-R184 PolarHBondContact O-N 3.37Å; F181-G185 PolarHBondContact O-N 2.97Å
182K70Confident73.3Confident169 Ų169117.3 Ų117.374%0.73558%0.584SS**Hα-helixtrans-62.4-37.5175.6-74.1-177.8177.3-172.30112.5L178 S179L178-K182 WeakPolarHBondContact O-CG 3.4Å; L178-K182 PolarHBondContact O-N 2.67Å; L178-K182 VanDerWaalsContact O-N 3.14Å; S179-K182 PolarHBondContact O-N 3.26Å
183T69.6Low71.8Confident104 Ų104120.7 Ų120.764%0.63861%0.606SS**Hα-helixtrans-74.2-26.2177.755.40000113.6S179 N180 F181S179-T183 WeakPolarHBondContact O-CG2 3.41Å; S179-T183 PolarHBondContact O-N 3.18Å; S179-T183 VanDerWaalsContact O-N 3.07Å; S179-T183 PolarHBondContact O-OG1 2.96Å; N180-T183 WeakPolarHBondContact CA-OG1 3.37Å; N180-T183 PolarHBondContact O-OG1 3.43Å; F181-T183 VanDerWaalsContact C-N 3.32Å; F181-T183 PolarHBondContact O-N 3.4Å
184R61.1Low70.4Confident214 Ų214121 Ų12181%0.80861%0.611SS**Hα-helixtrans-90.3-16.1177.3-72-178.7174.9174.7-2.8114.5N180 F181N180-R184 WeakPolarHBondContact O-CG 3.23Å; N180-R184 PolarHBondContact O-N 3.48Å; F181-R184 PolarHBondContact O-N 3.37Å
185G49.1Very low68.9Low66 Ų66120.3 Ų120.368%0.6862%0.62SS**SBendtrans-87.92.8179.400000115F181F181-G185 PolarHBondContact O-N 2.97Å
186C39.5Very low67.3Low97 Ų97126 Ų12666%0.65565%0.648SS**  trans-104.588165.9-89.80000108.6
187H38.1Very low65.4Low264 Ų264124.3 Ų124.3100%1.22265%0.65SS**  trans169.10139.3-87.6-54.6000109.5

Retrieved 187 of 187 residues in 145.3 ms (Link to these results)

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