A0A096MFA1_POEFO Loading...

FES proto-oncogene, tyrosine kinase

AlphaFold DB , UniProt , Accession A0A096MFA1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 144 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
1M50.8Low65.4Low218 Ų218110.4 Ų110.4100%1.07458%0.578SS**  086.10-70.3-149.1-102.900109E5M1-E5 PolarHBondContact N-OE2 3.33Å
2G64.8Low67Low37 Ų37101.9 Ų101.938%0.38154%0.536SS..  trans-145.6150.7175.600000107.8G4 E5G2-G4 PolarHBondContact O-N 2.69Å; G2-E5 PolarHBondContact O-N 3.46Å
3F62.9Low68.6Low136 Ų13696.4 Ų96.460%0.59651%0.505SS*.Hα-helixtrans-48.2-29.6-179.2-75.1-56.9000113.4E5 L7 V16 L19F3-E5 PolarHBondContact O-N 2.9Å; F3-L7 HydrophobicContact CB-CD1 3.54Å; F3-L7 HydrophobicContact CB-CG 4.09Å; F3-L7 HydrophobicContact CD1-CD1 3.4Å; F3-L7 VanDerWaalsContact CD1-CD1 3.4Å; F3-L7 HydrophobicContact CD1-CD2 4.12Å; F3-L7 HydrophobicContact CD1-CG 3.85Å; F3-L7 HydrophobicContact CE1-CD1 4.36Å; F3-L7 HydrophobicContact CG-CD1 3.81Å; F3-L7 HydrophobicContact CG-CG 4.46Å; F3-L7 WeakPolarHBondContact O-CB 3.45Å; F3-L7 WeakPolarHBondContact O-CG 3.43Å; F3-L7 PolarHBondContact O-N 3.37Å; F3-L7 VanDerWaalsContact O-N 3.09Å; F3-V16 HydrophobicContact CD1-CG2 4.47Å; F3-V16 HydrophobicContact CE1-CG2 4.47Å; F3-L19 HydrophobicContact CZ-CD2 4.19Å
4G59.4Low70.1Confident60 Ų6092.9 Ų92.962%0.61950%0.497SS*.Hα-helixtrans-69-22.6177.900000116.8G2G2-G4 PolarHBondContact O-N 2.69Å
5E60.1Low71.5Confident137 Ų13789.3 Ų89.364%0.6449%0.485SS*.Hα-helixtrans-91.4-38.9179.8-67.3178.9149.500111.3M1 G2 F3M1-E5 PolarHBondContact N-OE2 3.33Å; G2-E5 PolarHBondContact O-N 3.46Å; F3-E5 PolarHBondContact O-N 2.9Å
6D58.8Low72.7Confident112 Ų11284.9 Ų84.960%0.59946%0.462SS*.Hα-helixtrans-92.9-17.3-173.4-59.2-44.9000113.9
7L59.3Low74Confident33 Ų3381.1 Ų81.117%0.17344%0.441CS..  trans-102.519.3-168.5-60-175.8000117.4F3 C9 A12 V16F3-L7 HydrophobicContact CB-CD1 3.54Å; F3-L7 HydrophobicContact CB-CG 4.09Å; F3-L7 HydrophobicContact CD1-CD1 3.4Å; F3-L7 VanDerWaalsContact CD1-CD1 3.4Å; F3-L7 HydrophobicContact CD1-CD2 4.12Å; F3-L7 HydrophobicContact CD1-CG 3.85Å; F3-L7 HydrophobicContact CE1-CD1 4.36Å; F3-L7 HydrophobicContact CG-CD1 3.81Å; F3-L7 HydrophobicContact CG-CG 4.46Å; F3-L7 WeakPolarHBondContact O-CB 3.45Å; F3-L7 WeakPolarHBondContact O-CG 3.43Å; F3-L7 PolarHBondContact O-N 3.37Å; F3-L7 VanDerWaalsContact O-N 3.09Å; L7-C9 PolarHBondContact O-N 3.48Å; L7-A12 HydrophobicContact CB-CB 3.54Å; L7-A12 HydrophobicContact CD2-CB 3.27Å; L7-A12 HydrophobicContact CG-CB 3.92Å; L7-A12 WeakPolarHBondContact O-CB 3.33Å; L7-V16 HydrophobicContact CD1-CG2 3.26Å; L7-V16 HydrophobicContact CD2-CG2 4.26Å; L7-V16 HydrophobicContact CG-CG2 4.43Å
8R66.1Low75.2Confident216 Ų21686.6 Ų86.682%0.81545%0.454SS*.  trans-71.77-176.4-62.3-175.9-175.6178.31.5114.8
9C75.1Confident76.2Confident42 Ų4285.9 Ų85.928%0.28445%0.45SS..SBendtrans-114.5159-17871.60000113.2L7 Q11 A12 H13L7-C9 PolarHBondContact O-N 3.48Å; C9-Q11 VanDerWaalsContact C-N 3.25Å; C9-Q11 PolarHBondContact O-N 2.92Å; C9-Q11 PolarHBondContact SG-OE1 3.43Å; C9-A12 WeakPolarHBondContact O-CB 3.34Å; C9-A12 PolarHBondContact O-N 3.41Å; C9-A12 VanDerWaalsContact SG-CB 3.52Å; C9-A12 PolarHBondContact SG-N 3.2Å; C9-A12 VanDerWaalsContact SG-N 3.41Å; C9-H13 PolarHBondContact O-N 2.97Å
10P79.1Confident77.2Confident72 Ų7282.6 Ų82.647%0.46843%0.433SS..Hα-helixtrans-59.3-31.9175.3-25.535.1000114.4A12 H13 A14P10-A12 VanDerWaalsContact C-N 3.29Å; P10-A12 PolarHBondContact O-N 3.34Å; P10-H13 PolarHBondContact O-N 2.94Å; P10-A14 PolarHBondContact O-N 3.45Å
11Q83.6Confident78.1Confident151 Ų15181.7 Ų81.771%0.70643%0.429SS*.Hα-helixtrans-65.2-37.6177.9-65.3121.2-12.400111.5C9 A14 A15C9-Q11 VanDerWaalsContact C-N 3.25Å; C9-Q11 PolarHBondContact O-N 2.92Å; C9-Q11 PolarHBondContact SG-OE1 3.43Å; Q11-A14 PolarHBondContact O-N 2.91Å; Q11-A15 PolarHBondContact O-N 2.71Å
12A84Confident80.4Confident9 Ų974.4 Ų74.47%0.07440%0.399CS..Hα-helixtrans-66.6-41.9177.500000112.8L7 C9 P10 A14 A15 V16L7-A12 HydrophobicContact CB-CB 3.54Å; L7-A12 HydrophobicContact CD2-CB 3.27Å; L7-A12 HydrophobicContact CG-CB 3.92Å; L7-A12 WeakPolarHBondContact O-CB 3.33Å; C9-A12 WeakPolarHBondContact O-CB 3.34Å; C9-A12 PolarHBondContact O-N 3.41Å; C9-A12 VanDerWaalsContact SG-CB 3.52Å; C9-A12 PolarHBondContact SG-N 3.2Å; C9-A12 VanDerWaalsContact SG-N 3.41Å; P10-A12 VanDerWaalsContact C-N 3.29Å; P10-A12 PolarHBondContact O-N 3.34Å; A12-A14 VanDerWaalsContact C-N 3.32Å; A12-A14 PolarHBondContact O-N 3.18Å; A12-A15 WeakPolarHBondContact O-CB 3.47Å; A12-A15 PolarHBondContact O-N 3.37Å; A12-V16 PolarHBondContact O-N 3.09Å
13H88.2Confident82Confident30 Ų3076.1 Ų76.114%0.13940%0.397CS..Hα-helixtrans-56.7-47.3170.7171.576.2000111.6C9 P10 A15 V16 M17 Y120 W124C9-H13 PolarHBondContact O-N 2.97Å; P10-H13 PolarHBondContact O-N 2.94Å; H13-A15 VanDerWaalsContact C-N 3.29Å; H13-A15 PolarHBondContact O-N 2.96Å; H13-V16 PolarHBondContact O-N 3.46Å; H13-M17 WeakPolarHBondContact O-CG 3.48Å; H13-M17 PolarHBondContact O-N 2.97Å; H13-Y120 AromaticContact CE1-CE1 3.62Å; H13-Y120 AromaticContact ND1-CE1 3.36Å; H13-Y120 WeakPolarHBondContact ND1-CE1 3.48Å; H13-Y120 AromaticContact ND1-CZ 3.62Å; H13-Y120 PolarHBondContact ND1-OH 3.41Å; H13-W124 HydrophobicContact CB-CD2 3.86Å; H13-W124 VanDerWaalsContact CB-CE2 3.47Å; H13-W124 HydrophobicContact CB-CE3 4.22Å; H13-W124 HydrophobicContact CB-CG 4.46Å; H13-W124 HydrophobicContact CB-CH2 3.9Å; H13-W124 HydrophobicContact CB-CZ2 3.52Å; H13-W124 HydrophobicContact CB-CZ3 4.23Å; H13-W124 AromaticContact CD2-CD1 3.66Å; H13-W124 AromaticContact CD2-NE1 3.54Å; H13-W124 AromaticContact CE1-CD1 3.4Å; H13-W124 VanDerWaalsContact CE1-CD1 3.4Å; H13-W124 AromaticContact CE1-CG 3.45Å; H13-W124 VanDerWaalsContact CE1-CG 3.45Å; H13-W124 AromaticContact CG-CD1 3.59Å; H13-W124 AromaticContact CG-CD2 3.65Å; H13-W124 AromaticContact CG-CE2 3.49Å; H13-W124 VanDerWaalsContact CG-CE2 3.49Å; H13-W124 AromaticContact CG-CG 3.74Å; H13-W124 AromaticContact CG-NE1 3.41Å; H13-W124 AromaticContact ND1-CD1 3.44Å; H13-W124 AromaticContact ND1-CD2 3.44Å; H13-W124 AromaticContact ND1-CE2 3.8Å; H13-W124 AromaticContact ND1-CG 3.22Å; H13-W124 AromaticContact ND1-NE1 3.75Å; H13-W124 AromaticContact NE2-CD1 3.54Å; H13-W124 AromaticContact NE2-NE1 3.93Å
14A89.8Confident83.7Confident47 Ų4770.5 Ų70.539%0.38837%0.373SS..Hα-helixtrans-62.3-35.2177.400000112.7P10 Q11 A12 R18P10-A14 PolarHBondContact O-N 3.45Å; Q11-A14 PolarHBondContact O-N 2.91Å; A12-A14 VanDerWaalsContact C-N 3.32Å; A12-A14 PolarHBondContact O-N 3.18Å; A14-R18 WeakPolarHBondContact O-CG 3.01Å; A14-R18 PolarHBondContact O-N 3.35Å; A14-R18 VanDerWaalsContact O-N 3.11Å
15A90.3Very high85.5Confident39 Ų3973.4 Ų73.432%0.32237%0.371SS..Hα-helixtrans-64.4-45.417400000112Q11 A12 H13 M17 R18 L19Q11-A15 PolarHBondContact O-N 2.71Å; A12-A15 WeakPolarHBondContact O-CB 3.47Å; A12-A15 PolarHBondContact O-N 3.37Å; H13-A15 VanDerWaalsContact C-N 3.29Å; H13-A15 PolarHBondContact O-N 2.96Å; A15-M17 PolarHBondContact O-N 3.42Å; A15-R18 PolarHBondContact O-N 2.91Å; A15-L19 PolarHBondContact O-N 2.75Å
16V91.3Very high87.4Confident19 Ų1971.6 Ų71.612%0.11537%0.365CS..Hα-helixtrans-61.9-43.7175.9172.80000111.6F3 L7 A12 H13 R18 L19 L20 Y120F3-V16 HydrophobicContact CD1-CG2 4.47Å; F3-V16 HydrophobicContact CE1-CG2 4.47Å; L7-V16 HydrophobicContact CD1-CG2 3.26Å; L7-V16 HydrophobicContact CD2-CG2 4.26Å; L7-V16 HydrophobicContact CG-CG2 4.43Å; A12-V16 PolarHBondContact O-N 3.09Å; H13-V16 PolarHBondContact O-N 3.46Å; V16-R18 VanDerWaalsContact C-N 3.33Å; V16-R18 PolarHBondContact O-N 3.36Å; V16-L19 WeakPolarHBondContact O-CB 3.4Å; V16-L19 PolarHBondContact O-N 2.98Å; V16-L20 HydrophobicContact CG1-CD1 4.03Å; V16-L20 HydrophobicContact CG1-CG 4.34Å; V16-L20 WeakPolarHBondContact O-CG 3.37Å; V16-L20 PolarHBondContact O-N 3.34Å; V16-Y120 HydrophobicContact CB-CE1 4.16Å; V16-Y120 HydrophobicContact CG1-CD1 4.29Å; V16-Y120 HydrophobicContact CG1-CE1 3.63Å; V16-Y120 HydrophobicContact CG1-CE2 4.47Å
17M94.5Very high89.3Confident21 Ų2167.4 Ų67.410%0.10334%0.342CS..Hα-helixtrans-59.8-44.6178.1-69.6-58-62.500111.6H13 A15 L19 L20 D21 R117 Y120 A121H13-M17 WeakPolarHBondContact O-CG 3.48Å; H13-M17 PolarHBondContact O-N 2.97Å; A15-M17 PolarHBondContact O-N 3.42Å; M17-L19 VanDerWaalsContact C-N 3.33Å; M17-L19 PolarHBondContact O-N 3.48Å; M17-L20 PolarHBondContact O-N 2.97Å; M17-D21 WeakPolarHBondContact O-CB 3.23Å; M17-D21 PolarHBondContact O-N 2.92Å; M17-R117 HydrophobicContact CE-CG 3.82Å; M17-R117 HydrophobicContact SD-CG 4.5Å; M17-Y120 HydrophobicContact CG-CE1 4.32Å; M17-Y120 HydrophobicContact SD-CD1 3.62Å; M17-Y120 HydrophobicContact SD-CE1 3.78Å; M17-A121 HydrophobicContact CE-CB 4.12Å; M17-A121 HydrophobicContact SD-CB 4.22Å
18R95.1Very high91.1Very high180 Ų18068.9 Ų68.968%0.67935%0.348SS*.Hα-helixtrans-62.9-37.8175.7-73.6-172-62.3158.51112.9A14 A15 V16 D21 S22A14-R18 WeakPolarHBondContact O-CG 3.01Å; A14-R18 PolarHBondContact O-N 3.35Å; A14-R18 VanDerWaalsContact O-N 3.11Å; A15-R18 PolarHBondContact O-N 2.91Å; V16-R18 VanDerWaalsContact C-N 3.33Å; V16-R18 PolarHBondContact O-N 3.36Å; R18-D21 PolarHBondContact O-N 3.19Å; R18-S22 WeakPolarHBondContact O-CB 3.09Å; R18-S22 PolarHBondContact O-N 3.4Å; R18-S22 PolarHBondContact O-OG 3.18Å
19L94.3Very high92.7Very high73 Ų7362.7 Ų62.738%0.38233%0.33SS..Hα-helixtrans-64.2-47.4175.5177.263.7000111.3F3 A15 V16 M17 D21 S22 E23F3-L19 HydrophobicContact CZ-CD2 4.19Å; A15-L19 PolarHBondContact O-N 2.75Å; V16-L19 WeakPolarHBondContact O-CB 3.4Å; V16-L19 PolarHBondContact O-N 2.98Å; M17-L19 VanDerWaalsContact C-N 3.33Å; M17-L19 PolarHBondContact O-N 3.48Å; L19-D21 VanDerWaalsContact C-N 3.27Å; L19-D21 PolarHBondContact O-N 3.2Å; L19-S22 PolarHBondContact O-N 3.24Å; L19-S22 PolarHBondContact O-OG 3.28Å; L19-E23 HydrophobicContact CD1-CG 4.13Å; L19-E23 WeakPolarHBondContact O-CG 3.46Å; L19-E23 PolarHBondContact O-N 3.07Å
20L95.8Very high93.8Very high19 Ų1964.8 Ų64.810%0.09934%0.337CS..Hα-helixtrans-60.3-40.1177.4-69.4172.4000111.6V16 M17 L24 R117 Y120V16-L20 HydrophobicContact CG1-CD1 4.03Å; V16-L20 HydrophobicContact CG1-CG 4.34Å; V16-L20 WeakPolarHBondContact O-CG 3.37Å; V16-L20 PolarHBondContact O-N 3.34Å; M17-L20 PolarHBondContact O-N 2.97Å; L20-L24 WeakPolarHBondContact O-CB 3.36Å; L20-L24 WeakPolarHBondContact O-CG 3.5Å; L20-L24 PolarHBondContact O-N 3.49Å; L20-R117 HydrophobicContact CB-CB 4.47Å; L20-R117 HydrophobicContact CB-CG 4.17Å; L20-R117 HydrophobicContact CD1-CB 4.14Å; L20-R117 HydrophobicContact CD1-CG 4.07Å; L20-Y120 HydrophobicContact CD1-CD1 4.31Å
21D97.8Very high94.7Very high65 Ų6564.4 Ų64.435%0.34833%0.328SS..Hα-helixtrans-65.1-43.6176.5-74.1-30.3000112.4M17 R18 L19 L24 H25 R117M17-D21 WeakPolarHBondContact O-CB 3.23Å; M17-D21 PolarHBondContact O-N 2.92Å; R18-D21 PolarHBondContact O-N 3.19Å; L19-D21 VanDerWaalsContact C-N 3.27Å; L19-D21 PolarHBondContact O-N 3.2Å; D21-L24 PolarHBondContact O-N 2.87Å; D21-H25 WeakPolarHBondContact O-CB 3.28Å; D21-H25 PolarHBondContact O-N 2.95Å; D21-R117 IonicContact OD1-CZ 3.75Å; D21-R117 IonicContact OD1-NE 3.7Å; D21-R117 PolarHBondContact OD1-NE 2.94Å; D21-R117 IonicContact OD1-NH2 2.97Å; D21-R117 PolarHBondContact OD1-NH2 3.09Å; D21-R117 IonicContact OD2-CZ 2.63Å; D21-R117 IonicContact OD2-NE 3.22Å; D21-R117 IonicContact OD2-NH2 3.46Å; D21-R117 PolarHBondContact OD2-NH2 2.95Å
22S98Very high95.4Very high64 Ų6464.7 Ų64.745%0.44833%0.326SS..Hα-helixtrans-68-39.2179.367.60000112.3R18 L19 H25 L26R18-S22 WeakPolarHBondContact O-CB 3.09Å; R18-S22 PolarHBondContact O-N 3.4Å; R18-S22 PolarHBondContact O-OG 3.18Å; L19-S22 PolarHBondContact O-N 3.24Å; L19-S22 PolarHBondContact O-OG 3.28Å; S22-H25 WeakPolarHBondContact O-CB 3.5Å; S22-H25 PolarHBondContact O-N 3.41Å; S22-L26 PolarHBondContact O-N 2.97Å
23E97.9Very high96.1Very high74 Ų7471.6 Ų71.635%0.34635%0.351SS..Hα-helixtrans-68.9-40.7176.7-67.8179.4130.500111.9L19 H25 L26 M27 K113L19-E23 HydrophobicContact CD1-CG 4.13Å; L19-E23 WeakPolarHBondContact O-CG 3.46Å; L19-E23 PolarHBondContact O-N 3.07Å; E23-H25 VanDerWaalsContact C-N 3.29Å; E23-H25 PolarHBondContact O-N 3.31Å; E23-L26 PolarHBondContact O-N 3.38Å; E23-M27 VanDerWaalsContact O-CG 3.23Å; E23-M27 WeakPolarHBondContact O-CG 3.35Å; E23-M27 PolarHBondContact O-N 3.1Å; E23-K113 IonicContact OE1-NZ 3.66Å; E23-K113 WeakPolarHBondContact OE2-CE 3.39Å; E23-K113 IonicContact OE2-NZ 3.72Å; E23-K113 PolarHBondContact OE2-NZ 3.05Å
24L98.5Very high96.6Very high18 Ų1871.4 Ų71.49%0.09435%0.35CS..Hα-helixtrans-58.7-44.1172.3-84.4170.6000111.3L20 D21 M27 E28 I110 K113 Q114L20-L24 WeakPolarHBondContact O-CB 3.36Å; L20-L24 WeakPolarHBondContact O-CG 3.5Å; L20-L24 PolarHBondContact O-N 3.49Å; D21-L24 PolarHBondContact O-N 2.87Å; L24-M27 PolarHBondContact O-N 3.18Å; L24-E28 PolarHBondContact O-N 3.25Å; L24-I110 HydrophobicContact CD2-CG2 4.35Å; L24-K113 HydrophobicContact CD2-CB 3.79Å; L24-K113 HydrophobicContact CD2-CD 4.04Å; L24-K113 HydrophobicContact CD2-CG 3.86Å; L24-K113 HydrophobicContact CG-CB 4.46Å; L24-K113 HydrophobicContact CG-CD 4.06Å; L24-K113 HydrophobicContact CG-CG 3.98Å; L24-Q114 HydrophobicContact CD1-CG 4.08Å; L24-Q114 HydrophobicContact CD2-CG 3.74Å
25H98.5Very high97Very high121 Ų12170.6 Ų70.656%0.5635%0.346SS*.Hα-helixtrans-61.4-44.7177-176.963.9000112.2D21 S22 E23 M27 E28 I29D21-H25 WeakPolarHBondContact O-CB 3.28Å; D21-H25 PolarHBondContact O-N 2.95Å; S22-H25 WeakPolarHBondContact O-CB 3.5Å; S22-H25 PolarHBondContact O-N 3.41Å; E23-H25 VanDerWaalsContact C-N 3.29Å; E23-H25 PolarHBondContact O-N 3.31Å; H25-M27 VanDerWaalsContact C-N 3.34Å; H25-M27 PolarHBondContact O-N 3.4Å; H25-E28 PolarHBondContact O-N 3.39Å; H25-I29 WeakPolarHBondContact NE2-CD1 3.33Å; H25-I29 WeakPolarHBondContact O-CG1 3.48Å; H25-I29 PolarHBondContact O-N 3.47Å
26L98.6Very high97.4Very high98 Ų9873.5 Ų73.551%0.51335%0.353SS..Hα-helixtrans-59.8-44.2175.6177.561.3000111.6S22 E23 E28 I29 M30S22-L26 PolarHBondContact O-N 2.97Å; E23-L26 PolarHBondContact O-N 3.38Å; L26-E28 VanDerWaalsContact C-N 3.3Å; L26-E28 PolarHBondContact O-N 3.44Å; L26-I29 WeakPolarHBondContact O-CB 3.48Å; L26-I29 PolarHBondContact O-N 3.16Å; L26-M30 HydrophobicContact CD1-CG 4.27Å; L26-M30 HydrophobicContact CD1-SD 4.41Å; L26-M30 HydrophobicContact CG-CG 4.41Å; L26-M30 HydrophobicContact CG-SD 4.04Å; L26-M30 VanDerWaalsContact O-CG 3.3Å; L26-M30 WeakPolarHBondContact O-CG 3.29Å; L26-M30 PolarHBondContact O-N 3.03Å
27M98.7Very high97.7Very high25 Ų2578 Ų7812%0.12337%0.368CS..Hα-helixtrans-61.2-39.2178.1-69.116977.100111.9E23 L24 H25 M30 K31 L106 L109 I110 K113E23-M27 VanDerWaalsContact O-CG 3.23Å; E23-M27 WeakPolarHBondContact O-CG 3.35Å; E23-M27 PolarHBondContact O-N 3.1Å; L24-M27 PolarHBondContact O-N 3.18Å; H25-M27 VanDerWaalsContact C-N 3.34Å; H25-M27 PolarHBondContact O-N 3.4Å; M27-M30 PolarHBondContact O-N 3.08Å; M27-K31 WeakPolarHBondContact O-CB 3.34Å; M27-K31 PolarHBondContact O-N 3.48Å; M27-L106 HydrophobicContact CB-CD1 4.02Å; M27-L106 HydrophobicContact CE-CD1 3.84Å; M27-L106 HydrophobicContact CG-CD1 4.12Å; M27-L109 HydrophobicContact CE-CB 3.46Å; M27-L109 VanDerWaalsContact CE-CB 3.46Å; M27-I110 HydrophobicContact CB-CD1 4.11Å; M27-I110 HydrophobicContact CB-CG1 3.66Å; M27-I110 HydrophobicContact CE-CG1 3.89Å; M27-K113 HydrophobicContact CE-CD 4.49Å; M27-K113 HydrophobicContact SD-CD 3.52Å; M27-K113 VanDerWaalsContact SD-CD 3.52Å
28E98.5Very high97.9Very high64 Ų6477 Ų7730%0.29936%0.363SS..Hα-helixtrans-66.9-39.6174.6-72.6-69-175.800112.7L24 H25 L26 K31 K32 I110L24-E28 PolarHBondContact O-N 3.25Å; H25-E28 PolarHBondContact O-N 3.39Å; L26-E28 VanDerWaalsContact C-N 3.3Å; L26-E28 PolarHBondContact O-N 3.44Å; E28-K31 PolarHBondContact O-N 3.44Å; E28-K32 WeakPolarHBondContact O-CG 3.46Å; E28-K32 PolarHBondContact O-N 2.99Å; E28-I110 HydrophobicContact CG-CD1 4.34Å; E28-I110 WeakPolarHBondContact OE1-CG2 3.4Å
29I98.6Very high98.1Very high85 Ų8573.8 Ų73.844%0.43635%0.354SS..Hα-helixtrans-60.7-49.2173.1-70169.3000110.2H25 L26 K31 K32 W33H25-I29 WeakPolarHBondContact NE2-CD1 3.33Å; H25-I29 WeakPolarHBondContact O-CG1 3.48Å; H25-I29 PolarHBondContact O-N 3.47Å; L26-I29 WeakPolarHBondContact O-CB 3.48Å; L26-I29 PolarHBondContact O-N 3.16Å; I29-K31 VanDerWaalsContact C-N 3.32Å; I29-K31 PolarHBondContact O-N 2.92Å; I29-K32 PolarHBondContact O-N 3.43Å; I29-W33 PolarHBondContact O-N 3.23Å
30M98.6Very high98.3Very high87 Ų8772.8 Ų72.843%0.42935%0.354SS..Hα-helixtrans-57.9-45.7178.8-71.5172.874.200110.9L26 M27 K32 W33 M34 L106L26-M30 HydrophobicContact CD1-CG 4.27Å; L26-M30 HydrophobicContact CD1-SD 4.41Å; L26-M30 HydrophobicContact CG-CG 4.41Å; L26-M30 HydrophobicContact CG-SD 4.04Å; L26-M30 VanDerWaalsContact O-CG 3.3Å; L26-M30 WeakPolarHBondContact O-CG 3.29Å; L26-M30 PolarHBondContact O-N 3.03Å; M27-M30 PolarHBondContact O-N 3.08Å; M30-K32 PolarHBondContact O-N 2.99Å; M30-W33 PolarHBondContact O-N 3Å; M30-M34 WeakPolarHBondContact O-CB 3.4Å; M30-M34 WeakPolarHBondContact O-CG 3.46Å; M30-M34 PolarHBondContact O-N 3.23Å; M30-L106 HydrophobicContact CB-CD2 3.95Å
31K98.5Very high98.4Very high63 Ų6373 Ų7327%0.27435%0.354SS..Hα-helixtrans-58.2-47.1177.5178.9177.3169.4172.10111.9M27 E28 I29 M34 G35 I103 L106 T107 I110M27-K31 WeakPolarHBondContact O-CB 3.34Å; M27-K31 PolarHBondContact O-N 3.48Å; E28-K31 PolarHBondContact O-N 3.44Å; I29-K31 VanDerWaalsContact C-N 3.32Å; I29-K31 PolarHBondContact O-N 2.92Å; K31-M34 PolarHBondContact O-N 3.17Å; K31-G35 PolarHBondContact O-N 3.42Å; K31-I103 HydrophobicContact CG-CG2 4.49Å; K31-L106 HydrophobicContact CB-CD2 3.8Å; K31-L106 HydrophobicContact CB-CG 4.39Å; K31-T107 VanDerWaalsContact CE-OG1 3.26Å; K31-T107 WeakPolarHBondContact CE-OG1 3.44Å; K31-T107 PolarHBondContact NZ-OG1 3Å; K31-I110 HydrophobicContact CB-CD1 4.3Å; K31-I110 HydrophobicContact CD-CD1 3.95Å
32K98.5Very high98.5Very high157 Ų15776.3 Ų76.368%0.68336%0.361SS*.Hα-helixtrans-61.7-45.7177.6-72.7176.2-176.7179.90111.7E28 I29 M30 G35 Q36E28-K32 WeakPolarHBondContact O-CG 3.46Å; E28-K32 PolarHBondContact O-N 2.99Å; I29-K32 PolarHBondContact O-N 3.43Å; M30-K32 PolarHBondContact O-N 2.99Å; K32-G35 PolarHBondContact O-N 3.43Å; K32-Q36 PolarHBondContact O-N 3.31Å
33W98.5Very high98.5Very high155 Ų15577.5 Ų77.559%0.58736%0.36SS*.Hα-helixtrans-61.9-45.3178.5-179.989.9000111.9I29 M30 G35 Q36 R37I29-W33 PolarHBondContact O-N 3.23Å; M30-W33 PolarHBondContact O-N 3Å; W33-G35 VanDerWaalsContact C-N 3.31Å; W33-G35 PolarHBondContact O-N 3.47Å; W33-Q36 PolarHBondContact O-N 3.17Å; W33-R37 PolarHBondContact O-N 2.97Å
34M98.6Very high98.6Very high26 Ų2678 Ų7813%0.12836%0.361CS..Hα-helixtrans-63.4-38.4176.7-66.9168.974.600111.5M30 K31 Q36 R37 A38 L98 P102 I103 L106M30-M34 WeakPolarHBondContact O-CB 3.4Å; M30-M34 WeakPolarHBondContact O-CG 3.46Å; M30-M34 PolarHBondContact O-N 3.23Å; K31-M34 PolarHBondContact O-N 3.17Å; M34-Q36 VanDerWaalsContact C-N 3.35Å; M34-R37 WeakPolarHBondContact O-CB 2.96Å; M34-R37 PolarHBondContact O-N 3.37Å; M34-A38 PolarHBondContact O-N 2.92Å; M34-L98 HydrophobicContact CE-CD1 3.64Å; M34-L98 WeakPolarHBondContact O-CD2 3.4Å; M34-P102 HydrophobicContact CE-CB 3.28Å; M34-P102 HydrophobicContact CE-CG 4.46Å; M34-I103 HydrophobicContact CB-CD1 3.83Å; M34-I103 HydrophobicContact CB-CG1 3.66Å; M34-I103 HydrophobicContact CE-CG1 4.02Å; M34-L106 HydrophobicContact SD-CD2 3.91Å
35G98.4Very high98.6Very high29 Ų2977.4 Ų77.430%0.29936%0.359SS..Hα-helixtrans-61-43.1173.800000112.3K31 K32 W33 R37 A38 K39K31-G35 PolarHBondContact O-N 3.42Å; K32-G35 PolarHBondContact O-N 3.43Å; W33-G35 VanDerWaalsContact C-N 3.31Å; W33-G35 PolarHBondContact O-N 3.47Å; G35-R37 VanDerWaalsContact C-N 3.35Å; G35-A38 PolarHBondContact O-N 3.39Å; G35-K39 PolarHBondContact O-N 3.47Å
36Q98.5Very high98.6Very high100 Ų10074.9 Ų74.947%0.46735%0.352SS..Hα-helixtrans-65.2-39.6174.6-176.557.138.900111.7K32 W33 M34 K39 S40K32-Q36 PolarHBondContact O-N 3.31Å; W33-Q36 PolarHBondContact O-N 3.17Å; M34-Q36 VanDerWaalsContact C-N 3.35Å; Q36-K39 PolarHBondContact O-N 2.92Å; Q36-S40 PolarHBondContact NE2-OG 2.84Å; Q36-S40 PolarHBondContact O-N 3.18Å; Q36-S40 PolarHBondContact O-OG 3.42Å
37R98.4Very high98.6Very high113 Ų11375.5 Ų75.543%0.42635%0.352SS..Hα-helixtrans-59.6-48.6174.3179.6-179.4179.4127.22.3112W33 M34 G35 K39 S40 E41 L98W33-R37 PolarHBondContact O-N 2.97Å; M34-R37 WeakPolarHBondContact O-CB 2.96Å; M34-R37 PolarHBondContact O-N 3.37Å; G35-R37 VanDerWaalsContact C-N 3.35Å; R37-K39 VanDerWaalsContact C-N 3.31Å; R37-K39 PolarHBondContact O-N 2.93Å; R37-S40 PolarHBondContact O-N 3.36Å; R37-E41 IonicContact CZ-OE1 2.64Å; R37-E41 IonicContact NE-OE1 3.07Å; R37-E41 PolarHBondContact NE-OE1 3.37Å; R37-E41 IonicContact NH2-OE1 2.9Å; R37-E41 PolarHBondContact NH2-OE1 2.95Å; R37-E41 WeakPolarHBondContact O-CG 3.36Å; R37-E41 PolarHBondContact O-N 3.33Å; R37-L98 HydrophobicContact CB-CD2 4.03Å; R37-L98 HydrophobicContact CG-CD2 3.87Å
38A98.6Very high98.6Very high1 Ų175 Ų751%0.00835%0.349CS..Hα-helixtrans-58.4-44.8177.200000111.1M34 G35 S40 E41 R42 S95 L98 L99 I103M34-A38 PolarHBondContact O-N 2.92Å; G35-A38 PolarHBondContact O-N 3.39Å; A38-S40 PolarHBondContact O-N 3.42Å; A38-E41 PolarHBondContact O-N 2.91Å; A38-R42 PolarHBondContact O-N 2.99Å; A38-S95 WeakPolarHBondContact O-CB 3.41Å; A38-S95 PolarHBondContact O-OG 3.42Å; A38-L98 HydrophobicContact CB-CB 4.44Å; A38-L98 HydrophobicContact CB-CD2 3.97Å; A38-L98 HydrophobicContact CB-CG 4.39Å; A38-L99 HydrophobicContact CB-CD1 4.37Å; A38-L99 HydrophobicContact CB-CD2 4.05Å; A38-L99 HydrophobicContact CB-CG 3.91Å; A38-I103 HydrophobicContact CB-CD1 4.48Å
39K98.5Very high98.5Very high112 Ų11276.3 Ų76.349%0.48736%0.356SS..Hα-helixtrans-57.7-47.9175.6-179.6177171.6-179.40111.9G35 Q36 R37 E41 R42 E43G35-K39 PolarHBondContact O-N 3.47Å; Q36-K39 PolarHBondContact O-N 2.92Å; R37-K39 VanDerWaalsContact C-N 3.31Å; R37-K39 PolarHBondContact O-N 2.93Å; K39-E41 PolarHBondContact O-N 3.25Å; K39-R42 PolarHBondContact O-N 3.17Å; K39-E43 WeakPolarHBondContact CE-OE1 3.39Å; K39-E43 IonicContact NZ-OE1 3.89Å; K39-E43 WeakPolarHBondContact O-CG 3.37Å; K39-E43 PolarHBondContact O-N 3.11Å
40S98.6Very high98.5Very high53 Ų5377 Ų7737%0.37136%0.357SS..Hα-helixtrans-63.4-39.8178.2-660000112.9Q36 R37 A38 R42 E43 F44Q36-S40 PolarHBondContact NE2-OG 2.84Å; Q36-S40 PolarHBondContact O-N 3.18Å; Q36-S40 PolarHBondContact O-OG 3.42Å; R37-S40 PolarHBondContact O-N 3.36Å; A38-S40 PolarHBondContact O-N 3.42Å; S40-R42 VanDerWaalsContact C-N 3.34Å; S40-R42 PolarHBondContact O-N 3.44Å; S40-E43 PolarHBondContact O-N 3.39Å; S40-F44 WeakPolarHBondContact O-CB 3.42Å; S40-F44 PolarHBondContact O-N 3Å
41E98.6Very high98.4Very high23 Ų2378.4 Ų78.411%0.10736%0.364CS..Hα-helixtrans-62.3-40.7174.8-72.7172.8177.200111.4R37 A38 K39 S45 R94 S95R37-E41 IonicContact CZ-OE1 2.64Å; R37-E41 IonicContact NE-OE1 3.07Å; R37-E41 PolarHBondContact NE-OE1 3.37Å; R37-E41 IonicContact NH2-OE1 2.9Å; R37-E41 PolarHBondContact NH2-OE1 2.95Å; R37-E41 WeakPolarHBondContact O-CG 3.36Å; R37-E41 PolarHBondContact O-N 3.33Å; A38-E41 PolarHBondContact O-N 2.91Å; K39-E41 PolarHBondContact O-N 3.25Å; E41-S45 WeakPolarHBondContact O-CB 3.42Å; E41-S45 PolarHBondContact O-N 3.48Å; E41-R94 VanDerWaalsContact OE2-C 3.3Å; E41-S95 PolarHBondContact OE2-N 3.5Å
42R98.7Very high98.2Very high134 Ų13475.6 Ų75.651%0.50635%0.352SS..Hα-helixtrans-66.5-46175.6-172.1179-176.296.1-0.4112.7A38 K39 S40 F44 S45 V46A38-R42 PolarHBondContact O-N 2.99Å; K39-R42 PolarHBondContact O-N 3.17Å; S40-R42 VanDerWaalsContact C-N 3.34Å; S40-R42 PolarHBondContact O-N 3.44Å; R42-F44 VanDerWaalsContact C-N 3.33Å; R42-F44 PolarHBondContact O-N 3.33Å; R42-S45 WeakPolarHBondContact O-CB 3.48Å; R42-S45 PolarHBondContact O-N 2.97Å; R42-V46 WeakPolarHBondContact O-CG2 3.49Å; R42-V46 PolarHBondContact O-N 3.46Å
43E98.7Very high98Very high90 Ų9069.4 Ų69.442%0.42133%0.33SS..Hα-helixtrans-61.7-42.8178-74170.9174.500111.2K39 S40 V46 Q47K39-E43 WeakPolarHBondContact CE-OE1 3.39Å; K39-E43 IonicContact NZ-OE1 3.89Å; K39-E43 WeakPolarHBondContact O-CG 3.37Å; K39-E43 PolarHBondContact O-N 3.11Å; S40-E43 PolarHBondContact O-N 3.39Å; E43-V46 PolarHBondContact O-N 2.99Å; E43-Q47 WeakPolarHBondContact O-CG 3.45Å; E43-Q47 PolarHBondContact O-N 3.33Å
44F98.7Very high97.8Very high84 Ų8467.4 Ų67.437%0.36833%0.329SS..Hα-helixtrans-65.3-41.8176.8-174.1-125.7000112.3S40 R42 V46 Q47 L48 M91S40-F44 WeakPolarHBondContact O-CB 3.42Å; S40-F44 PolarHBondContact O-N 3Å; R42-F44 VanDerWaalsContact C-N 3.33Å; R42-F44 PolarHBondContact O-N 3.33Å; F44-V46 VanDerWaalsContact C-N 3.32Å; F44-V46 PolarHBondContact O-N 3.49Å; F44-Q47 PolarHBondContact O-N 2.63Å; F44-L48 HydrophobicContact CD1-CD1 4.02Å; F44-L48 HydrophobicContact CD2-CG 4.48Å; F44-L48 HydrophobicContact CE1-CD1 3.65Å; F44-L48 HydrophobicContact CE1-CG 4.31Å; F44-L48 HydrophobicContact CE2-CD1 4.39Å; F44-L48 HydrophobicContact CE2-CD2 4.19Å; F44-L48 HydrophobicContact CE2-CG 4.16Å; F44-L48 HydrophobicContact CZ-CD1 3.85Å; F44-L48 HydrophobicContact CZ-CD2 4.03Å; F44-L48 HydrophobicContact CZ-CG 4.07Å; F44-L48 WeakPolarHBondContact O-CG 3.47Å; F44-L48 PolarHBondContact O-N 3Å; F44-M91 HydrophobicContact CD1-CG 3.85Å; F44-M91 HydrophobicContact CD1-SD 4.15Å; F44-M91 HydrophobicContact CE1-CE 4.34Å; F44-M91 HydrophobicContact CE1-CG 4.25Å
45S98.8Very high97.4Very high6 Ų666.5 Ų66.54%0.04233%0.325CS..Hα-helixtrans-54.5-47.5171.81720000112E41 R42 Q47 L48 H49 S88 R92E41-S45 WeakPolarHBondContact O-CB 3.42Å; E41-S45 PolarHBondContact O-N 3.48Å; R42-S45 WeakPolarHBondContact O-CB 3.48Å; R42-S45 PolarHBondContact O-N 2.97Å; S45-Q47 VanDerWaalsContact C-N 3.35Å; S45-Q47 PolarHBondContact O-N 3.26Å; S45-L48 PolarHBondContact O-N 3.45Å; S45-H49 PolarHBondContact O-N 3.36Å; S45-S88 WeakPolarHBondContact CB-O 3.47Å; S45-S88 PolarHBondContact O-OG 3.14Å; S45-S88 PolarHBondContact OG-O 2.85Å; S45-S88 PolarHBondContact OG-OG 3.12Å; S45-S88 VanDerWaalsContact OG-OG 3.1Å; S45-R92 WeakPolarHBondContact OG-CB 3.43Å
46V98.6Very high96.8Very high68 Ų6871.7 Ų71.741%0.41234%0.341SS..Hα-helixtrans-61.3-42.8178.8170.30000111.4R42 E43 F44 H49 Q50R42-V46 WeakPolarHBondContact O-CG2 3.49Å; R42-V46 PolarHBondContact O-N 3.46Å; E43-V46 PolarHBondContact O-N 2.99Å; F44-V46 VanDerWaalsContact C-N 3.32Å; F44-V46 PolarHBondContact O-N 3.49Å; V46-H49 PolarHBondContact O-N 3.32Å; V46-Q50 HydrophobicContact CG1-CG 4.41Å; V46-Q50 WeakPolarHBondContact O-CB 3.13Å; V46-Q50 VanDerWaalsContact O-CG 3.25Å; V46-Q50 WeakPolarHBondContact O-CG 3.32Å; V46-Q50 PolarHBondContact O-N 2.9Å
47Q98.6Very high96.1Very high110 Ų11074.7 Ų74.751%0.51435%0.353SS..Hα-helixtrans-62.2-45.2177.4-71.1173.30.500112E43 F44 S45 H49 Q50 M51E43-Q47 WeakPolarHBondContact O-CG 3.45Å; E43-Q47 PolarHBondContact O-N 3.33Å; F44-Q47 PolarHBondContact O-N 2.63Å; S45-Q47 VanDerWaalsContact C-N 3.35Å; S45-Q47 PolarHBondContact O-N 3.26Å; Q47-H49 PolarHBondContact O-N 3.47Å; Q47-Q50 PolarHBondContact O-N 2.87Å; Q47-M51 WeakPolarHBondContact O-CG 3.36Å; Q47-M51 PolarHBondContact O-N 3.44Å
48L98.4Very high95.2Very high14 Ų1476.3 Ų76.37%0.07337%0.367CS..Hα-helixtrans-61.7-42.3177-68.6174.7000112.2F44 S45 Q50 M51 T52 T84 L87F44-L48 HydrophobicContact CD1-CD1 4.02Å; F44-L48 HydrophobicContact CD2-CG 4.48Å; F44-L48 HydrophobicContact CE1-CD1 3.65Å; F44-L48 HydrophobicContact CE1-CG 4.31Å; F44-L48 HydrophobicContact CE2-CD1 4.39Å; F44-L48 HydrophobicContact CE2-CD2 4.19Å; F44-L48 HydrophobicContact CE2-CG 4.16Å; F44-L48 HydrophobicContact CZ-CD1 3.85Å; F44-L48 HydrophobicContact CZ-CD2 4.03Å; F44-L48 HydrophobicContact CZ-CG 4.07Å; F44-L48 WeakPolarHBondContact O-CG 3.47Å; F44-L48 PolarHBondContact O-N 3Å; S45-L48 PolarHBondContact O-N 3.45Å; L48-Q50 VanDerWaalsContact C-N 3.34Å; L48-M51 WeakPolarHBondContact O-CB 3.37Å; L48-M51 PolarHBondContact O-N 2.94Å; L48-T52 WeakPolarHBondContact O-CG2 3.5Å; L48-T52 PolarHBondContact O-N 3.11Å; L48-T52 VanDerWaalsContact O-N 3.1Å; L48-T84 HydrophobicContact CB-CG2 4.37Å; L48-T84 HydrophobicContact CD2-CG2 3.93Å; L48-L87 HydrophobicContact CD1-CB 4.14Å; L48-L87 HydrophobicContact CD1-CD2 3.75Å; L48-L87 HydrophobicContact CD1-CG 3.63Å
49H98.2Very high93.6Very high93 Ų9381 Ų8143%0.43139%0.392SS..Hα-helixtrans-67-35.2176.9-175.461.6000112.4S45 V46 Q47 M51 T52 A53 E85 S88S45-H49 PolarHBondContact O-N 3.36Å; V46-H49 PolarHBondContact O-N 3.32Å; Q47-H49 PolarHBondContact O-N 3.47Å; H49-M51 VanDerWaalsContact C-N 3.33Å; H49-T52 WeakPolarHBondContact CA-OG1 3.49Å; H49-T52 PolarHBondContact O-N 3.48Å; H49-T52 PolarHBondContact O-OG1 3.27Å; H49-A53 WeakPolarHBondContact O-CB 3.23Å; H49-A53 PolarHBondContact O-N 3.48Å; H49-E85 IonicContact CE1-OE2 3.76Å; H49-E85 IonicContact CG-OE2 3.87Å; H49-E85 IonicContact ND1-OE1 3.46Å; H49-E85 PolarHBondContact ND1-OE1 3.43Å; H49-E85 IonicContact ND1-OE2 2.86Å; H49-E85 PolarHBondContact ND1-OE2 3.23Å; H49-S88 WeakPolarHBondContact CB-OG 3.3Å
50Q97.8Very high91.6Very high100 Ų10086 Ų8647%0.46741%0.408SS..Hα-helixtrans-65-39.8173.7-74.3170.2-2.400111.3V46 Q47 L48 A53 M54V46-Q50 HydrophobicContact CG1-CG 4.41Å; V46-Q50 WeakPolarHBondContact O-CB 3.13Å; V46-Q50 VanDerWaalsContact O-CG 3.25Å; V46-Q50 WeakPolarHBondContact O-CG 3.32Å; V46-Q50 PolarHBondContact O-N 2.9Å; Q47-Q50 PolarHBondContact O-N 2.87Å; L48-Q50 VanDerWaalsContact C-N 3.34Å; Q50-A53 PolarHBondContact O-N 2.64Å; Q50-M54 VanDerWaalsContact O-CG 3.24Å; Q50-M54 WeakPolarHBondContact O-CG 3.39Å; Q50-M54 PolarHBondContact O-N 2.9Å
51M96.7Very high89.5Confident116 Ų11688.6 Ų88.657%0.57142%0.423SS*.Hα-helixtrans-62.5-41.9176-69172.462.800111.9Q47 L48 H49 M54 A55Q47-M51 WeakPolarHBondContact O-CG 3.36Å; Q47-M51 PolarHBondContact O-N 3.44Å; L48-M51 WeakPolarHBondContact O-CB 3.37Å; L48-M51 PolarHBondContact O-N 2.94Å; H49-M51 VanDerWaalsContact C-N 3.33Å; M51-M54 PolarHBondContact O-N 3.07Å; M51-A55 PolarHBondContact O-N 3.23Å
52T94.9Very high87.2Confident4 Ų496.4 Ų96.43%0.02546%0.46CS..Hα-helixtrans-66.3-44.5176.858.40000111.5L48 H49 M54 A55 E56 V81 T84 E85L48-T52 WeakPolarHBondContact O-CG2 3.5Å; L48-T52 PolarHBondContact O-N 3.11Å; L48-T52 VanDerWaalsContact O-N 3.1Å; H49-T52 WeakPolarHBondContact CA-OG1 3.49Å; H49-T52 PolarHBondContact O-N 3.48Å; H49-T52 PolarHBondContact O-OG1 3.27Å; T52-M54 VanDerWaalsContact C-N 3.27Å; T52-M54 PolarHBondContact O-N 2.95Å; T52-A55 WeakPolarHBondContact O-CB 3.42Å; T52-A55 PolarHBondContact O-N 3.22Å; T52-A55 VanDerWaalsContact O-N 3.1Å; T52-E56 PolarHBondContact O-N 3.42Å; T52-V81 HydrophobicContact CG2-CG1 4.29Å; T52-V81 WeakPolarHBondContact CG2-O 3.23Å; T52-T84 HydrophobicContact CG2-CG2 3.74Å; T52-E85 HydrophobicContact CG2-CB 3.82Å; T52-E85 PolarHBondContact OG1-OE2 3.05Å
53A94Very high84.6Confident26 Ų2696.6 Ų96.622%0.21548%0.476CS..Hα-helixtrans-63-30.6174.900000113.4H49 Q50 K57H49-A53 WeakPolarHBondContact O-CB 3.23Å; H49-A53 PolarHBondContact O-N 3.48Å; Q50-A53 PolarHBondContact O-N 2.64Å; A53-K57 WeakPolarHBondContact O-CD 3.22Å; A53-K57 VanDerWaalsContact O-CG 3.28Å; A53-K57 WeakPolarHBondContact O-CG 3.24Å; A53-K57 PolarHBondContact O-N 2.93Å
54M93.6Very high82.4Confident114 Ų11498.6 Ų98.656%0.56249%0.489SS*.Hα-helixtrans-69.2-43.5171.9-74.1176.1-171.200111.3Q50 M51 T52 E56 K57 M58Q50-M54 VanDerWaalsContact O-CG 3.24Å; Q50-M54 WeakPolarHBondContact O-CG 3.39Å; Q50-M54 PolarHBondContact O-N 2.9Å; M51-M54 PolarHBondContact O-N 3.07Å; T52-M54 VanDerWaalsContact C-N 3.27Å; T52-M54 PolarHBondContact O-N 2.95Å; M54-E56 PolarHBondContact O-N 3.28Å; M54-K57 PolarHBondContact O-N 2.99Å; M54-M58 WeakPolarHBondContact O-CG 3.4Å; M54-M58 PolarHBondContact O-N 3.12Å; M54-M58 VanDerWaalsContact O-N 3.15Å
55A90.1Very high80Confident6 Ų6100.4 Ų100.45%0.0551%0.51CS..Hα-helixtrans-59.5-45.3177.700000111.8M51 T52 K57 M58 D59 W77 V81M51-A55 PolarHBondContact O-N 3.23Å; T52-A55 WeakPolarHBondContact O-CB 3.42Å; T52-A55 PolarHBondContact O-N 3.22Å; T52-A55 VanDerWaalsContact O-N 3.1Å; A55-K57 VanDerWaalsContact C-N 3.31Å; A55-K57 PolarHBondContact O-N 3.35Å; A55-M58 PolarHBondContact O-N 3.02Å; A55-M58 VanDerWaalsContact O-N 3.15Å; A55-D59 PolarHBondContact O-N 2.92Å; A55-W77 HydrophobicContact CB-CZ2 4Å; A55-V81 HydrophobicContact CB-CG1 4.1Å; A55-V81 HydrophobicContact CB-CG2 3.77Å
56E85.9Confident77.7Confident138 Ų138103.2 Ų103.265%0.64554%0.539SS*.Hα-helixtrans-61.5-36.1177.7-69.2176.8168.800113.2T52 M54 D59T52-E56 PolarHBondContact O-N 3.42Å; M54-E56 PolarHBondContact O-N 3.28Å; E56-D59 PolarHBondContact O-N 2.92Å
57K83.9Confident75.5Confident164 Ų164103.1 Ų103.171%0.71355%0.546SS*.Hα-helixtrans-70.5-33.1176.9-71.9171.3-173.9178.70112.4A53 M54 A55A53-K57 WeakPolarHBondContact O-CD 3.22Å; A53-K57 VanDerWaalsContact O-CG 3.28Å; A53-K57 WeakPolarHBondContact O-CG 3.24Å; A53-K57 PolarHBondContact O-N 2.93Å; M54-K57 PolarHBondContact O-N 2.99Å; A55-K57 VanDerWaalsContact C-N 3.31Å; A55-K57 PolarHBondContact O-N 3.35Å
58M78.6Confident73.1Confident147 Ų147105 Ų10572%0.72456%0.559SS**Hα-helixtrans-75.4-29.1176.5-69.1-174.9-69.200112.1M54 A55 R60M54-M58 WeakPolarHBondContact O-CG 3.4Å; M54-M58 PolarHBondContact O-N 3.12Å; M54-M58 VanDerWaalsContact O-N 3.15Å; A55-M58 PolarHBondContact O-N 3.02Å; A55-M58 VanDerWaalsContact O-N 3.15Å; M58-R60 PolarHBondContact O-N 3.38Å
59D66.1Low70.9Confident98 Ų98115.2 Ų115.252%0.52460%0.598SS.*THydrogen-bonded Turntrans-79.710.3179.8-115.6-14.8000114.3A55 E56 P61A55-D59 PolarHBondContact O-N 2.92Å; E56-D59 PolarHBondContact O-N 2.92Å; D59-P61 VanDerWaalsContact O-CD 3.24Å; D59-P61 WeakPolarHBondContact O-CD 3.44Å; D59-P61 VanDerWaalsContact O-N 3.15Å
60R57.2Low69.3Low219 Ų219115.1 Ų115.183%0.82660%0.6SS**  trans-62.8116.2178.2-167.5175.2177-166.2-1.6109.6M58 Q62M58-R60 PolarHBondContact O-N 3.38Å; R60-Q62 PolarHBondContact O-N 2.95Å
61P53.7Low68.4Low106 Ų106113.3 Ų113.369%0.68860%0.598SS**  trans-68.1129.4-172.6-16.128.6000111.2D59 T63D59-P61 VanDerWaalsContact O-CD 3.24Å; D59-P61 WeakPolarHBondContact O-CD 3.44Å; D59-P61 VanDerWaalsContact O-N 3.15Å; P61-T63 VanDerWaalsContact C-N 3.31Å; P61-T63 PolarHBondContact O-N 3.3Å; P61-T63 VanDerWaalsContact O-N 3.07Å
62Q50.2Low67.9Low188 Ų188114.3 Ų114.388%0.87960%0.602SS**  trans-61.2104.3144.5-74.1-78.8-12.200105.6R60 N64R60-Q62 PolarHBondContact O-N 2.95Å; Q62-N64 PolarHBondContact O-N 3.46Å
63T43.8Very low67.5Low137 Ų137120.1 Ų120.184%0.8463%0.632SS**  trans-49.6101-177.1-8.80000110.6P61P61-T63 VanDerWaalsContact C-N 3.31Å; P61-T63 PolarHBondContact O-N 3.3Å; P61-T63 VanDerWaalsContact O-N 3.07Å
64N52.3Low67Low132 Ų132122.9 Ų122.971%0.70664%0.643SS**  trans-135.1109.3163.9-1497.5000109Q62 G66Q62-N64 PolarHBondContact O-N 3.46Å; N64-G66 PolarHBondContact O-N 3.18Å
65P48.3Very low66.6Low123 Ų123123.7 Ų123.780%0.79964%0.643SS**THydrogen-bonded Turntrans-79.228.5-166.332.2-32.9000113.6
66G49.9Very low66.7Low64 Ų64126.3 Ų126.366%0.6666%0.662SS**THydrogen-bonded Turntrans-123.24.5178.200000114.2N64 D68N64-G66 PolarHBondContact O-N 3.18Å; G66-D68 PolarHBondContact O-N 3.39Å
67A52.5Low66.9Low66 Ų66124.9 Ų124.955%0.54565%0.65SS.*  trans-83.325178.800000113.2Y69 I70A67-Y69 CarbonylContact O-C 3.33Å; A67-Y69 PolarHBondContact O-N 3.46Å; A67-I70 PolarHBondContact O-N 3.3Å
68D49Very low67.2Low149 Ų149118.8 Ų118.880%0.79763%0.634SS**  trans-58-12178-68.1-28.4000112.8G66 I70G66-D68 PolarHBondContact O-N 3.39Å; D68-I70 PolarHBondContact O-N 2.86Å
69Y52.2Low68Low229 Ų229115.4 Ų115.490%0.89862%0.621SS**SBendtrans-90.766161.8-99.3-98.2000111.6A67 S71A67-Y69 CarbonylContact O-C 3.33Å; A67-Y69 PolarHBondContact O-N 3.46Å; Y69-S71 PolarHBondContact O-N 2.94Å
70I65.1Low69.3Low92 Ų92115 Ų11547%0.47262%0.619SS.*  trans-59.8103.2166.8-62.7-179.5000106.9A67 D68 N74 K75A67-I70 PolarHBondContact O-N 3.3Å; D68-I70 PolarHBondContact O-N 2.86Å; I70-N74 HydrophobicContact CB-CB 4.48Å; I70-N74 HydrophobicContact CG2-CB 3.21Å; I70-K75 HydrophobicContact CG2-CG 4.23Å
71S79.1Confident71.2Confident61 Ų61105.5 Ų105.543%0.42759%0.585SS.*  trans-36.9144.1179.6168.90000112.1Y69 L73 N74 K75Y69-S71 PolarHBondContact O-N 2.94Å; S71-L73 CarbonylContact O-C 3.58Å; S71-L73 PolarHBondContact O-N 3.04Å; S71-L73 WeakPolarHBondContact OG-CB 3.41Å; S71-L73 PolarHBondContact OG-N 3.26Å; S71-N74 WeakPolarHBondContact O-CA 3.48Å; S71-N74 WeakPolarHBondContact O-CB 3.28Å; S71-N74 PolarHBondContact O-N 2.96Å; S71-K75 PolarHBondContact O-N 3.43Å; S71-K75 VanDerWaalsContact O-N 3.08Å
72Q86.3Confident73.2Confident138 Ų138103.7 Ų103.765%0.64558%0.575SS**Hα-helixtrans-49.3-30.7172-177.762.922.200111.5S76Q72-S76 WeakPolarHBondContact O-CB 3.46Å; Q72-S76 PolarHBondContact O-N 3.36Å; Q72-S76 PolarHBondContact O-OG 2.98Å
73L85.8Confident75.5Confident125 Ų125101 Ų10165%0.65456%0.562SS**Hα-helixtrans-62-47.8172.3-176.162.2000112.8S71 K75 S76 W77S71-L73 CarbonylContact O-C 3.58Å; S71-L73 PolarHBondContact O-N 3.04Å; S71-L73 WeakPolarHBondContact OG-CB 3.41Å; S71-L73 PolarHBondContact OG-N 3.26Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 3.05Å; L73-S76 PolarHBondContact O-N 2.91Å; L73-W77 WeakPolarHBondContact O-CB 3.3Å; L73-W77 PolarHBondContact O-N 2.83Å
74N83.9Confident78.1Confident85 Ų8595.8 Ų95.846%0.45553%0.531SS..Hα-helixtrans-66.4-36.4179-73.3-2.2000111.6I70 S71 W77 G78I70-N74 HydrophobicContact CB-CB 4.48Å; I70-N74 HydrophobicContact CG2-CB 3.21Å; S71-N74 WeakPolarHBondContact O-CA 3.48Å; S71-N74 WeakPolarHBondContact O-CB 3.28Å; S71-N74 PolarHBondContact O-N 2.96Å; N74-W77 PolarHBondContact O-N 2.97Å; N74-G78 PolarHBondContact O-N 3.41Å
75K85.6Confident80.2Confident130 Ų13091.6 Ų91.657%0.56551%0.507SS*.Hα-helixtrans-62.5-47.6172.1-66.6-179.1-177.2175.80111.2I70 S71 L73 W77 G78 V79I70-K75 HydrophobicContact CG2-CG 4.23Å; S71-K75 PolarHBondContact O-N 3.43Å; S71-K75 VanDerWaalsContact O-N 3.08Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 3.05Å; K75-W77 VanDerWaalsContact C-N 3.31Å; K75-W77 PolarHBondContact O-N 3.34Å; K75-G78 PolarHBondContact O-N 2.93Å; K75-V79 WeakPolarHBondContact O-CG2 3.39Å; K75-V79 PolarHBondContact O-N 2.97Å
76S90.6Very high82.6Confident62 Ų6288.9 Ų88.943%0.43449%0.491SS..Hα-helixtrans-61.7-37.8175.8-63.50000112.5Q72 L73 V79 L80Q72-S76 WeakPolarHBondContact O-CB 3.46Å; Q72-S76 PolarHBondContact O-N 3.36Å; Q72-S76 PolarHBondContact O-OG 2.98Å; L73-S76 PolarHBondContact O-N 2.91Å; S76-V79 PolarHBondContact O-N 3.42Å; S76-L80 PolarHBondContact O-N 3.09Å
77W90.7Very high84.9Confident107 Ų10789.2 Ų89.241%0.40548%0.477SS..Hα-helixtrans-62-48.5173.7175.6-111.4000112A55 L73 N74 K75 V79 L80 V81A55-W77 HydrophobicContact CB-CZ2 4Å; L73-W77 WeakPolarHBondContact O-CB 3.3Å; L73-W77 PolarHBondContact O-N 2.83Å; N74-W77 PolarHBondContact O-N 2.97Å; K75-W77 VanDerWaalsContact C-N 3.31Å; K75-W77 PolarHBondContact O-N 3.34Å; W77-V79 VanDerWaalsContact C-N 3.28Å; W77-V79 PolarHBondContact O-N 3Å; W77-L80 HydrophobicContact CE3-CD2 4.44Å; W77-L80 HydrophobicContact CZ3-CD2 4.1Å; W77-L80 WeakPolarHBondContact O-CB 3.49Å; W77-L80 PolarHBondContact O-N 2.9Å; W77-L80 VanDerWaalsContact O-N 3.07Å; W77-V81 HydrophobicContact CD2-CG2 4.18Å; W77-V81 HydrophobicContact CH2-CG2 4.45Å; W77-V81 HydrophobicContact CZ2-CG2 3.87Å; W77-V81 WeakPolarHBondContact O-CG2 3.5Å; W77-V81 PolarHBondContact O-N 2.95Å
78G90.6Very high87.1Confident36 Ų3686.3 Ų86.337%0.37145%0.453SS..Hα-helixtrans-58.1-40.1175.800000112.6N74 K75 V81 S82N74-G78 PolarHBondContact O-N 3.41Å; K75-G78 PolarHBondContact O-N 2.93Å; G78-V81 PolarHBondContact O-N 3.46Å; G78-S82 WeakPolarHBondContact O-CB 3.46Å; G78-S82 PolarHBondContact O-N 3.41Å; G78-S82 PolarHBondContact O-OG 3.27Å
79V94.1Very high89.5Confident76 Ų7683.8 Ų83.846%0.46144%0.436SS..Hα-helixtrans-61.1-47.3173.3173.30000111K75 S76 W77 V81 S82 Q83K75-V79 WeakPolarHBondContact O-CG2 3.39Å; K75-V79 PolarHBondContact O-N 2.97Å; S76-V79 PolarHBondContact O-N 3.42Å; W77-V79 VanDerWaalsContact C-N 3.28Å; W77-V79 PolarHBondContact O-N 3Å; V79-V81 PolarHBondContact O-N 3.25Å; V79-S82 PolarHBondContact O-N 3.37Å; V79-S82 PolarHBondContact O-OG 2.97Å; V79-Q83 HydrophobicContact CG1-CG 4.25Å; V79-Q83 WeakPolarHBondContact O-CG 3.48Å; V79-Q83 PolarHBondContact O-N 3.11Å
80L95.3Very high91.7Very high89 Ų8975.7 Ų75.747%0.46641%0.411SS..Hα-helixtrans-59.3-45.6179.2-175.5154.7000111.9S76 W77 Q83 T84S76-L80 PolarHBondContact O-N 3.09Å; W77-L80 HydrophobicContact CE3-CD2 4.44Å; W77-L80 HydrophobicContact CZ3-CD2 4.1Å; W77-L80 WeakPolarHBondContact O-CB 3.49Å; W77-L80 PolarHBondContact O-N 2.9Å; W77-L80 VanDerWaalsContact O-N 3.07Å; L80-Q83 PolarHBondContact O-N 3.42Å; L80-T84 WeakPolarHBondContact O-CB 3.27Å; L80-T84 PolarHBondContact O-N 3.21Å; L80-T84 PolarHBondContact O-OG1 3.28Å
81V95.8Very high93.3Very high21 Ų2173 Ų7313%0.12740%0.396CS..Hα-helixtrans-61.7-46.6176.6176.50000110.4T52 A55 W77 G78 V79 Q83 T84 E85T52-V81 HydrophobicContact CG2-CG1 4.29Å; T52-V81 WeakPolarHBondContact CG2-O 3.23Å; A55-V81 HydrophobicContact CB-CG1 4.1Å; A55-V81 HydrophobicContact CB-CG2 3.77Å; W77-V81 HydrophobicContact CD2-CG2 4.18Å; W77-V81 HydrophobicContact CH2-CG2 4.45Å; W77-V81 HydrophobicContact CZ2-CG2 3.87Å; W77-V81 WeakPolarHBondContact O-CG2 3.5Å; W77-V81 PolarHBondContact O-N 2.95Å; G78-V81 PolarHBondContact O-N 3.46Å; V79-V81 PolarHBondContact O-N 3.25Å; V81-Q83 PolarHBondContact O-N 2.93Å; V81-T84 WeakPolarHBondContact O-CB 3.36Å; V81-T84 PolarHBondContact O-N 3.49Å; V81-E85 PolarHBondContact O-N 3.42Å
82S96.1Very high94.2Very high68 Ų6876.3 Ų76.348%0.47640%0.4SS..Hα-helixtrans-62.7-38.6179.175.80000113.3G78 V79 E85 S86G78-S82 WeakPolarHBondContact O-CB 3.46Å; G78-S82 PolarHBondContact O-N 3.41Å; G78-S82 PolarHBondContact O-OG 3.27Å; V79-S82 PolarHBondContact O-N 3.37Å; V79-S82 PolarHBondContact O-OG 2.97Å; S82-E85 PolarHBondContact O-N 3.41Å; S82-S86 PolarHBondContact O-N 3.44Å
83Q98.1Very high94.8Very high130 Ų13077.6 Ų77.661%0.60740%0.398SS*.Hα-helixtrans-68.8-36.2176.6-74-179.4-15.200111.7V79 L80 V81 E85 S86 L87V79-Q83 HydrophobicContact CG1-CG 4.25Å; V79-Q83 WeakPolarHBondContact O-CG 3.48Å; V79-Q83 PolarHBondContact O-N 3.11Å; L80-Q83 PolarHBondContact O-N 3.42Å; V81-Q83 PolarHBondContact O-N 2.93Å; Q83-E85 VanDerWaalsContact C-N 3.35Å; Q83-S86 PolarHBondContact O-N 3.24Å; Q83-L87 WeakPolarHBondContact O-CB 3.38Å; Q83-L87 PolarHBondContact O-N 2.91Å
84T98.1Very high95.4Very high28 Ų2877.6 Ų77.617%0.17239%0.39CS..Hα-helixtrans-64.1-41.1175.1-55.70000111L48 T52 L80 V81 L87 S88L48-T84 HydrophobicContact CB-CG2 4.37Å; L48-T84 HydrophobicContact CD2-CG2 3.93Å; T52-T84 HydrophobicContact CG2-CG2 3.74Å; L80-T84 WeakPolarHBondContact O-CB 3.27Å; L80-T84 PolarHBondContact O-N 3.21Å; L80-T84 PolarHBondContact O-OG1 3.28Å; V81-T84 WeakPolarHBondContact O-CB 3.36Å; V81-T84 PolarHBondContact O-N 3.49Å; T84-L87 PolarHBondContact O-N 2.94Å; T84-S88 PolarHBondContact O-N 3.44Å
85E98Very high96Very high44 Ų4473.6 Ų73.621%0.20637%0.368CS..Hα-helixtrans-65.6-44.2174.3178.855.5-149.700111.5H49 T52 V81 S82 Q83 L87 S88 Q89H49-E85 IonicContact CE1-OE2 3.76Å; H49-E85 IonicContact CG-OE2 3.87Å; H49-E85 IonicContact ND1-OE1 3.46Å; H49-E85 PolarHBondContact ND1-OE1 3.43Å; H49-E85 IonicContact ND1-OE2 2.86Å; H49-E85 PolarHBondContact ND1-OE2 3.23Å; T52-E85 HydrophobicContact CG2-CB 3.82Å; T52-E85 PolarHBondContact OG1-OE2 3.05Å; V81-E85 PolarHBondContact O-N 3.42Å; S82-E85 PolarHBondContact O-N 3.41Å; Q83-E85 VanDerWaalsContact C-N 3.35Å; E85-L87 VanDerWaalsContact C-N 3.3Å; E85-L87 PolarHBondContact O-N 3.01Å; E85-S88 VanDerWaalsContact O-CB 3.31Å; E85-S88 WeakPolarHBondContact O-CB 3.12Å; E85-S88 PolarHBondContact O-N 2.87Å; E85-S88 VanDerWaalsContact O-N 3.12Å; E85-Q89 WeakPolarHBondContact O-CG 3.28Å; E85-Q89 PolarHBondContact O-N 3.3Å; E85-Q89 VanDerWaalsContact O-N 3.08Å; E85-Q89 PolarHBondContact OE1-NE2 3.38Å
86S98.4Very high96.6Very high66 Ų6671.2 Ų71.246%0.46236%0.359SS..Hα-helixtrans-58-42.7175.1-175.50000111.9S82 Q83 S88 Q89 V90S82-S86 PolarHBondContact O-N 3.44Å; Q83-S86 PolarHBondContact O-N 3.24Å; S86-S88 PolarHBondContact O-N 3.4Å; S86-Q89 PolarHBondContact O-N 3.43Å; S86-V90 WeakPolarHBondContact O-CG2 3.46Å; S86-V90 PolarHBondContact O-N 3.27Å
87L98.5Very high97Very high71 Ų7173.7 Ų73.737%0.37236%0.364SS..Hα-helixtrans-63.4-40.4175.7-177.462.1000112L48 Q83 T84 E85 Q89 V90 M91L48-L87 HydrophobicContact CD1-CB 4.14Å; L48-L87 HydrophobicContact CD1-CD2 3.75Å; L48-L87 HydrophobicContact CD1-CG 3.63Å; Q83-L87 WeakPolarHBondContact O-CB 3.38Å; Q83-L87 PolarHBondContact O-N 2.91Å; T84-L87 PolarHBondContact O-N 2.94Å; E85-L87 VanDerWaalsContact C-N 3.3Å; E85-L87 PolarHBondContact O-N 3.01Å; L87-Q89 VanDerWaalsContact C-N 3.31Å; L87-Q89 PolarHBondContact O-N 3.36Å; L87-V90 PolarHBondContact O-N 3.49Å; L87-M91 HydrophobicContact CD1-CE 3.69Å; L87-M91 HydrophobicContact CD1-CG 4.34Å; L87-M91 HydrophobicContact CG-CG 4.48Å; L87-M91 VanDerWaalsContact O-CG 3.31Å; L87-M91 WeakPolarHBondContact O-CG 3.26Å; L87-M91 PolarHBondContact O-N 3.37Å
88S98.6Very high97.3Very high5 Ų569.7 Ų69.74%0.03535%0.35CS..Hα-helixtrans-55.4-47.5173.8176.80000111.4S45 H49 T84 E85 S86 V90 M91 R92S45-S88 WeakPolarHBondContact CB-O 3.47Å; S45-S88 PolarHBondContact O-OG 3.14Å; S45-S88 PolarHBondContact OG-O 2.85Å; S45-S88 PolarHBondContact OG-OG 3.12Å; S45-S88 VanDerWaalsContact OG-OG 3.1Å; H49-S88 WeakPolarHBondContact CB-OG 3.3Å; T84-S88 PolarHBondContact O-N 3.44Å; E85-S88 VanDerWaalsContact O-CB 3.31Å; E85-S88 WeakPolarHBondContact O-CB 3.12Å; E85-S88 PolarHBondContact O-N 2.87Å; E85-S88 VanDerWaalsContact O-N 3.12Å; S86-S88 PolarHBondContact O-N 3.4Å; S88-V90 PolarHBondContact O-N 3.03Å; S88-M91 PolarHBondContact O-N 3.28Å; S88-R92 PolarHBondContact O-N 2.95Å
89Q98.6Very high97.6Very high96 Ų9671.3 Ų71.345%0.44935%0.35SS..Hα-helixtrans-64.9-40.7-179.6-65.7174.810.200112.1E85 S86 L87 R92 R93E85-Q89 WeakPolarHBondContact O-CG 3.28Å; E85-Q89 PolarHBondContact O-N 3.3Å; E85-Q89 VanDerWaalsContact O-N 3.08Å; E85-Q89 PolarHBondContact OE1-NE2 3.38Å; S86-Q89 PolarHBondContact O-N 3.43Å; L87-Q89 VanDerWaalsContact C-N 3.31Å; L87-Q89 PolarHBondContact O-N 3.36Å; Q89-R92 PolarHBondContact O-N 3.49Å; Q89-R93 PolarHBondContact O-N 3.3Å
90V98.5Very high97.7Very high60 Ų6073.9 Ų73.936%0.36436%0.361SS..Hα-helixtrans-61.3-44.3174.9170.30000111S86 L87 S88 R93 R94S86-V90 WeakPolarHBondContact O-CG2 3.46Å; S86-V90 PolarHBondContact O-N 3.27Å; L87-V90 PolarHBondContact O-N 3.49Å; S88-V90 PolarHBondContact O-N 3.03Å; V90-R93 PolarHBondContact O-N 3.26Å; V90-R94 WeakPolarHBondContact O-CG 3.42Å; V90-R94 PolarHBondContact O-N 2.98Å
91M98.5Very high97.8Very high35 Ų3570.6 Ų70.617%0.17235%0.349CS..Hα-helixtrans-65.8-38.8179.2-69.4-64.7164.900112.1F44 L87 S88 R94 S95F44-M91 HydrophobicContact CD1-CG 3.85Å; F44-M91 HydrophobicContact CD1-SD 4.15Å; F44-M91 HydrophobicContact CE1-CE 4.34Å; F44-M91 HydrophobicContact CE1-CG 4.25Å; L87-M91 HydrophobicContact CD1-CE 3.69Å; L87-M91 HydrophobicContact CD1-CG 4.34Å; L87-M91 HydrophobicContact CG-CG 4.48Å; L87-M91 VanDerWaalsContact O-CG 3.31Å; L87-M91 WeakPolarHBondContact O-CG 3.26Å; L87-M91 PolarHBondContact O-N 3.37Å; S88-M91 PolarHBondContact O-N 3.28Å; M91-R94 PolarHBondContact O-N 3.42Å; M91-S95 PolarHBondContact O-N 3.3Å; M91-S95 VanDerWaalsContact O-N 3.11Å
92R98.6Very high97.8Very high131 Ų13172.5 Ų72.549%0.49436%0.362SS..Hα-helixtrans-59.9-50.5173.4-168.4174.170.9-162-0.4111.4S45 S88 Q89 R94 S95 E96S45-R92 WeakPolarHBondContact OG-CB 3.43Å; S88-R92 PolarHBondContact O-N 2.95Å; Q89-R92 PolarHBondContact O-N 3.49Å; R92-R94 VanDerWaalsContact C-N 3.33Å; R92-R94 PolarHBondContact O-N 3.08Å; R92-S95 WeakPolarHBondContact O-CB 3.36Å; R92-S95 PolarHBondContact O-N 3.41Å; R92-E96 WeakPolarHBondContact O-CG 3.38Å; R92-E96 PolarHBondContact O-N 2.89Å; R92-E96 VanDerWaalsContact O-N 3.12Å
93R98.4Very high97.9Very high165 Ų16570.1 Ų70.162%0.62334%0.343SS*.Hα-helixtrans-59.1-43.5179175.1-179.7-86.1179.1-4.8111.5Q89 V90 S95 E96 E97Q89-R93 PolarHBondContact O-N 3.3Å; V90-R93 PolarHBondContact O-N 3.26Å; R93-S95 VanDerWaalsContact C-N 3.33Å; R93-S95 PolarHBondContact O-N 3.21Å; R93-E96 PolarHBondContact O-N 3.21Å; R93-E96 VanDerWaalsContact O-N 3.14Å; R93-E97 VanDerWaalsContact CD-OE1 3.27Å; R93-E97 WeakPolarHBondContact CD-OE1 3.44Å; R93-E97 HydrophobicContact CG-CG 4.08Å; R93-E97 VanDerWaalsContact CG-OE1 3.23Å; R93-E97 WeakPolarHBondContact CG-OE1 3.43Å; R93-E97 WeakPolarHBondContact O-CB 3.29Å; R93-E97 WeakPolarHBondContact O-CG 3.19Å; R93-E97 PolarHBondContact O-N 3.34Å
94R97.6Very high97.9Very high125 Ų12566.5 Ų66.547%0.47233%0.333SS..Hα-helixtrans-60.1-42.1177.4-75.4-179.4179.5-152.90.1112.4E41 V90 M91 R92 E96 E97 L98E41-R94 VanDerWaalsContact OE2-C 3.3Å; V90-R94 WeakPolarHBondContact O-CG 3.42Å; V90-R94 PolarHBondContact O-N 2.98Å; M91-R94 PolarHBondContact O-N 3.42Å; R92-R94 VanDerWaalsContact C-N 3.33Å; R92-R94 PolarHBondContact O-N 3.08Å; R94-E96 VanDerWaalsContact C-N 3.31Å; R94-E96 PolarHBondContact O-N 2.73Å; R94-E97 PolarHBondContact O-N 2.93Å; R94-L98 VanDerWaalsContact O-CB 3.29Å; R94-L98 WeakPolarHBondContact O-CB 3.44Å; R94-L98 PolarHBondContact O-N 2.99Å
95S98.4Very high98Very high1 Ų172.1 Ų72.11%0.00736%0.355CS..Hα-helixtrans-59.2-43.1174.41700000111.7A38 E41 M91 R92 R93 L99A38-S95 WeakPolarHBondContact O-CB 3.41Å; A38-S95 PolarHBondContact O-OG 3.42Å; E41-S95 PolarHBondContact OE2-N 3.5Å; M91-S95 PolarHBondContact O-N 3.3Å; M91-S95 VanDerWaalsContact O-N 3.11Å; R92-S95 WeakPolarHBondContact O-CB 3.36Å; R92-S95 PolarHBondContact O-N 3.41Å; R93-S95 VanDerWaalsContact C-N 3.33Å; R93-S95 PolarHBondContact O-N 3.21Å; S95-L99 WeakPolarHBondContact O-CD1 3.29Å; S95-L99 VanDerWaalsContact O-CG 3.29Å; S95-L99 WeakPolarHBondContact O-CG 3.43Å; S95-L99 PolarHBondContact O-N 3Å
96E98.2Very high98Very high80 Ų8070.9 Ų70.937%0.37435%0.349SS..Hα-helixtrans-68.8-48.8-179.8-69.1165179.200111.2R92 R93 R94 L98 L99 D100R92-E96 WeakPolarHBondContact O-CG 3.38Å; R92-E96 PolarHBondContact O-N 2.89Å; R92-E96 VanDerWaalsContact O-N 3.12Å; R93-E96 PolarHBondContact O-N 3.21Å; R93-E96 VanDerWaalsContact O-N 3.14Å; R94-E96 VanDerWaalsContact C-N 3.31Å; R94-E96 PolarHBondContact O-N 2.73Å; E96-L98 PolarHBondContact O-N 3.04Å; E96-L99 PolarHBondContact O-N 2.94Å; E96-L99 VanDerWaalsContact O-N 3.09Å; E96-D100 PolarHBondContact O-N 2.98Å
97E98.2Very high98Very high113 Ų11369.1 Ų69.153%0.52834%0.336SS..Hα-helixtrans-58.1-37.1177-73.6174.2178.100112.3R93 R94 G101 P102R93-E97 VanDerWaalsContact CD-OE1 3.27Å; R93-E97 WeakPolarHBondContact CD-OE1 3.44Å; R93-E97 HydrophobicContact CG-CG 4.08Å; R93-E97 VanDerWaalsContact CG-OE1 3.23Å; R93-E97 WeakPolarHBondContact CG-OE1 3.43Å; R93-E97 WeakPolarHBondContact O-CB 3.29Å; R93-E97 WeakPolarHBondContact O-CG 3.19Å; R93-E97 PolarHBondContact O-N 3.34Å; R94-E97 PolarHBondContact O-N 2.93Å; E97-G101 WeakPolarHBondContact O-CA 3.45Å; E97-G101 PolarHBondContact O-N 3.21Å; E97-P102 WeakPolarHBondContact O-CD 3.43Å
98L97.6Very high98Very high23 Ų2370.4 Ų70.412%0.1234%0.343CS..Hα-helixtrans-67-39.9177.6-172.258.5000112.1M34 R37 A38 R94 E96 P102 I103M34-L98 HydrophobicContact CE-CD1 3.64Å; M34-L98 WeakPolarHBondContact O-CD2 3.4Å; R37-L98 HydrophobicContact CB-CD2 4.03Å; R37-L98 HydrophobicContact CG-CD2 3.87Å; A38-L98 HydrophobicContact CB-CB 4.44Å; A38-L98 HydrophobicContact CB-CD2 3.97Å; A38-L98 HydrophobicContact CB-CG 4.39Å; R94-L98 VanDerWaalsContact O-CB 3.29Å; R94-L98 WeakPolarHBondContact O-CB 3.44Å; R94-L98 PolarHBondContact O-N 2.99Å; E96-L98 PolarHBondContact O-N 3.04Å; L98-P102 HydrophobicContact CD1-CB 4.12Å; L98-P102 HydrophobicContact CD1-CG 4.13Å; L98-P102 WeakPolarHBondContact O-CD 3.43Å; L98-I103 HydrophobicContact CG-CD1 4.01Å; L98-I103 HydrophobicContact CG-CG1 4.38Å; L98-I103 WeakPolarHBondContact O-CB 3.39Å; L98-I103 VanDerWaalsContact O-CG1 3.28Å; L98-I103 WeakPolarHBondContact O-CG1 3.49Å; L98-I103 PolarHBondContact O-N 3.26Å
99L96.4Very high98Very high70 Ų7074.8 Ų74.837%0.36637%0.365SS..Iπ-helixtrans-69.9-52.3178.3-70.8165.4000111.4A38 S95 E96 I103 S104A38-L99 HydrophobicContact CB-CD1 4.37Å; A38-L99 HydrophobicContact CB-CD2 4.05Å; A38-L99 HydrophobicContact CB-CG 3.91Å; S95-L99 WeakPolarHBondContact O-CD1 3.29Å; S95-L99 VanDerWaalsContact O-CG 3.29Å; S95-L99 WeakPolarHBondContact O-CG 3.43Å; S95-L99 PolarHBondContact O-N 3Å; E96-L99 PolarHBondContact O-N 2.94Å; E96-L99 VanDerWaalsContact O-N 3.09Å; L99-I103 HydrophobicContact CD2-CD1 3.94Å; L99-S104 PolarHBondContact O-N 2.74Å; L99-S104 PolarHBondContact O-OG 3.42Å
100D95.8Very high98Very high130 Ų13070.4 Ų70.470%0.69535%0.345SS*.Iπ-helixtrans-78.7-26.1-171.7-67.5-17.6000112.7E96 S104E96-D100 PolarHBondContact O-N 2.98Å; D100-S104 WeakPolarHBondContact O-CB 3.31Å
101G96.8Very high98Very high20 Ų2075.2 Ų75.221%0.20636%0.357CS..Iπ-helixtrans-98.2-92.8178.700000112.4E97 I103 S104 K105E97-G101 WeakPolarHBondContact O-CA 3.45Å; E97-G101 PolarHBondContact O-N 3.21Å; G101-I103 PolarHBondContact O-N 2.9Å; G101-S104 PolarHBondContact O-N 3.04Å; G101-K105 WeakPolarHBondContact O-CG 3.37Å; G101-K105 PolarHBondContact O-N 3.4Å
102P97.4Very high98Very high62 Ų6278.4 Ų78.440%0.40337%0.374SS..Iπ-helixtrans-58.6-44-170.4-27.636.8000115.4M34 E97 L98 K105 L106M34-P102 HydrophobicContact CE-CB 3.28Å; M34-P102 HydrophobicContact CE-CG 4.46Å; E97-P102 WeakPolarHBondContact O-CD 3.43Å; L98-P102 HydrophobicContact CD1-CB 4.12Å; L98-P102 HydrophobicContact CD1-CG 4.13Å; L98-P102 WeakPolarHBondContact O-CD 3.43Å; P102-K105 PolarHBondContact O-N 3.44Å; P102-L106 VanDerWaalsContact O-CB 3.3Å; P102-L106 WeakPolarHBondContact O-CB 3.34Å; P102-L106 PolarHBondContact O-N 3.03Å
103I98.3Very high98Very high17 Ų1774.1 Ų74.19%0.08736%0.359CS..Iπ-helixtrans-66.1-40.6-179.3-69.7171.9000111.2K31 M34 A38 L98 L99 G101 L106 T107K31-I103 HydrophobicContact CG-CG2 4.49Å; M34-I103 HydrophobicContact CB-CD1 3.83Å; M34-I103 HydrophobicContact CB-CG1 3.66Å; M34-I103 HydrophobicContact CE-CG1 4.02Å; A38-I103 HydrophobicContact CB-CD1 4.48Å; L98-I103 HydrophobicContact CG-CD1 4.01Å; L98-I103 HydrophobicContact CG-CG1 4.38Å; L98-I103 WeakPolarHBondContact O-CB 3.39Å; L98-I103 VanDerWaalsContact O-CG1 3.28Å; L98-I103 WeakPolarHBondContact O-CG1 3.49Å; L98-I103 PolarHBondContact O-N 3.26Å; L99-I103 HydrophobicContact CD2-CD1 3.94Å; G101-I103 PolarHBondContact O-N 2.9Å; I103-L106 PolarHBondContact O-N 3.2Å; I103-T107 WeakPolarHBondContact O-CB 3.4Å; I103-T107 PolarHBondContact O-N 3.23Å; I103-T107 PolarHBondContact O-OG1 3.23Å
104S97.9Very high98Very high54 Ų5470.9 Ų70.938%0.37835%0.351SS..Hα-helixtrans-64.8-46177.1-69.50000111.4L99 D100 G101 L106 T107 L108L99-S104 PolarHBondContact O-N 2.74Å; L99-S104 PolarHBondContact O-OG 3.42Å; D100-S104 WeakPolarHBondContact O-CB 3.31Å; G101-S104 PolarHBondContact O-N 3.04Å; S104-L106 PolarHBondContact O-N 3.12Å; S104-T107 WeakPolarHBondContact O-CB 3.44Å; S104-T107 PolarHBondContact O-N 3.36Å; S104-L108 PolarHBondContact O-N 2.93Å; S104-L108 VanDerWaalsContact O-N 3.12Å
105K98.4Very high98Very high146 Ų14669.8 Ų69.864%0.63535%0.351SS*.Hα-helixtrans-60.7-43.9173.8-71.2177-177.8179.80112.4G101 P102 T107 L108 L109G101-K105 WeakPolarHBondContact O-CG 3.37Å; G101-K105 PolarHBondContact O-N 3.4Å; P102-K105 PolarHBondContact O-N 3.44Å; K105-T107 VanDerWaalsContact C-N 3.3Å; K105-T107 PolarHBondContact O-N 2.96Å; K105-L108 PolarHBondContact O-N 3.38Å; K105-L109 WeakPolarHBondContact O-CG 3.47Å; K105-L109 PolarHBondContact O-N 2.96Å
106L98.6Very high97.9Very high18 Ų1874.7 Ų74.79%0.09438%0.377CS..Hα-helixtrans-63.4-37.6177.4-177.158.5000111.6M27 M30 K31 M34 P102 I103 S104 L108 L109 I110M27-L106 HydrophobicContact CB-CD1 4.02Å; M27-L106 HydrophobicContact CE-CD1 3.84Å; M27-L106 HydrophobicContact CG-CD1 4.12Å; M30-L106 HydrophobicContact CB-CD2 3.95Å; K31-L106 HydrophobicContact CB-CD2 3.8Å; K31-L106 HydrophobicContact CB-CG 4.39Å; M34-L106 HydrophobicContact SD-CD2 3.91Å; P102-L106 VanDerWaalsContact O-CB 3.3Å; P102-L106 WeakPolarHBondContact O-CB 3.34Å; P102-L106 PolarHBondContact O-N 3.03Å; I103-L106 PolarHBondContact O-N 3.2Å; S104-L106 PolarHBondContact O-N 3.12Å; L106-L108 VanDerWaalsContact C-N 3.34Å; L106-L108 PolarHBondContact O-N 3.02Å; L106-L109 PolarHBondContact O-N 2.98Å; L106-I110 HydrophobicContact CG-CD1 4.18Å; L106-I110 VanDerWaalsContact O-CG1 3.24Å; L106-I110 WeakPolarHBondContact O-CG1 3.48Å; L106-I110 PolarHBondContact O-N 3.35Å
107T98.4Very high97.9Very high30 Ų3074.6 Ų74.618%0.18437%0.373CS..Hα-helixtrans-62.6-39.9175.2-62.80000112.1K31 I103 S104 K105 R111K31-T107 VanDerWaalsContact CE-OG1 3.26Å; K31-T107 WeakPolarHBondContact CE-OG1 3.44Å; K31-T107 PolarHBondContact NZ-OG1 3Å; I103-T107 WeakPolarHBondContact O-CB 3.4Å; I103-T107 PolarHBondContact O-N 3.23Å; I103-T107 PolarHBondContact O-OG1 3.23Å; S104-T107 WeakPolarHBondContact O-CB 3.44Å; S104-T107 PolarHBondContact O-N 3.36Å; K105-T107 VanDerWaalsContact C-N 3.3Å; K105-T107 PolarHBondContact O-N 2.96Å; T107-R111 WeakPolarHBondContact O-CG 3.41Å; T107-R111 PolarHBondContact O-N 3.4Å
108L98.4Very high97.8Very high98 Ų9874.7 Ų74.751%0.51337%0.372SS..Hα-helixtrans-64.9-48.7173.6-67.7174.3000111.1S104 K105 L106 I110 R111 D112S104-L108 PolarHBondContact O-N 2.93Å; S104-L108 VanDerWaalsContact O-N 3.12Å; K105-L108 PolarHBondContact O-N 3.38Å; L106-L108 VanDerWaalsContact C-N 3.34Å; L106-L108 PolarHBondContact O-N 3.02Å; L108-I110 VanDerWaalsContact C-N 3.28Å; L108-I110 PolarHBondContact O-N 3.44Å; L108-R111 WeakPolarHBondContact O-CB 3.49Å; L108-R111 PolarHBondContact O-N 3.49Å; L108-D112 PolarHBondContact O-N 2.86Å
109L98.5Very high97.8Very high96 Ų9675.5 Ų75.550%0.50338%0.378SS..Hα-helixtrans-59.1-37.8178.5-71.2172.9000112.9M27 K105 L106 D112 K113M27-L109 HydrophobicContact CE-CB 3.46Å; M27-L109 VanDerWaalsContact CE-CB 3.46Å; K105-L109 WeakPolarHBondContact O-CG 3.47Å; K105-L109 PolarHBondContact O-N 2.96Å; L106-L109 PolarHBondContact O-N 2.98Å; L109-D112 PolarHBondContact O-N 2.96Å; L109-K113 WeakPolarHBondContact O-CB 3.42Å; L109-K113 PolarHBondContact O-N 3.1Å
110I98.6Very high97.7Very high5 Ų575.2 Ų75.23%0.02637%0.372CS..Hα-helixtrans-59.9-47.9174.3-72.3165.4000110.1L24 M27 E28 K31 L106 L108 K113 Q114L24-I110 HydrophobicContact CD2-CG2 4.35Å; M27-I110 HydrophobicContact CB-CD1 4.11Å; M27-I110 HydrophobicContact CB-CG1 3.66Å; M27-I110 HydrophobicContact CE-CG1 3.89Å; E28-I110 HydrophobicContact CG-CD1 4.34Å; E28-I110 WeakPolarHBondContact OE1-CG2 3.4Å; K31-I110 HydrophobicContact CB-CD1 4.3Å; K31-I110 HydrophobicContact CD-CD1 3.95Å; L106-I110 HydrophobicContact CG-CD1 4.18Å; L106-I110 VanDerWaalsContact O-CG1 3.24Å; L106-I110 WeakPolarHBondContact O-CG1 3.48Å; L106-I110 PolarHBondContact O-N 3.35Å; L108-I110 VanDerWaalsContact C-N 3.28Å; L108-I110 PolarHBondContact O-N 3.44Å; I110-K113 PolarHBondContact O-N 2.68Å; I110-Q114 HydrophobicContact CG2-CG 4.49Å; I110-Q114 VanDerWaalsContact O-CG 3.28Å; I110-Q114 WeakPolarHBondContact O-CG 3.31Å; I110-Q114 PolarHBondContact O-N 3.49Å
111R98.6Very high97.6Very high161 Ų16169.9 Ų69.961%0.60835%0.347SS*.Hα-helixtrans-62-47.1178.9-71.5176.5175.1177.1-0.9111.6T107 L108 K113 Q114 Q115T107-R111 WeakPolarHBondContact O-CG 3.41Å; T107-R111 PolarHBondContact O-N 3.4Å; L108-R111 WeakPolarHBondContact O-CB 3.49Å; L108-R111 PolarHBondContact O-N 3.49Å; R111-K113 VanDerWaalsContact C-N 3.28Å; R111-K113 PolarHBondContact O-N 2.98Å; R111-Q114 WeakPolarHBondContact O-CB 3.32Å; R111-Q114 PolarHBondContact O-N 3.46Å; R111-Q115 PolarHBondContact O-N 3.45Å
112D98.4Very high97.6Very high102 Ų10273.6 Ų73.655%0.54536%0.358SS..Hα-helixtrans-60.7-41.3179.3-66.2-18.3000111L108 L109 Q115 L116L108-D112 PolarHBondContact O-N 2.86Å; L109-D112 PolarHBondContact O-N 2.96Å; D112-Q115 PolarHBondContact O-N 2.84Å; D112-L116 WeakPolarHBondContact O-CB 2.84Å; D112-L116 PolarHBondContact O-N 3.46Å
113K98.1Very high97.3Very high40 Ų4075.9 Ų75.917%0.17436%0.364CS..Hα-helixtrans-70.4-36178.5-168.4170.9-166.4144.40113E23 L24 M27 L109 I110 R111 Q115 L116 R117E23-K113 IonicContact OE1-NZ 3.66Å; E23-K113 WeakPolarHBondContact OE2-CE 3.39Å; E23-K113 IonicContact OE2-NZ 3.72Å; E23-K113 PolarHBondContact OE2-NZ 3.05Å; L24-K113 HydrophobicContact CD2-CB 3.79Å; L24-K113 HydrophobicContact CD2-CD 4.04Å; L24-K113 HydrophobicContact CD2-CG 3.86Å; L24-K113 HydrophobicContact CG-CB 4.46Å; L24-K113 HydrophobicContact CG-CD 4.06Å; L24-K113 HydrophobicContact CG-CG 3.98Å; M27-K113 HydrophobicContact CE-CD 4.49Å; M27-K113 HydrophobicContact SD-CD 3.52Å; M27-K113 VanDerWaalsContact SD-CD 3.52Å; L109-K113 WeakPolarHBondContact O-CB 3.42Å; L109-K113 PolarHBondContact O-N 3.1Å; I110-K113 PolarHBondContact O-N 2.68Å; R111-K113 VanDerWaalsContact C-N 3.28Å; R111-K113 PolarHBondContact O-N 2.98Å; K113-Q115 VanDerWaalsContact C-N 3.33Å; K113-L116 PolarHBondContact O-N 3.44Å; K113-R117 WeakPolarHBondContact O-CB 3.5Å; K113-R117 PolarHBondContact O-N 3.27Å
114Q98.5Very high97Very high97 Ų9777.5 Ų77.545%0.45337%0.369SS..Hα-helixtrans-61-44.3171.4-74.8170.4-9.500111L24 I110 R111 R117 K118L24-Q114 HydrophobicContact CD1-CG 4.08Å; L24-Q114 HydrophobicContact CD2-CG 3.74Å; I110-Q114 HydrophobicContact CG2-CG 4.49Å; I110-Q114 VanDerWaalsContact O-CG 3.28Å; I110-Q114 WeakPolarHBondContact O-CG 3.31Å; I110-Q114 PolarHBondContact O-N 3.49Å; R111-Q114 WeakPolarHBondContact O-CB 3.32Å; R111-Q114 PolarHBondContact O-N 3.46Å; Q114-R117 PolarHBondContact O-N 3.08Å; Q114-K118 PolarHBondContact O-N 3.28Å; Q114-K118 VanDerWaalsContact O-N 3.11Å
115Q98.3Very high96.7Very high102 Ų10278.7 Ų78.748%0.47737%0.371SS..Hα-helixtrans-65.3-45.2176.8-176.256.538.100111.5R111 D112 K113 R117 K118 T119R111-Q115 PolarHBondContact O-N 3.45Å; D112-Q115 PolarHBondContact O-N 2.84Å; K113-Q115 VanDerWaalsContact C-N 3.33Å; Q115-R117 VanDerWaalsContact C-N 3.33Å; Q115-R117 PolarHBondContact O-N 3.49Å; Q115-K118 WeakPolarHBondContact O-CB 3.42Å; Q115-K118 PolarHBondContact O-N 2.93Å; Q115-T119 PolarHBondContact NE2-OG1 2.97Å; Q115-T119 VanDerWaalsContact NE2-OG1 3.08Å; Q115-T119 PolarHBondContact O-N 3.38Å; Q115-T119 PolarHBondContact O-OG1 3.04Å
116L96.9Very high96.5Very high104 Ų10476.5 Ų76.555%0.54537%0.365SS..Hα-helixtrans-56.1-47.1176.2177.163.8000111.7D112 K113 K118 T119 Y120D112-L116 WeakPolarHBondContact O-CB 2.84Å; D112-L116 PolarHBondContact O-N 3.46Å; K113-L116 PolarHBondContact O-N 3.44Å; L116-K118 VanDerWaalsContact C-N 3.34Å; L116-K118 PolarHBondContact O-N 3Å; L116-T119 PolarHBondContact O-N 3Å; L116-Y120 WeakPolarHBondContact O-CB 3.46Å; L116-Y120 PolarHBondContact O-N 3.07Å
117R96.8Very high96.1Very high78 Ų7881.1 Ų81.129%0.29439%0.389SS..Hα-helixtrans-57.9-46.4176.9-178-157.9-176.7-93.46.3111.6M17 L20 D21 K113 Q114 Q115 Y120 A121M17-R117 HydrophobicContact CE-CG 3.82Å; M17-R117 HydrophobicContact SD-CG 4.5Å; L20-R117 HydrophobicContact CB-CB 4.47Å; L20-R117 HydrophobicContact CB-CG 4.17Å; L20-R117 HydrophobicContact CD1-CB 4.14Å; L20-R117 HydrophobicContact CD1-CG 4.07Å; D21-R117 IonicContact OD1-CZ 3.75Å; D21-R117 IonicContact OD1-NE 3.7Å; D21-R117 PolarHBondContact OD1-NE 2.94Å; D21-R117 IonicContact OD1-NH2 2.97Å; D21-R117 PolarHBondContact OD1-NH2 3.09Å; D21-R117 IonicContact OD2-CZ 2.63Å; D21-R117 IonicContact OD2-NE 3.22Å; D21-R117 IonicContact OD2-NH2 3.46Å; D21-R117 PolarHBondContact OD2-NH2 2.95Å; K113-R117 WeakPolarHBondContact O-CB 3.5Å; K113-R117 PolarHBondContact O-N 3.27Å; Q114-R117 PolarHBondContact O-N 3.08Å; Q115-R117 VanDerWaalsContact C-N 3.33Å; Q115-R117 PolarHBondContact O-N 3.49Å; R117-Y120 PolarHBondContact O-N 3.44Å; R117-A121 PolarHBondContact O-N 3.01Å; R117-A121 VanDerWaalsContact O-N 3.1Å
118K97.6Very high95.6Very high116 Ų11685.5 Ų85.550%0.50440%0.403SS..Hα-helixtrans-60.8-52.3178.8-179.2179.2172.5-177.20110.8Q114 Q115 L116 Y120 A121 E122Q114-K118 PolarHBondContact O-N 3.28Å; Q114-K118 VanDerWaalsContact O-N 3.11Å; Q115-K118 WeakPolarHBondContact O-CB 3.42Å; Q115-K118 PolarHBondContact O-N 2.93Å; L116-K118 VanDerWaalsContact C-N 3.34Å; L116-K118 PolarHBondContact O-N 3Å; K118-Y120 VanDerWaalsContact C-N 3.33Å; K118-Y120 PolarHBondContact O-N 2.83Å; K118-A121 PolarHBondContact O-N 2.78Å; K118-E122 WeakPolarHBondContact CE-OE1 3.45Å; K118-E122 WeakPolarHBondContact CG-OE1 3.39Å; K118-E122 WeakPolarHBondContact O-CG 3.48Å; K118-E122 PolarHBondContact O-N 3.1Å
119T96.9Very high95.2Very high40 Ų4086.2 Ų86.225%0.24540%0.403CS..Hα-helixtrans-61.8-39-179.7-63.60000112.2Q115 L116 E122 H123Q115-T119 PolarHBondContact NE2-OG1 2.97Å; Q115-T119 VanDerWaalsContact NE2-OG1 3.08Å; Q115-T119 PolarHBondContact O-N 3.38Å; Q115-T119 PolarHBondContact O-OG1 3.04Å; L116-T119 PolarHBondContact O-N 3Å; T119-E122 PolarHBondContact O-N 3.33Å; T119-H123 WeakPolarHBondContact CG2-CE1 3.44Å; T119-H123 PolarHBondContact O-N 3.4Å; T119-H123 PolarHBondContact O-ND1 3.1Å; T119-H123 VanDerWaalsContact O-ND1 3.09Å
120Y94.8Very high94.8Very high63 Ų6385.8 Ų85.825%0.24740%0.399CS..Hα-helixtrans-61.2-46.1173.9170.8-102.1000112.3H13 V16 M17 L20 L116 R117 K118 E122 H123 W124H13-Y120 AromaticContact CE1-CE1 3.62Å; H13-Y120 AromaticContact ND1-CE1 3.36Å; H13-Y120 WeakPolarHBondContact ND1-CE1 3.48Å; H13-Y120 AromaticContact ND1-CZ 3.62Å; H13-Y120 PolarHBondContact ND1-OH 3.41Å; V16-Y120 HydrophobicContact CB-CE1 4.16Å; V16-Y120 HydrophobicContact CG1-CD1 4.29Å; V16-Y120 HydrophobicContact CG1-CE1 3.63Å; V16-Y120 HydrophobicContact CG1-CE2 4.47Å; M17-Y120 HydrophobicContact CG-CE1 4.32Å; M17-Y120 HydrophobicContact SD-CD1 3.62Å; M17-Y120 HydrophobicContact SD-CE1 3.78Å; L20-Y120 HydrophobicContact CD1-CD1 4.31Å; L116-Y120 WeakPolarHBondContact O-CB 3.46Å; L116-Y120 PolarHBondContact O-N 3.07Å; R117-Y120 PolarHBondContact O-N 3.44Å; K118-Y120 VanDerWaalsContact C-N 3.33Å; K118-Y120 PolarHBondContact O-N 2.83Å; Y120-E122 VanDerWaalsContact C-N 3.35Å; Y120-E122 PolarHBondContact O-N 3.03Å; Y120-H123 PolarHBondContact O-N 3.29Å; Y120-W124 WeakPolarHBondContact O-CB 3.43Å; Y120-W124 PolarHBondContact O-N 3.31Å
121A93.9Very high94.3Very high19 Ų1990.9 Ų90.916%0.15743%0.426CS..Hα-helixtrans-63.9-40.4178.800000112.2M17 R117 K118 W124 N125M17-A121 HydrophobicContact CE-CB 4.12Å; M17-A121 HydrophobicContact SD-CB 4.22Å; R117-A121 PolarHBondContact O-N 3.01Å; R117-A121 VanDerWaalsContact O-N 3.1Å; K118-A121 PolarHBondContact O-N 2.78Å; A121-W124 PolarHBondContact O-N 2.99Å; A121-N125 WeakPolarHBondContact O-CB 3.44Å; A121-N125 VanDerWaalsContact O-CG 3.3Å; A121-N125 PolarHBondContact O-N 3.44Å; A121-N125 PolarHBondContact O-ND2 3.46Å; A121-N125 VanDerWaalsContact O-ND2 3.16Å
122E96.3Very high93.7Very high97 Ų9785.7 Ų85.745%0.45341%0.41SS..Hα-helixtrans-61-49.9175.2-72.6168.8175.400111.5K118 T119 Y120 W124 N125 L126K118-E122 WeakPolarHBondContact CE-OE1 3.45Å; K118-E122 WeakPolarHBondContact CG-OE1 3.39Å; K118-E122 WeakPolarHBondContact O-CG 3.48Å; K118-E122 PolarHBondContact O-N 3.1Å; T119-E122 PolarHBondContact O-N 3.33Å; Y120-E122 VanDerWaalsContact C-N 3.35Å; Y120-E122 PolarHBondContact O-N 3.03Å; E122-W124 PolarHBondContact O-N 3.42Å; E122-N125 PolarHBondContact O-N 2.84Å; E122-L126 WeakPolarHBondContact O-CB 3.25Å; E122-L126 PolarHBondContact O-N 3.43Å
123H92.1Very high93.2Very high111 Ų11186.2 Ų86.251%0.51441%0.407SS..Hα-helixtrans-60.9-42.7177.4-71.8137.9000112.7T119 Y120 N125 L126 L127T119-H123 WeakPolarHBondContact CG2-CE1 3.44Å; T119-H123 PolarHBondContact O-N 3.4Å; T119-H123 PolarHBondContact O-ND1 3.1Å; T119-H123 VanDerWaalsContact O-ND1 3.09Å; Y120-H123 PolarHBondContact O-N 3.29Å; H123-N125 VanDerWaalsContact C-N 3.34Å; H123-N125 PolarHBondContact O-N 3.26Å; H123-L126 PolarHBondContact O-N 3.31Å; H123-L127 WeakPolarHBondContact O-CB 3.46Å; H123-L127 WeakPolarHBondContact O-CG 3.49Å; H123-L127 PolarHBondContact O-N 3.04Å
124W91.1Very high92.7Very high51 Ų5188.8 Ų88.819%0.19343%0.426CS..Hα-helixtrans-59.6-45.7176.2176.9-97.9000111.9H13 Y120 A121 E122 L127 R128H13-W124 HydrophobicContact CB-CD2 3.86Å; H13-W124 VanDerWaalsContact CB-CE2 3.47Å; H13-W124 HydrophobicContact CB-CE3 4.22Å; H13-W124 HydrophobicContact CB-CG 4.46Å; H13-W124 HydrophobicContact CB-CH2 3.9Å; H13-W124 HydrophobicContact CB-CZ2 3.52Å; H13-W124 HydrophobicContact CB-CZ3 4.23Å; H13-W124 AromaticContact CD2-CD1 3.66Å; H13-W124 AromaticContact CD2-NE1 3.54Å; H13-W124 AromaticContact CE1-CD1 3.4Å; H13-W124 VanDerWaalsContact CE1-CD1 3.4Å; H13-W124 AromaticContact CE1-CG 3.45Å; H13-W124 VanDerWaalsContact CE1-CG 3.45Å; H13-W124 AromaticContact CG-CD1 3.59Å; H13-W124 AromaticContact CG-CD2 3.65Å; H13-W124 AromaticContact CG-CE2 3.49Å; H13-W124 VanDerWaalsContact CG-CE2 3.49Å; H13-W124 AromaticContact CG-CG 3.74Å; H13-W124 AromaticContact CG-NE1 3.41Å; H13-W124 AromaticContact ND1-CD1 3.44Å; H13-W124 AromaticContact ND1-CD2 3.44Å; H13-W124 AromaticContact ND1-CE2 3.8Å; H13-W124 AromaticContact ND1-CG 3.22Å; H13-W124 AromaticContact ND1-NE1 3.75Å; H13-W124 AromaticContact NE2-CD1 3.54Å; H13-W124 AromaticContact NE2-NE1 3.93Å; Y120-W124 WeakPolarHBondContact O-CB 3.43Å; Y120-W124 PolarHBondContact O-N 3.31Å; A121-W124 PolarHBondContact O-N 2.99Å; E122-W124 PolarHBondContact O-N 3.42Å; W124-L127 PolarHBondContact O-N 3.02Å; W124-R128 WeakPolarHBondContact O-CB 3.45Å; W124-R128 PolarHBondContact O-N 2.93Å
125N91.1Very high91.9Very high79 Ų7992.5 Ų92.542%0.42244%0.436SS..Hα-helixtrans-64.3-42.1178.8-74.2-30.9000112A121 E122 H123 R128 Q129A121-N125 WeakPolarHBondContact O-CB 3.44Å; A121-N125 VanDerWaalsContact O-CG 3.3Å; A121-N125 PolarHBondContact O-N 3.44Å; A121-N125 PolarHBondContact O-ND2 3.46Å; A121-N125 VanDerWaalsContact O-ND2 3.16Å; E122-N125 PolarHBondContact O-N 2.84Å; H123-N125 VanDerWaalsContact C-N 3.34Å; H123-N125 PolarHBondContact O-N 3.26Å; N125-R128 PolarHBondContact O-N 3.46Å; N125-Q129 VanDerWaalsContact O-CG 3.29Å; N125-Q129 WeakPolarHBondContact O-CG 3.39Å; N125-Q129 PolarHBondContact O-N 3.05Å
126L93.8Very high91Very high99 Ų9993.2 Ų93.252%0.51844%0.443SS..Hα-helixtrans-60.9-50.2177-174.4140.8000111.3E122 H123 R128 Q129 E130E122-L126 WeakPolarHBondContact O-CB 3.25Å; E122-L126 PolarHBondContact O-N 3.43Å; H123-L126 PolarHBondContact O-N 3.31Å; L126-R128 VanDerWaalsContact C-N 3.3Å; L126-R128 PolarHBondContact O-N 3.37Å; L126-Q129 PolarHBondContact O-N 3.17Å; L126-E130 HydrophobicContact CD2-CG 4.46Å; L126-E130 WeakPolarHBondContact O-CG 3.44Å; L126-E130 PolarHBondContact O-N 2.97Å
127L90.4Very high89.6Confident115 Ų11595.4 Ų95.460%0.60245%0.448SS*.Hα-helixtrans-59.2-41.5176.8-72.7170.4000112H123 W124 E130 L131H123-L127 WeakPolarHBondContact O-CB 3.46Å; H123-L127 WeakPolarHBondContact O-CG 3.49Å; H123-L127 PolarHBondContact O-N 3.04Å; W124-L127 PolarHBondContact O-N 3.02Å; L127-E130 PolarHBondContact O-N 3.25Å; L127-L131 WeakPolarHBondContact O-CB 3.36Å; L127-L131 PolarHBondContact O-N 3.19Å
128R88.1Confident87.7Confident123 Ų12396.1 Ų96.146%0.46446%0.463SS..Hα-helixtrans-67-37.2178.7-168.1170.5-178-170.90.1112.3W124 N125 L126 N132W124-R128 WeakPolarHBondContact O-CB 3.45Å; W124-R128 PolarHBondContact O-N 2.93Å; N125-R128 PolarHBondContact O-N 3.46Å; L126-R128 VanDerWaalsContact C-N 3.3Å; L126-R128 PolarHBondContact O-N 3.37Å; R128-N132 WeakPolarHBondContact O-CB 3.46Å; R128-N132 VanDerWaalsContact O-CG 3.27Å; R128-N132 PolarHBondContact O-N 3.02Å; R128-N132 VanDerWaalsContact O-N 3.07Å; R128-N132 PolarHBondContact O-ND2 3.15Å
129Q90.7Very high85.8Confident113 Ų11399.9 Ų99.953%0.52848%0.482SS..Hα-helixtrans-65.2-46.9173.8-74175.622.800111.3N125 L126 L131 N132 K133N125-Q129 VanDerWaalsContact O-CG 3.29Å; N125-Q129 WeakPolarHBondContact O-CG 3.39Å; N125-Q129 PolarHBondContact O-N 3.05Å; L126-Q129 PolarHBondContact O-N 3.17Å; Q129-L131 PolarHBondContact O-N 3.17Å; Q129-N132 PolarHBondContact O-N 3.49Å; Q129-K133 WeakPolarHBondContact O-CG 3.33Å; Q129-K133 PolarHBondContact O-N 3.35Å
130E90.8Very high83.7Confident86 Ų86108.2 Ų108.240%0.40251%0.509SS..Hα-helixtrans-61.4-43.3177.2-68.7-51.8124.700112.2L126 L127 N132 K133 V134L126-E130 HydrophobicContact CD2-CG 4.46Å; L126-E130 WeakPolarHBondContact O-CG 3.44Å; L126-E130 PolarHBondContact O-N 2.97Å; L127-E130 PolarHBondContact O-N 3.25Å; E130-N132 VanDerWaalsContact C-N 3.33Å; E130-N132 PolarHBondContact O-N 2.88Å; E130-K133 WeakPolarHBondContact O-CB 3.44Å; E130-K133 PolarHBondContact O-N 2.8Å; E130-K133 IonicContact OE1-NZ 2.71Å; E130-K133 PolarHBondContact OE1-NZ 3.15Å; E130-V134 WeakPolarHBondContact O-CG2 3.45Å; E130-V134 PolarHBondContact O-N 2.93Å
131L86.7Confident81.6Confident113 Ų113114.5 Ų114.559%0.59254%0.54SS*.Hα-helixtrans-59.8-43.6175.1-175.369.8000112L127 Q129 V134 R135L127-L131 WeakPolarHBondContact O-CB 3.36Å; L127-L131 PolarHBondContact O-N 3.19Å; Q129-L131 PolarHBondContact O-N 3.17Å; L131-V134 PolarHBondContact O-N 3.25Å; L131-R135 WeakPolarHBondContact O-CB 3.24Å; L131-R135 PolarHBondContact O-N 3.47Å
132N86.4Confident79.5Confident52 Ų52117.3 Ų117.328%0.27856%0.564SS.*Hα-helixtrans-64-40.5176.6-77.1-29.3000112.1R128 Q129 E130 R135 N136R128-N132 WeakPolarHBondContact O-CB 3.46Å; R128-N132 VanDerWaalsContact O-CG 3.27Å; R128-N132 PolarHBondContact O-N 3.02Å; R128-N132 VanDerWaalsContact O-N 3.07Å; R128-N132 PolarHBondContact O-ND2 3.15Å; Q129-N132 PolarHBondContact O-N 3.49Å; E130-N132 VanDerWaalsContact C-N 3.33Å; E130-N132 PolarHBondContact O-N 2.88Å; N132-R135 PolarHBondContact O-N 3.34Å; N132-R135 PolarHBondContact OD1-NH2 2.92Å; N132-N136 VanDerWaalsContact O-CB 3.23Å; N132-N136 WeakPolarHBondContact O-CB 3.24Å; N132-N136 PolarHBondContact O-N 3.39Å
133K88.5Confident77Confident113 Ų113122.3 Ų122.349%0.49158%0.584SS.*Hα-helixtrans-60.4-46.2175.2-71.4172.5-171.9171.10111Q129 E130 K137Q129-K133 WeakPolarHBondContact O-CG 3.33Å; Q129-K133 PolarHBondContact O-N 3.35Å; E130-K133 WeakPolarHBondContact O-CB 3.44Å; E130-K133 PolarHBondContact O-N 2.8Å; E130-K133 IonicContact OE1-NZ 2.71Å; E130-K133 PolarHBondContact OE1-NZ 3.15Å; K133-K137 WeakPolarHBondContact O-CG 3.28Å; K133-K137 PolarHBondContact O-N 3.04Å
134V88.1Confident74.6Confident94 Ų94128.8 Ų128.857%0.5762%0.621SS**Hα-helixtrans-64.7-45.3178.1174.20000111.4E130 L131 N136 K137E130-V134 WeakPolarHBondContact O-CG2 3.45Å; E130-V134 PolarHBondContact O-N 2.93Å; L131-V134 PolarHBondContact O-N 3.25Å; V134-N136 VanDerWaalsContact C-N 3.34Å; V134-N136 PolarHBondContact O-N 2.91Å; V134-K137 PolarHBondContact O-N 3.28Å
135R81.2Confident73.8Confident174 Ų174132.7 Ų132.766%0.65764%0.643SS**Hα-helixtrans-65.2-35.3179.4-178.1173.362.5178.2-1.7113.3L131 N132L131-R135 WeakPolarHBondContact O-CB 3.24Å; L131-R135 PolarHBondContact O-N 3.47Å; N132-R135 PolarHBondContact O-N 3.34Å; N132-R135 PolarHBondContact OD1-NH2 2.92Å
136N78.2Confident72.9Confident118 Ų118135.5 Ų135.563%0.63165%0.654SS**THydrogen-bonded Turntrans-89.71-178.4-64.9-4000113N132 V134 P138N132-N136 VanDerWaalsContact O-CB 3.23Å; N132-N136 WeakPolarHBondContact O-CB 3.24Å; N132-N136 PolarHBondContact O-N 3.39Å; V134-N136 VanDerWaalsContact C-N 3.34Å; V134-N136 PolarHBondContact O-N 2.91Å; N136-P138 WeakPolarHBondContact O-CD 3.47Å
137K68.7Low71.8Confident150 Ų150137.5 Ų137.565%0.65266%0.662SS**SBendtrans-66.2117.8165.2-80.4177-177-176.20107.3K133 V134 H139K133-K137 WeakPolarHBondContact O-CG 3.28Å; K133-K137 PolarHBondContact O-N 3.04Å; V134-K137 PolarHBondContact O-N 3.28Å; K137-H139 PolarHBondContact O-N 2.92Å
138P56.8Low70.7Confident93 Ų93138.8 Ų138.860%0.60467%0.665SS**  trans-59.5142.3176.624.2-31.6000109N136 R140N136-P138 WeakPolarHBondContact O-CD 3.47Å; P138-R140 HydrophobicContact CB-CG 4.22Å; P138-R140 HydrophobicContact CG-CG 4.15Å; P138-R140 PolarHBondContact O-N 3.07Å
139H58.4Low69.6Low194 Ų194139.8 Ų139.890%0.89868%0.678SS**  trans-61.666.4160.3-72.7-6.8000109.3K137 Q141K137-H139 PolarHBondContact O-N 2.92Å; H139-Q141 VanDerWaalsContact C-N 3.34Å; H139-Q141 PolarHBondContact O-N 3.36Å
140R52.3Low68.2Low215 Ų215141.6 Ų141.681%0.81169%0.688SS**  trans-8981.4165.9-83.9-170.6176.5-167.5-0.2106.7P138P138-R140 HydrophobicContact CB-CG 4.22Å; P138-R140 HydrophobicContact CG-CG 4.15Å; P138-R140 PolarHBondContact O-N 3.07Å
141Q50.4Low66.5Low195 Ų195145.6 Ų145.691%0.91171%0.708SS**  trans157.681.8150.7-88.217114.400109.5H139H139-Q141 VanDerWaalsContact C-N 3.34Å; H139-Q141 PolarHBondContact O-N 3.36Å
142A48.7Very low65Low78 Ų78148.1 Ų148.165%0.64572%0.717SS**SBendtrans174.2101.6158.900000103.9
143F44.6Very low63.2Low203 Ų203156.1 Ų156.189%0.8975%0.754SS**  cis-145.9136.428.5-78.1-104000108.3
144L42.5Very low60.9Low246 Ų246160 Ų160100%1.28878%0.778SS**  trans-75.90148-81.9164.7000107.9

Retrieved 144 of 144 residues in 351.6 ms (Link to these results)

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