A0A077Z3G4_TRITR Loading...

Tetratricopeptide repeat protein 27

AlphaFold DB , UniProt , Accession A0A077Z3G4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 789 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
1M29.8Very low58.6Low233 Ų233119.2 Ų119.2100%1.14863%0.625SS**  0104.90-70.8-177.7-174.100107
2N30.5Very low61Low163 Ų163111.6 Ų111.687%0.87259%0.585SS**  trans171.272.4162.7-88-5.3000103.3D4N2-D4 PolarHBondContact O-N 3.47Å
3Y35.6Very low63.1Low235 Ų235106.8 Ų106.892%0.92255%0.554SS**  trans-66.6118.6175.9-103.5-96.6000107G5Y3-G5 PolarHBondContact O-N 2.98Å
4D49.4Very low65Low121 Ų121108.2 Ų108.265%0.64756%0.557SS**  trans-61.942.8173.2-92.5-31.7000113.1N2 D6 S7 N8N2-D4 PolarHBondContact O-N 3.47Å; D4-D6 PolarHBondContact O-N 3.31Å; D4-S7 PolarHBondContact O-N 3.16Å; D4-S7 VanDerWaalsContact O-N 3.17Å; D4-N8 PolarHBondContact O-N 3.45Å
5G55.2Low66.7Low46 Ų46104.3 Ų104.347%0.47454%0.537SS..Hα-helixtrans-56.9-36.6-175.600000112.7Y3 S9Y3-G5 PolarHBondContact O-N 2.98Å; G5-S9 PolarHBondContact O-N 3.27Å; G5-S9 VanDerWaalsContact O-N 3.1Å
6D59.2Low68.3Low130 Ų13098.1 Ų98.170%0.69551%0.505SS*.Hα-helixtrans-74.4-34.7-179.4-132.515.3000112.7D4 S9 V10D4-D6 PolarHBondContact O-N 3.31Å; D6-S9 PolarHBondContact O-OG 3.03Å; D6-V10 VanDerWaalsContact O-CG2 3.24Å; D6-V10 WeakPolarHBondContact O-CG2 3.49Å; D6-V10 PolarHBondContact O-N 2.83Å; D6-V10 VanDerWaalsContact O-N 3.12Å
7S66.1Low69.7Low49 Ų4994.3 Ų94.334%0.34348%0.484SS..Hα-helixtrans-68.2-40.7176.7-176.50000111.5D4 K11D4-S7 PolarHBondContact O-N 3.16Å; D4-S7 VanDerWaalsContact O-N 3.17Å; S7-K11 WeakPolarHBondContact O-CG 3.1Å; S7-K11 PolarHBondContact O-N 3.3Å; S7-K11 VanDerWaalsContact O-N 3.08Å
8N73Confident70.9Confident104 Ų10493.7 Ų93.756%0.55648%0.482SS*.Hα-helixtrans-70.1-38.8177.4-79.2-15.9000112.3D4 K11 M12D4-N8 PolarHBondContact O-N 3.45Å; N8-K11 PolarHBondContact O-N 3.14Å; N8-M12 VanDerWaalsContact O-CB 3.32Å; N8-M12 WeakPolarHBondContact O-CB 3.48Å; N8-M12 PolarHBondContact O-N 2.93Å
9S77.8Confident72.1Confident48 Ų4888.8 Ų88.834%0.33646%0.457SS..Hα-helixtrans-63.3-43.4176.872.80000111.4G5 D6 M12 R13G5-S9 PolarHBondContact O-N 3.27Å; G5-S9 VanDerWaalsContact O-N 3.1Å; D6-S9 PolarHBondContact O-OG 3.03Å; S9-M12 PolarHBondContact O-N 3.3Å; S9-R13 WeakPolarHBondContact O-CB 2.92Å; S9-R13 PolarHBondContact O-N 3.21Å
10V82.9Confident73.1Confident56 Ų5685 Ų8534%0.33944%0.437SS..Hα-helixtrans-64.6-45.2177.7172.30000111.6D6 M12 R13 Q14D6-V10 VanDerWaalsContact O-CG2 3.24Å; D6-V10 WeakPolarHBondContact O-CG2 3.49Å; D6-V10 PolarHBondContact O-N 2.83Å; D6-V10 VanDerWaalsContact O-N 3.12Å; V10-M12 VanDerWaalsContact C-N 3.32Å; V10-M12 PolarHBondContact O-N 3.27Å; V10-R13 PolarHBondContact O-N 3.46Å; V10-Q14 WeakPolarHBondContact O-CG 3.47Å; V10-Q14 PolarHBondContact O-N 3.5Å
11K85.5Confident73.8Confident126 Ų12682.9 Ų82.955%0.54843%0.427SS..Hα-helixtrans-61.7-41.1175.8-75.3176.5-176.6175.40112.1S7 N8 Q14 L15S7-K11 WeakPolarHBondContact O-CG 3.1Å; S7-K11 PolarHBondContact O-N 3.3Å; S7-K11 VanDerWaalsContact O-N 3.08Å; N8-K11 PolarHBondContact O-N 3.14Å; K11-Q14 PolarHBondContact O-N 3.43Å; K11-L15 WeakPolarHBondContact O-CB 3.31Å; K11-L15 PolarHBondContact O-N 3.49Å
12M87.1Confident76.4Confident28 Ų2874 Ų7414%0.13838%0.384CS..Hα-helixtrans-64-43.4177.3-165.564-141.200110.9N8 S9 V10 Q14 L15 E16 V59 F140N8-M12 VanDerWaalsContact O-CB 3.32Å; N8-M12 WeakPolarHBondContact O-CB 3.48Å; N8-M12 PolarHBondContact O-N 2.93Å; S9-M12 PolarHBondContact O-N 3.3Å; V10-M12 VanDerWaalsContact C-N 3.32Å; V10-M12 PolarHBondContact O-N 3.27Å; M12-Q14 PolarHBondContact O-N 3.47Å; M12-L15 HydrophobicContact CE-CD2 3.93Å; M12-L15 WeakPolarHBondContact O-CB 3.47Å; M12-L15 PolarHBondContact O-N 3.48Å; M12-L15 HydrophobicContact SD-CD2 4.2Å; M12-E16 HydrophobicContact CE-CG 3.89Å; M12-E16 WeakPolarHBondContact O-CG 3.28Å; M12-E16 PolarHBondContact O-N 3.3Å; M12-V59 HydrophobicContact SD-CG2 4.33Å; M12-F140 HydrophobicContact CE-CD1 3.41Å; M12-F140 VanDerWaalsContact CE-CD1 3.41Å; M12-F140 HydrophobicContact CE-CE1 3.32Å
13R88.1Confident78.8Confident50 Ų5066.8 Ų66.819%0.18935%0.348CS..Hα-helixtrans-60.5-45.7175.6-166.1-171.5-53.2149.38.5112.4S9 V10 L15 E16 E17 E185 F186S9-R13 WeakPolarHBondContact O-CB 2.92Å; S9-R13 PolarHBondContact O-N 3.21Å; V10-R13 PolarHBondContact O-N 3.46Å; R13-L15 VanDerWaalsContact C-N 3.31Å; R13-L15 PolarHBondContact O-N 3.34Å; R13-E16 PolarHBondContact O-N 3.02Å; R13-E17 VanDerWaalsContact O-CB 3.27Å; R13-E17 WeakPolarHBondContact O-CB 3.32Å; R13-E17 PolarHBondContact O-N 3.23Å; R13-E185 WeakPolarHBondContact CD-O 3.4Å; R13-E185 VanDerWaalsContact CZ-CB 3.45Å; R13-E185 IonicContact CZ-OE1 2.88Å; R13-E185 IonicContact CZ-OE2 3.38Å; R13-E185 IonicContact NE-OE2 2.67Å; R13-E185 PolarHBondContact NE-OE2 2.83Å; R13-E185 IonicContact NH2-OE1 3.32Å; R13-E185 PolarHBondContact NH2-OE1 3.28Å; R13-E185 IonicContact NH2-OE2 2.85Å; R13-E185 PolarHBondContact NH2-OE2 2.86Å; R13-F186 HydrophobicContact CG-CD1 4.22Å; R13-F186 HydrophobicContact CG-CD2 4.49Å; R13-F186 HydrophobicContact CG-CE1 3.83Å; R13-F186 HydrophobicContact CG-CE2 4.13Å; R13-F186 HydrophobicContact CG-CZ 3.78Å
14Q89.2Confident81.1Confident126 Ų12657.1 Ų57.159%0.58931%0.314SS*.Hα-helixtrans-60.9-40.6176.4-74.4176.7-11.200112V10 K11 M12 E17 D18V10-Q14 WeakPolarHBondContact O-CG 3.47Å; V10-Q14 PolarHBondContact O-N 3.5Å; K11-Q14 PolarHBondContact O-N 3.43Å; M12-Q14 PolarHBondContact O-N 3.47Å; Q14-E17 PolarHBondContact O-N 2.89Å; Q14-D18 WeakPolarHBondContact O-CB 3.49Å; Q14-D18 PolarHBondContact O-N 3.22Å
15L90.5Very high82.5Confident50 Ų5052.8 Ų52.826%0.26229%0.29SS..Hα-helixtrans-63.8-47.3174.7176.365.9000111.5K11 M12 R13 E17 D18 M19 V59K11-L15 WeakPolarHBondContact O-CB 3.31Å; K11-L15 PolarHBondContact O-N 3.49Å; M12-L15 HydrophobicContact CE-CD2 3.93Å; M12-L15 WeakPolarHBondContact O-CB 3.47Å; M12-L15 PolarHBondContact O-N 3.48Å; M12-L15 HydrophobicContact SD-CD2 4.2Å; R13-L15 VanDerWaalsContact C-N 3.31Å; R13-L15 PolarHBondContact O-N 3.34Å; L15-E17 VanDerWaalsContact C-N 3.32Å; L15-E17 PolarHBondContact O-N 3.16Å; L15-D18 PolarHBondContact O-N 3.12Å; L15-M19 HydrophobicContact CG-CE 3.97Å; L15-M19 WeakPolarHBondContact O-CG 3.45Å; L15-M19 PolarHBondContact O-N 3.32Å; L15-M19 VanDerWaalsContact O-N 3.07Å; L15-V59 HydrophobicContact CD2-CG1 4.2Å
16E93.2Very high84Confident5 Ų554.8 Ų54.82%0.02330%0.297CS..Hα-helixtrans-61.3-41.1177-72.2-170.4-101.500112.1M12 R13 M19 L20 A141 T142 F186M12-E16 HydrophobicContact CE-CG 3.89Å; M12-E16 WeakPolarHBondContact O-CG 3.28Å; M12-E16 PolarHBondContact O-N 3.3Å; R13-E16 PolarHBondContact O-N 3.02Å; E16-M19 HydrophobicContact CG-CE 4.26Å; E16-M19 PolarHBondContact O-N 3.28Å; E16-L20 WeakPolarHBondContact O-CG 3.44Å; E16-L20 PolarHBondContact O-N 3.45Å; E16-A141 PolarHBondContact OE1-N 2.88Å; E16-A141 PolarHBondContact OE2-N 3.09Å; E16-A141 VanDerWaalsContact OE2-N 3.12Å; E16-T142 HydrophobicContact CB-CG2 3.9Å; E16-T142 HydrophobicContact CG-CG2 4.48Å; E16-T142 VanDerWaalsContact OE2-CB 3.25Å; E16-T142 WeakPolarHBondContact OE2-CB 3.4Å; E16-T142 VanDerWaalsContact OE2-CG2 3.32Å; E16-T142 WeakPolarHBondContact OE2-CG2 3.21Å; E16-T142 PolarHBondContact OE2-N 2.99Å; E16-T142 PolarHBondContact OE2-OG1 2.92Å; E16-F186 HydrophobicContact CB-CE1 4.06Å; E16-F186 HydrophobicContact CB-CZ 4.18Å
17E92.3Very high85.6Confident33 Ų3349.5 Ų49.515%0.15427%0.269CS..Hα-helixtrans-64.9-46.8178177.6154.9-164.700112.6R13 Q14 L15 M19 L20 L21 F186 T187 V190R13-E17 VanDerWaalsContact O-CB 3.27Å; R13-E17 WeakPolarHBondContact O-CB 3.32Å; R13-E17 PolarHBondContact O-N 3.23Å; Q14-E17 PolarHBondContact O-N 2.89Å; L15-E17 VanDerWaalsContact C-N 3.32Å; L15-E17 PolarHBondContact O-N 3.16Å; E17-M19 VanDerWaalsContact C-N 3.31Å; E17-M19 PolarHBondContact O-N 2.64Å; E17-L20 PolarHBondContact O-N 3.24Å; E17-L20 VanDerWaalsContact O-N 3.14Å; E17-L21 HydrophobicContact CG-CD1 3.94Å; E17-L21 WeakPolarHBondContact O-CG 3.4Å; E17-L21 PolarHBondContact O-N 3.36Å; E17-F186 HydrophobicContact CB-CD1 4.09Å; E17-F186 HydrophobicContact CB-CE1 4.16Å; E17-T187 WeakPolarHBondContact OE1-CB 3.07Å; E17-T187 WeakPolarHBondContact OE1-CG2 3.41Å; E17-T187 PolarHBondContact OE1-OG1 2.89Å; E17-V190 HydrophobicContact CG-CG2 3.85Å
18D91.3Very high86.8Confident83 Ų8349.1 Ų49.144%0.44427%0.266SS..Hα-helixtrans-58.7-44.6175-178.454.7000111.4Q14 L15 L20 L21 N22Q14-D18 WeakPolarHBondContact O-CB 3.49Å; Q14-D18 PolarHBondContact O-N 3.22Å; L15-D18 PolarHBondContact O-N 3.12Å; D18-L20 VanDerWaalsContact C-N 3.32Å; D18-L20 PolarHBondContact O-N 3Å; D18-L21 PolarHBondContact O-N 3.44Å; D18-N22 WeakPolarHBondContact O-CB 3.03Å; D18-N22 PolarHBondContact O-N 2.67Å; D18-N22 PolarHBondContact OD1-ND2 3.13Å
19M93.7Very high87.6Confident2 Ų246.9 Ų46.91%0.0126%0.262CS..Hα-helixtrans-61.7-38175.7-74.9-171.7-61.100112.7L15 E16 E17 G23 V24 F62 R63 V66 W146L15-M19 HydrophobicContact CG-CE 3.97Å; L15-M19 WeakPolarHBondContact O-CG 3.45Å; L15-M19 PolarHBondContact O-N 3.32Å; L15-M19 VanDerWaalsContact O-N 3.07Å; E16-M19 HydrophobicContact CG-CE 4.26Å; E16-M19 PolarHBondContact O-N 3.28Å; E17-M19 VanDerWaalsContact C-N 3.31Å; E17-M19 PolarHBondContact O-N 2.64Å; M19-G23 WeakPolarHBondContact O-CA 3.43Å; M19-G23 PolarHBondContact O-N 3.1Å; M19-V24 HydrophobicContact CG-CG2 4.01Å; M19-V24 HydrophobicContact SD-CG2 4.45Å; M19-F62 HydrophobicContact CE-CD1 3.81Å; M19-F62 HydrophobicContact CE-CE1 3.53Å; M19-F62 HydrophobicContact SD-CD1 4.42Å; M19-F62 HydrophobicContact SD-CE1 4.43Å; M19-R63 HydrophobicContact SD-CG 3.86Å; M19-V66 HydrophobicContact CB-CG1 4.21Å; M19-V66 HydrophobicContact CG-CG1 4.38Å; M19-V66 HydrophobicContact SD-CB 4.27Å; M19-V66 HydrophobicContact SD-CG1 4.26Å; M19-V66 HydrophobicContact SD-CG2 4.1Å; M19-W146 HydrophobicContact CB-CZ2 4.07Å; M19-W146 WeakPolarHBondContact O-CH2 3.5Å; M19-W146 WeakPolarHBondContact O-CZ2 3.16Å
20L91.3Very high88.3Confident11 Ų1152.5 Ų52.56%0.05828%0.283CS..Hα-helixtrans-68.8-40179.3-79.4-177.5000113.1E16 E17 D18 T142 L145 W146 R149 V190E16-L20 WeakPolarHBondContact O-CG 3.44Å; E16-L20 PolarHBondContact O-N 3.45Å; E17-L20 PolarHBondContact O-N 3.24Å; E17-L20 VanDerWaalsContact O-N 3.14Å; D18-L20 VanDerWaalsContact C-N 3.32Å; D18-L20 PolarHBondContact O-N 3Å; L20-T142 HydrophobicContact CD1-CG2 3.43Å; L20-T142 VanDerWaalsContact CD1-CG2 3.43Å; L20-T142 HydrophobicContact CG-CG2 4.11Å; L20-L145 HydrophobicContact CD1-CD2 3.75Å; L20-L145 HydrophobicContact CD2-CD2 3.38Å; L20-L145 HydrophobicContact CD2-CG 4.09Å; L20-L145 HydrophobicContact CG-CD2 4.23Å; L20-W146 HydrophobicContact CD2-CD2 4.41Å; L20-W146 HydrophobicContact CD2-CH2 4.43Å; L20-W146 HydrophobicContact CD2-CZ2 3.63Å; L20-W146 HydrophobicContact CG-CZ2 4.3Å; L20-R149 PolarHBondContact O-NH1 3.37Å; L20-R149 PolarHBondContact O-NH2 3.06Å; L20-V190 HydrophobicContact CD1-CG1 3.67Å
21L88.1Confident88.7Confident41 Ų4152.9 Ų52.922%0.21528%0.283CS..Hα-helixtrans-82.7-42-175.4-65.4177000112.3E17 D18 K189 V190 L193E17-L21 HydrophobicContact CG-CD1 3.94Å; E17-L21 WeakPolarHBondContact O-CG 3.4Å; E17-L21 PolarHBondContact O-N 3.36Å; D18-L21 PolarHBondContact O-N 3.44Å; L21-K189 HydrophobicContact CD2-CD 4.08Å; L21-K189 HydrophobicContact CD2-CG 3.99Å; L21-V190 HydrophobicContact CD1-CG2 4.28Å; L21-V190 HydrophobicContact CD2-CG2 3.93Å; L21-V190 HydrophobicContact CG-CG2 4.06Å; L21-L193 HydrophobicContact CD2-CD1 3.77Å
22N83.8Confident89.1Confident46 Ų4647.9 Ų47.925%0.24626%0.261CS..Hα-helixtrans-107.5-22.1-172.4-65.4-53.2000113.6D18D18-N22 WeakPolarHBondContact O-CB 3.03Å; D18-N22 PolarHBondContact O-N 2.67Å; D18-N22 PolarHBondContact OD1-ND2 3.13Å
23G81.5Confident89.3Confident12 Ų1249.8 Ų49.812%0.12428%0.282CS..  trans66.3179.6-170.500000113.2M19M19-G23 WeakPolarHBondContact O-CA 3.43Å; M19-G23 PolarHBondContact O-N 3.1Å
24V83.1Confident89.5Confident33 Ų3350.2 Ų50.220%0.229%0.285CS..  trans-119.397.6171.9-176.50000108.4M19 V66 A67 S70M19-V24 HydrophobicContact CG-CG2 4.01Å; M19-V24 HydrophobicContact SD-CG2 4.45Å; V24-V66 HydrophobicContact CB-CG1 4.48Å; V24-V66 HydrophobicContact CG2-CG1 4.12Å; V24-A67 HydrophobicContact CB-CB 3.68Å; V24-A67 HydrophobicContact CG1-CB 3.57Å; V24-A67 VanDerWaalsContact O-CA 3.31Å; V24-A67 WeakPolarHBondContact O-CA 3.22Å; V24-S70 PolarHBondContact N-OG 3.4Å; V24-S70 WeakPolarHBondContact O-CB 2.93Å
25L80.1Confident89.7Confident29 Ų2945.2 Ų45.215%0.15226%0.263CS..  trans-94.3-3.4-167.8-59.7170.6000114V384 F388L25-V384 HydrophobicContact CD1-CG1 4.16Å; L25-F388 HydrophobicContact CD1-CB 3.86Å; L25-F388 HydrophobicContact CD1-CD1 4.21Å; L25-F388 HydrophobicContact CD1-CG 3.98Å; L25-F388 HydrophobicContact CD2-CB 4.17Å; L25-F388 HydrophobicContact CD2-CD1 3.86Å; L25-F388 HydrophobicContact CD2-CD2 3.37Å; L25-F388 HydrophobicContact CD2-CE1 4.07Å; L25-F388 HydrophobicContact CD2-CE2 3.58Å; L25-F388 HydrophobicContact CD2-CG 3.52Å; L25-F388 HydrophobicContact CD2-CZ 3.93Å; L25-F388 HydrophobicContact CG-CD1 4.42Å; L25-F388 HydrophobicContact CG-CG 4.3Å
26S86.5Confident89.7Confident88 Ų8844.7 Ų44.762%0.61527%0.269SS*.  trans-109.1130.7175.454.30000109.6
27L92.6Very high89.5Confident19 Ų1950.9 Ų50.910%0.09931%0.31CS..  trans-131143.8168.4-80.1174.3000108.2D31 F32 L64 A67 C71 F86 L121L27-D31 HydrophobicContact CD2-CB 4.19Å; L27-F32 HydrophobicContact CD2-CE2 4.21Å; L27-L64 HydrophobicContact CD2-CD1 3.71Å; L27-A67 HydrophobicContact CD1-CB 4.48Å; L27-A67 HydrophobicContact CD2-CB 3.53Å; L27-A67 HydrophobicContact CG-CB 3.99Å; L27-C71 HydrophobicContact CD1-CB 3.93Å; L27-C71 VanDerWaalsContact CD1-SG 3.59Å; L27-F86 HydrophobicContact CB-CE1 4.49Å; L27-F86 HydrophobicContact CB-CE2 4.16Å; L27-F86 HydrophobicContact CB-CZ 3.58Å; L27-F86 WeakPolarHBondContact O-CE1 3.05Å; L27-F86 WeakPolarHBondContact O-CZ 3.35Å; L27-L121 HydrophobicContact CD1-CD2 3.84Å
28S92.2Very high89.4Confident41 Ų4150.3 Ų50.329%0.28731%0.309SS..  trans-137.1171.3178.870.20000109.9E30 D31 F32 F86S28-E30 PolarHBondContact O-N 3.28Å; S28-E30 PolarHBondContact OG-N 2.94Å; S28-D31 PolarHBondContact N-OD2 3.3Å; S28-D31 PolarHBondContact O-N 3.21Å; S28-D31 PolarHBondContact OG-OD2 3.02Å; S28-F32 WeakPolarHBondContact O-CD2 3.5Å; S28-F86 VanDerWaalsContact C-CD2 3.41Å
29A89Confident89.4Confident58 Ų5854.1 Ų54.148%0.47932%0.324SS..SBendtrans-64.4-27.317300000112.2D31 F32 A33 F86A29-D31 VanDerWaalsContact C-N 3.29Å; A29-D31 PolarHBondContact O-N 3.44Å; A29-F32 PolarHBondContact O-N 3.1Å; A29-F32 VanDerWaalsContact O-N 3.17Å; A29-A33 PolarHBondContact O-N 3.45Å; A29-F86 HydrophobicContact CB-CD2 4.5Å
30E91.7Very high89.3Confident165 Ų16556.7 Ų56.777%0.77134%0.338SS*.G310 helixtrans-64.7-34.5179.9-62-179.517700112S28 F32 A33S28-E30 PolarHBondContact O-N 3.28Å; S28-E30 PolarHBondContact OG-N 2.94Å; E30-F32 PolarHBondContact O-N 3.25Å; E30-F32 VanDerWaalsContact O-N 3.15Å; E30-A33 WeakPolarHBondContact O-CB 3.34Å; E30-A33 PolarHBondContact O-N 3.26Å; E30-A33 VanDerWaalsContact O-N 3.1Å
31D92.5Very high89.3Confident65 Ų6557.2 Ų57.235%0.34834%0.341SS..G310 helixtrans-62.7-22.6177.8-61.1-64.6000112.5L27 S28 A29 F34 L64L27-D31 HydrophobicContact CD2-CB 4.19Å; S28-D31 PolarHBondContact N-OD2 3.3Å; S28-D31 PolarHBondContact O-N 3.21Å; S28-D31 PolarHBondContact OG-OD2 3.02Å; A29-D31 VanDerWaalsContact C-N 3.29Å; A29-D31 PolarHBondContact O-N 3.44Å; D31-F34 WeakPolarHBondContact O-CD1 3.46Å; D31-F34 WeakPolarHBondContact O-CE1 3.5Å; D31-L64 HydrophobicContact CB-CD1 4.21Å
32F93.3Very high89.5Confident20 Ų2062.4 Ų62.49%0.08836%0.364CS..G310 helixtrans-101.8-9.5178.2-63.8-90.2000113.3L27 S28 A29 E30 F34 L35 F44 L64 F86 L87L27-F32 HydrophobicContact CD2-CE2 4.21Å; S28-F32 WeakPolarHBondContact O-CD2 3.5Å; A29-F32 PolarHBondContact O-N 3.1Å; A29-F32 VanDerWaalsContact O-N 3.17Å; E30-F32 PolarHBondContact O-N 3.25Å; E30-F32 VanDerWaalsContact O-N 3.15Å; F32-F34 PolarHBondContact O-N 2.87Å; F32-F34 VanDerWaalsContact O-N 3.1Å; F32-L35 HydrophobicContact CB-CD1 4.5Å; F32-L35 HydrophobicContact CD1-CD1 4.16Å; F32-L35 WeakPolarHBondContact O-CB 3.5Å; F32-L35 PolarHBondContact O-N 3.22Å; F32-F44 HydrophobicContact CD1-CE2 4.15Å; F32-F44 AromaticContact CD1-CZ 3.69Å; F32-F44 HydrophobicContact CD1-CZ 3.69Å; F32-F44 AromaticContact CE1-CZ 4Å; F32-F44 HydrophobicContact CE1-CZ 4Å; F32-L64 HydrophobicContact CD1-CD1 4.3Å; F32-L64 HydrophobicContact CD1-CD2 3.84Å; F32-L64 HydrophobicContact CE1-CD1 3.8Å; F32-L64 HydrophobicContact CE1-CD2 3.9Å; F32-L64 HydrophobicContact CE1-CG 4.23Å; F32-L64 HydrophobicContact CE2-CD1 4.01Å; F32-L64 HydrophobicContact CZ-CD1 3.65Å; F32-F86 HydrophobicContact CE2-CE2 4.12Å; F32-L87 HydrophobicContact CD2-CD2 3.97Å; F32-L87 HydrophobicContact CE1-CD2 4.38Å; F32-L87 HydrophobicContact CE2-CD2 3.56Å; F32-L87 HydrophobicContact CZ-CD2 3.76Å
33A91.8Very high90Very high69 Ų6964.1 Ų64.157%0.5737%0.371SS*.G310 helixtrans-60.8-28.2-169.700000113.7A29 E30 L35 G36A29-A33 PolarHBondContact O-N 3.45Å; E30-A33 WeakPolarHBondContact O-CB 3.34Å; E30-A33 PolarHBondContact O-N 3.26Å; E30-A33 VanDerWaalsContact O-N 3.1Å; A33-L35 PolarHBondContact O-N 3.15Å; A33-G36 PolarHBondContact O-N 2.63Å; A33-G36 VanDerWaalsContact O-N 3.14Å
34F92.7Very high90.6Very high59 Ų5964 Ų6426%0.25937%0.367SS..G310 helixtrans-67.6-16.1179.377.2-87.6000114D31 F32 G36 A51 Q57 T60 L64D31-F34 WeakPolarHBondContact O-CD1 3.46Å; D31-F34 WeakPolarHBondContact O-CE1 3.5Å; F32-F34 PolarHBondContact O-N 2.87Å; F32-F34 VanDerWaalsContact O-N 3.1Å; F34-G36 PolarHBondContact O-N 3.41Å; F34-A51 HydrophobicContact CD2-CB 4.5Å; F34-A51 HydrophobicContact CE2-CB 3.73Å; F34-Q57 HydrophobicContact CD2-CG 4.48Å; F34-T60 HydrophobicContact CD1-CG2 3.73Å; F34-T60 HydrophobicContact CE1-CG2 3.55Å; F34-T60 HydrophobicContact CE2-CG2 4.49Å; F34-T60 HydrophobicContact CG-CG2 4.29Å; F34-T60 HydrophobicContact CZ-CG2 3.97Å; F34-L64 HydrophobicContact CE1-CD2 3.82Å; F34-L64 HydrophobicContact CZ-CD2 4.08Å
35L92.3Very high91.1Very high21 Ų2163.9 Ų63.911%0.1136%0.364CS..G310 helixtrans-76.4-14.2175.4-59.9173.2000112.4F32 A33 F44 A47 Y48 A51F32-L35 HydrophobicContact CB-CD1 4.5Å; F32-L35 HydrophobicContact CD1-CD1 4.16Å; F32-L35 WeakPolarHBondContact O-CB 3.5Å; F32-L35 PolarHBondContact O-N 3.22Å; A33-L35 PolarHBondContact O-N 3.15Å; L35-F44 HydrophobicContact CD1-CD2 4.39Å; L35-F44 HydrophobicContact CD1-CE2 3.62Å; L35-F44 HydrophobicContact CD1-CZ 3.78Å; L35-A47 HydrophobicContact CB-CB 4.36Å; L35-Y48 HydrophobicContact CD1-CD2 3.79Å; L35-Y48 HydrophobicContact CD2-CD2 3.87Å; L35-Y48 HydrophobicContact CG-CD2 4.47Å; L35-A51 HydrophobicContact CD2-CB 3.87Å
36G90.2Very high91.7Very high39 Ų3967.2 Ų67.240%0.40239%0.386SS..  trans75.4-179.2-171.600000112.7A33 F34A33-G36 PolarHBondContact O-N 2.63Å; A33-G36 VanDerWaalsContact O-N 3.14Å; F34-G36 PolarHBondContact O-N 3.41Å
37P89.1Confident92Very high134 Ų13464.2 Ų64.287%0.8737%0.366SS*.  trans-68.9145.5175.929.8-33.6000110.7
38S91.2Very high92Very high21 Ų2163.3 Ų63.315%0.14736%0.361CS..  trans-138.2140.9170.8-520000108.3F90S38-F90 WeakPolarHBondContact O-CE1 3.36Å; S38-F90 VanDerWaalsContact O-CZ 3.25Å; S38-F90 WeakPolarHBondContact O-CZ 3.49Å
39E90Very high91.9Very high163 Ų16364.7 Ų64.776%0.76236%0.362SS*.SBendtrans-93.5-21-179.2-61.7-171.6173.500112.4E43E39-E43 PolarHBondContact N-OE2 2.85Å
40N92.3Very high92Very high56 Ų5671.3 Ų71.330%0.29938%0.375SS..SBendtrans-149.8172.8-175.959.762.1000112.1E42 E43 F44 F90N40-E42 VanDerWaalsContact C-N 3.31Å; N40-E42 PolarHBondContact O-N 3.14Å; N40-E42 WeakPolarHBondContact OD1-CB 3.43Å; N40-E42 PolarHBondContact OD1-N 3.27Å; N40-E42 VanDerWaalsContact OD1-N 3.09Å; N40-E43 PolarHBondContact ND2-OE1 3.38Å; N40-E43 VanDerWaalsContact ND2-OE1 3.13Å; N40-E43 PolarHBondContact OD1-N 3.18Å; N40-F44 WeakPolarHBondContact O-CB 3.12Å; N40-F44 PolarHBondContact O-N 2.91Å; N40-F44 VanDerWaalsContact O-N 3.13Å; N40-F90 VanDerWaalsContact C-CD2 3.5Å; N40-F90 VanDerWaalsContact C-CE2 3.44Å; N40-F90 WeakPolarHBondContact O-CE2 3.35Å
41L92.2Very high92Very high22 Ų2263.5 Ų63.512%0.11534%0.338CS..Hα-helixtrans-63.3-33.7-178.9179.963.1000113F44 E45 L91 I100 I120 L123 W127L41-F44 PolarHBondContact O-N 2.96Å; L41-E45 WeakPolarHBondContact O-CB 2.89Å; L41-E45 PolarHBondContact O-N 3.13Å; L41-L91 HydrophobicContact CD1-CD2 3.6Å; L41-I100 HydrophobicContact CD2-CD1 4.48Å; L41-I100 HydrophobicContact CD2-CG1 3.85Å; L41-I120 HydrophobicContact CD1-CD1 4.02Å; L41-L123 HydrophobicContact CD1-CD2 4.37Å; L41-W127 HydrophobicContact CD1-CH2 4.06Å
42E91.5Very high91.8Very high151 Ų15160.8 Ų60.871%0.70632%0.324SS*.Hα-helixtrans-69.3-46.8-178.3-62.5-177.7178.700111.1N40 F44 E45 V46N40-E42 VanDerWaalsContact C-N 3.31Å; N40-E42 PolarHBondContact O-N 3.14Å; N40-E42 WeakPolarHBondContact OD1-CB 3.43Å; N40-E42 PolarHBondContact OD1-N 3.27Å; N40-E42 VanDerWaalsContact OD1-N 3.09Å; E42-F44 VanDerWaalsContact C-N 3.3Å; E42-F44 PolarHBondContact O-N 2.9Å; E42-E45 PolarHBondContact O-N 2.87Å; E42-V46 WeakPolarHBondContact O-CG2 3.48Å; E42-V46 PolarHBondContact O-N 3.3Å
43E94.8Very high91.5Very high81 Ų8164.1 Ų64.138%0.37935%0.346SS..Hα-helixtrans-59.8-42.4173.6-75.1173.5-160.700111.6E39 N40 V46 A47E39-E43 PolarHBondContact N-OE2 2.85Å; N40-E43 PolarHBondContact ND2-OE1 3.38Å; N40-E43 VanDerWaalsContact ND2-OE1 3.13Å; N40-E43 PolarHBondContact OD1-N 3.18Å; E43-V46 PolarHBondContact O-N 3.48Å; E43-A47 WeakPolarHBondContact O-CB 3.39Å; E43-A47 PolarHBondContact O-N 3.12Å
44F94Very high91.3Very high11 Ų1163.7 Ų63.75%0.04833%0.334CS..Hα-helixtrans-62.9-43.3176.8-173.5-95.6000111.8F32 L35 N40 L41 E42 A47 Y48 F90 L91 V124 W127F32-F44 HydrophobicContact CD1-CE2 4.15Å; F32-F44 AromaticContact CD1-CZ 3.69Å; F32-F44 HydrophobicContact CD1-CZ 3.69Å; F32-F44 AromaticContact CE1-CZ 4Å; F32-F44 HydrophobicContact CE1-CZ 4Å; L35-F44 HydrophobicContact CD1-CD2 4.39Å; L35-F44 HydrophobicContact CD1-CE2 3.62Å; L35-F44 HydrophobicContact CD1-CZ 3.78Å; N40-F44 WeakPolarHBondContact O-CB 3.12Å; N40-F44 PolarHBondContact O-N 2.91Å; N40-F44 VanDerWaalsContact O-N 3.13Å; L41-F44 PolarHBondContact O-N 2.96Å; E42-F44 VanDerWaalsContact C-N 3.3Å; E42-F44 PolarHBondContact O-N 2.9Å; F44-A47 PolarHBondContact O-N 3.29Å; F44-Y48 VanDerWaalsContact O-CB 3.3Å; F44-Y48 WeakPolarHBondContact O-CB 3.41Å; F44-Y48 PolarHBondContact O-N 3.28Å; F44-F90 HydrophobicContact CB-CE2 4.29Å; F44-L91 HydrophobicContact CD1-CD1 4.35Å; F44-L91 HydrophobicContact CD1-CD2 4.23Å; F44-L91 HydrophobicContact CD2-CD1 4.26Å; F44-L91 HydrophobicContact CE1-CD1 4.21Å; F44-L91 HydrophobicContact CE2-CD1 4.11Å; F44-L91 HydrophobicContact CG-CD1 4.36Å; F44-L91 HydrophobicContact CG-CD2 4.35Å; F44-L91 HydrophobicContact CZ-CD1 4.08Å; F44-V124 HydrophobicContact CE1-CG2 4.22Å; F44-W127 HydrophobicContact CD1-CH2 4.21Å; F44-W127 AromaticContact CD1-CZ3 3.89Å; F44-W127 HydrophobicContact CD1-CZ3 3.89Å; F44-W127 AromaticContact CE1-CZ3 3.94Å; F44-W127 HydrophobicContact CE1-CZ3 3.94Å
45E92.5Very high90.9Very high29 Ų2968.2 Ų68.214%0.13636%0.356CS..Hα-helixtrans-62.2-43.5175.3178.8166.3-165.600111.6L41 E42 Y48 K49 H104 W127L41-E45 WeakPolarHBondContact O-CB 2.89Å; L41-E45 PolarHBondContact O-N 3.13Å; E42-E45 PolarHBondContact O-N 2.87Å; E45-Y48 PolarHBondContact O-N 2.93Å; E45-K49 HydrophobicContact CG-CD 4.04Å; E45-K49 HydrophobicContact CG-CG 4.44Å; E45-K49 WeakPolarHBondContact O-CB 3.33Å; E45-K49 WeakPolarHBondContact O-CG 3.28Å; E45-K49 PolarHBondContact O-N 3.33Å; E45-K49 WeakPolarHBondContact OE1-CE 3.45Å; E45-K49 IonicContact OE1-NZ 2.98Å; E45-K49 PolarHBondContact OE1-NZ 3.24Å; E45-H104 IonicContact OE2-CE1 3.22Å; E45-H104 IonicContact OE2-ND1 3.96Å; E45-W127 HydrophobicContact CB-CH2 3.71Å; E45-W127 HydrophobicContact CB-CZ2 3.56Å; E45-W127 VanDerWaalsContact CD-CZ2 3.42Å; E45-W127 HydrophobicContact CG-CH2 4.08Å; E45-W127 HydrophobicContact CG-CZ2 3.45Å; E45-W127 VanDerWaalsContact CG-CZ2 3.45Å; E45-W127 PolarHBondContact OE1-NE1 2.87Å
46V92.9Very high90.6Very high100 Ų10078.1 Ų78.161%0.60639%0.392SS*.Hα-helixtrans-63.7-46.6177.8170.80000111E42 E43 Y48 K49 R50E42-V46 WeakPolarHBondContact O-CG2 3.48Å; E42-V46 PolarHBondContact O-N 3.3Å; E43-V46 PolarHBondContact O-N 3.48Å; V46-Y48 VanDerWaalsContact C-N 3.35Å; V46-Y48 PolarHBondContact O-N 3.39Å; V46-K49 PolarHBondContact O-N 2.74Å; V46-R50 WeakPolarHBondContact O-CB 3.3Å; V46-R50 PolarHBondContact O-N 3.39Å
47A93.7Very high90.5Very high24 Ų2478.8 Ų78.820%0.19838%0.384CS..Hα-helixtrans-60.1-45.5176.800000111.3L35 E43 F44 R50 A51L35-A47 HydrophobicContact CB-CB 4.36Å; E43-A47 WeakPolarHBondContact O-CB 3.39Å; E43-A47 PolarHBondContact O-N 3.12Å; F44-A47 PolarHBondContact O-N 3.29Å; A47-R50 PolarHBondContact O-N 3.12Å; A47-A51 PolarHBondContact O-N 3.27Å
48Y92.5Very high90.4Very high0 Ų072.6 Ų72.60%034%0.344CS..Hα-helixtrans-64.7-44.9179.1-164.9-100.1000112.8L35 F44 E45 V46 R50 A51 L52 C61 L64 V124 W127 T128L35-Y48 HydrophobicContact CD1-CD2 3.79Å; L35-Y48 HydrophobicContact CD2-CD2 3.87Å; L35-Y48 HydrophobicContact CG-CD2 4.47Å; F44-Y48 VanDerWaalsContact O-CB 3.3Å; F44-Y48 WeakPolarHBondContact O-CB 3.41Å; F44-Y48 PolarHBondContact O-N 3.28Å; E45-Y48 PolarHBondContact O-N 2.93Å; V46-Y48 VanDerWaalsContact C-N 3.35Å; V46-Y48 PolarHBondContact O-N 3.39Å; Y48-R50 VanDerWaalsContact C-N 3.34Å; Y48-R50 PolarHBondContact O-N 3.31Å; Y48-A51 WeakPolarHBondContact O-CB 3.5Å; Y48-A51 PolarHBondContact O-N 3.09Å; Y48-L52 HydrophobicContact CD1-CD1 3.78Å; Y48-L52 HydrophobicContact CD1-CG 4.22Å; Y48-L52 HydrophobicContact CE1-CD1 3.65Å; Y48-L52 HydrophobicContact CE1-CD2 4.24Å; Y48-L52 HydrophobicContact CE1-CG 3.99Å; Y48-L52 WeakPolarHBondContact O-CG 3.31Å; Y48-L52 PolarHBondContact O-N 2.94Å; Y48-C61 PolarHBondContact OH-O 3.36Å; Y48-L64 HydrophobicContact CE2-CD2 3.73Å; Y48-L64 HydrophobicContact CE2-CG 4.38Å; Y48-V124 HydrophobicContact CE1-CG1 4.13Å; Y48-V124 HydrophobicContact CE2-CG1 3.95Å; Y48-W127 HydrophobicContact CD1-CB 3.87Å; Y48-W127 HydrophobicContact CD1-CD2 4.36Å; Y48-W127 AromaticContact CD1-CE3 3.77Å; Y48-W127 HydrophobicContact CD1-CE3 3.77Å; Y48-W127 HydrophobicContact CD1-CG 4.47Å; Y48-W127 HydrophobicContact CE1-CB 3.86Å; Y48-W127 HydrophobicContact CE1-CE3 4.38Å; Y48-W127 HydrophobicContact CG-CE3 4.19Å; Y48-T128 PolarHBondContact OH-OG1 3.2Å
49K90.2Very high90.3Very high71 Ų7173.6 Ų73.631%0.30935%0.349SS..Hα-helixtrans-65.1-37.9177-74.4179.2-178.11700112.5E45 V46 A51 L52 T53E45-K49 HydrophobicContact CG-CD 4.04Å; E45-K49 HydrophobicContact CG-CG 4.44Å; E45-K49 WeakPolarHBondContact O-CB 3.33Å; E45-K49 WeakPolarHBondContact O-CG 3.28Å; E45-K49 PolarHBondContact O-N 3.33Å; E45-K49 WeakPolarHBondContact OE1-CE 3.45Å; E45-K49 IonicContact OE1-NZ 2.98Å; E45-K49 PolarHBondContact OE1-NZ 3.24Å; V46-K49 PolarHBondContact O-N 2.74Å; K49-A51 VanDerWaalsContact C-N 3.31Å; K49-A51 PolarHBondContact O-N 3.46Å; K49-L52 PolarHBondContact O-N 2.95Å; K49-T53 PolarHBondContact O-N 3.45Å
50R90.2Very high90.4Very high197 Ų19768.9 Ų68.974%0.74333%0.332SS*.Hα-helixtrans-61.2-43.2173.1-177.7180177.4-177.8-0.9110.9V46 A47 Y48 L52 T53 D54V46-R50 WeakPolarHBondContact O-CB 3.3Å; V46-R50 PolarHBondContact O-N 3.39Å; A47-R50 PolarHBondContact O-N 3.12Å; Y48-R50 VanDerWaalsContact C-N 3.34Å; Y48-R50 PolarHBondContact O-N 3.31Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 3.24Å; R50-T53 PolarHBondContact O-N 2.92Å; R50-T53 PolarHBondContact O-OG1 3.38Å; R50-D54 PolarHBondContact O-N 3.47Å
51A91.1Very high90.4Very high1 Ų166.2 Ų66.21%0.00832%0.318CS..Hα-helixtrans-62-39.8176.500000113.3F34 L35 A47 Y48 K49 T53 D54 Q57 C61F34-A51 HydrophobicContact CD2-CB 4.5Å; F34-A51 HydrophobicContact CE2-CB 3.73Å; L35-A51 HydrophobicContact CD2-CB 3.87Å; A47-A51 PolarHBondContact O-N 3.27Å; Y48-A51 WeakPolarHBondContact O-CB 3.5Å; Y48-A51 PolarHBondContact O-N 3.09Å; K49-A51 VanDerWaalsContact C-N 3.31Å; K49-A51 PolarHBondContact O-N 3.46Å; A51-T53 PolarHBondContact O-N 2.9Å; A51-D54 PolarHBondContact O-N 2.87Å; A51-Q57 HydrophobicContact CB-CB 4.45Å; A51-C61 VanDerWaalsContact CB-SG 3.56Å
52L89.1Confident90.4Very high8 Ų865.4 Ų65.44%0.04231%0.313CS..Hα-helixtrans-61.1-29.4176.5-73.3169.3000113.3Y48 K49 R50 C61 W127 T128 Y134 S136Y48-L52 HydrophobicContact CD1-CD1 3.78Å; Y48-L52 HydrophobicContact CD1-CG 4.22Å; Y48-L52 HydrophobicContact CE1-CD1 3.65Å; Y48-L52 HydrophobicContact CE1-CD2 4.24Å; Y48-L52 HydrophobicContact CE1-CG 3.99Å; Y48-L52 WeakPolarHBondContact O-CG 3.31Å; Y48-L52 PolarHBondContact O-N 2.94Å; K49-L52 PolarHBondContact O-N 2.95Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 3.24Å; L52-C61 HydrophobicContact CD2-CB 3.56Å; L52-C61 HydrophobicContact CG-CB 4.37Å; L52-W127 HydrophobicContact CD1-CB 4.45Å; L52-W127 WeakPolarHBondContact CD1-O 3.34Å; L52-T128 HydrophobicContact CD2-CG2 4.28Å; L52-Y134 HydrophobicContact CB-CD2 3.74Å; L52-Y134 HydrophobicContact CB-CE2 3.57Å; L52-Y134 HydrophobicContact CB-CG 4.39Å; L52-Y134 HydrophobicContact CD1-CD2 4.32Å; L52-Y134 HydrophobicContact CD1-CE2 3.65Å; L52-Y134 HydrophobicContact CG-CE2 4.21Å; L52-S136 PolarHBondContact O-OG 3.24Å
53T86.6Confident90.5Very high90 Ų9064.3 Ų64.355%0.55230%0.302SS*.Hα-helixtrans-81.1-15.3175.760.80000114K49 R50 A51 Y134K49-T53 PolarHBondContact O-N 3.45Å; R50-T53 PolarHBondContact O-N 2.92Å; R50-T53 PolarHBondContact O-OG1 3.38Å; A51-T53 PolarHBondContact O-N 2.9Å; T53-Y134 HydrophobicContact CG2-CD1 3.44Å; T53-Y134 VanDerWaalsContact CG2-CD1 3.44Å; T53-Y134 HydrophobicContact CG2-CE1 3.25Å
54D88.2Confident90.5Very high60 Ų6060.7 Ų60.732%0.32129%0.286SS..  trans-88.7110.7178.6-174.2-5.5000109.9R50 A51 R56 Q57 A58R50-D54 PolarHBondContact O-N 3.47Å; A51-D54 PolarHBondContact O-N 2.87Å; D54-R56 PolarHBondContact O-N 3.07Å; D54-R56 VanDerWaalsContact OD1-CB 3.3Å; D54-R56 WeakPolarHBondContact OD1-CB 3.43Å; D54-R56 WeakPolarHBondContact OD1-CG 3.45Å; D54-R56 PolarHBondContact OD1-N 3.4Å; D54-Q57 HydrophobicContact CB-CB 4.29Å; D54-Q57 HydrophobicContact CB-CG 4.31Å; D54-Q57 CarbonylContact O-C 3.52Å; D54-Q57 WeakPolarHBondContact O-CA 3.47Å; D54-Q57 PolarHBondContact O-N 2.91Å; D54-A58 PolarHBondContact O-N 3.06Å
55E83.6Confident90.6Very high153 Ų15360.2 Ų60.272%0.71528%0.284SS*.THydrogen-bonded Turntrans-53.9-28.7176.7-69.5-175.6172.100112.9Q57 A58E55-Q57 VanDerWaalsContact C-N 3.25Å; E55-Q57 PolarHBondContact O-N 3.01Å; E55-A58 PolarHBondContact O-N 3.26Å
56R86.1Confident90.8Very high229 Ų22958.8 Ų58.886%0.86428%0.277SS*.THydrogen-bonded Turntrans-69.8-24.4177.1-59.9177179.81791112.7D54D54-R56 PolarHBondContact O-N 3.07Å; D54-R56 VanDerWaalsContact OD1-CB 3.3Å; D54-R56 WeakPolarHBondContact OD1-CB 3.43Å; D54-R56 WeakPolarHBondContact OD1-CG 3.45Å; D54-R56 PolarHBondContact OD1-N 3.4Å
57Q89.7Confident91Very high54 Ų5454.2 Ų54.225%0.25225%0.25SC..THydrogen-bonded Turntrans-105.3-9.5-179.6-60.8-171.2-12.200112.7F34 A51 D54 E55 V59 T60 C61F34-Q57 HydrophobicContact CD2-CG 4.48Å; A51-Q57 HydrophobicContact CB-CB 4.45Å; D54-Q57 HydrophobicContact CB-CB 4.29Å; D54-Q57 HydrophobicContact CB-CG 4.31Å; D54-Q57 CarbonylContact O-C 3.52Å; D54-Q57 WeakPolarHBondContact O-CA 3.47Å; D54-Q57 PolarHBondContact O-N 2.91Å; E55-Q57 VanDerWaalsContact C-N 3.25Å; E55-Q57 PolarHBondContact O-N 3.01Å; Q57-V59 VanDerWaalsContact C-N 3.35Å; Q57-V59 PolarHBondContact O-N 3.44Å; Q57-T60 CarbonylContact O-C 3.4Å; Q57-T60 WeakPolarHBondContact O-CA 3.26Å; Q57-T60 WeakPolarHBondContact O-CB 3.24Å; Q57-T60 PolarHBondContact O-N 2.67Å; Q57-C61 PolarHBondContact O-N 2.85Å
58A86.8Confident91.1Very high3 Ų353 Ų533%0.02524%0.24CC..Hα-helixtrans-51-47.7-176.100000113.6D54 E55 T60 C61 F62 M139 F140D54-A58 PolarHBondContact O-N 3.06Å; E55-A58 PolarHBondContact O-N 3.26Å; A58-T60 VanDerWaalsContact C-N 3.35Å; A58-T60 PolarHBondContact O-N 3.21Å; A58-C61 PolarHBondContact O-N 2.93Å; A58-F62 VanDerWaalsContact O-CB 3.31Å; A58-F62 WeakPolarHBondContact O-CB 3.46Å; A58-F62 PolarHBondContact O-N 3.44Å; A58-M139 HydrophobicContact CB-SD 4.42Å; A58-F140 HydrophobicContact CB-CE2 4.49Å; A58-F140 HydrophobicContact CB-CZ 4.43Å
59V89.1Confident91.4Very high42 Ų4253 Ų5326%0.25524%0.24SC..Hα-helixtrans-63.9-40.4178.2178.70000111.5M12 L15 Q57 F62 R63 M139 F140M12-V59 HydrophobicContact SD-CG2 4.33Å; L15-V59 HydrophobicContact CD2-CG1 4.2Å; Q57-V59 VanDerWaalsContact C-N 3.35Å; Q57-V59 PolarHBondContact O-N 3.44Å; V59-F62 PolarHBondContact O-N 3.15Å; V59-R63 WeakPolarHBondContact O-CB 3.26Å; V59-R63 VanDerWaalsContact O-CG 3.3Å; V59-R63 WeakPolarHBondContact O-CG 3.33Å; V59-R63 PolarHBondContact O-N 2.91Å; V59-M139 HydrophobicContact CG2-CE 3.65Å; V59-M139 HydrophobicContact CG2-SD 4.32Å; V59-F140 HydrophobicContact CG2-CE1 4.3Å; V59-F140 HydrophobicContact CG2-CZ 4.23Å
60T92.2Very high91.8Very high65 Ų6549.7 Ų49.740%0.39923%0.225SC..Hα-helixtrans-65.1-46.9177.3-53.50000111F34 Q57 A58 F62 R63 L64F34-T60 HydrophobicContact CD1-CG2 3.73Å; F34-T60 HydrophobicContact CE1-CG2 3.55Å; F34-T60 HydrophobicContact CE2-CG2 4.49Å; F34-T60 HydrophobicContact CG-CG2 4.29Å; F34-T60 HydrophobicContact CZ-CG2 3.97Å; Q57-T60 CarbonylContact O-C 3.4Å; Q57-T60 WeakPolarHBondContact O-CA 3.26Å; Q57-T60 WeakPolarHBondContact O-CB 3.24Å; Q57-T60 PolarHBondContact O-N 2.67Å; A58-T60 VanDerWaalsContact C-N 3.35Å; A58-T60 PolarHBondContact O-N 3.21Å; T60-F62 PolarHBondContact O-N 3.18Å; T60-R63 PolarHBondContact O-N 3.03Å; T60-L64 VanDerWaalsContact O-CB 3.31Å; T60-L64 WeakPolarHBondContact O-CB 3.43Å; T60-L64 PolarHBondContact O-N 3.34Å
61C92.3Very high92.1Very high0 Ų040.3 Ų40.30%019%0.19CC..Hα-helixtrans-62.1-42.1176.4-68.90000112.1Y48 A51 L52 Q57 A58 L64 G65Y48-C61 PolarHBondContact OH-O 3.36Å; A51-C61 VanDerWaalsContact CB-SG 3.56Å; L52-C61 HydrophobicContact CD2-CB 3.56Å; L52-C61 HydrophobicContact CG-CB 4.37Å; Q57-C61 PolarHBondContact O-N 2.85Å; A58-C61 PolarHBondContact O-N 2.93Å; C61-L64 PolarHBondContact O-N 3.03Å; C61-G65 PolarHBondContact O-N 3.44Å
62F91.9Very high92.4Very high4 Ų440.2 Ų40.22%0.01819%0.19CC..Hα-helixtrans-60.4-50.5176.6-173-86000111.3M19 A58 V59 T60 L64 G65 V66 F129 F140 Y143 W146M19-F62 HydrophobicContact CE-CD1 3.81Å; M19-F62 HydrophobicContact CE-CE1 3.53Å; M19-F62 HydrophobicContact SD-CD1 4.42Å; M19-F62 HydrophobicContact SD-CE1 4.43Å; A58-F62 VanDerWaalsContact O-CB 3.31Å; A58-F62 WeakPolarHBondContact O-CB 3.46Å; A58-F62 PolarHBondContact O-N 3.44Å; V59-F62 PolarHBondContact O-N 3.15Å; T60-F62 PolarHBondContact O-N 3.18Å; F62-L64 VanDerWaalsContact C-N 3.29Å; F62-L64 PolarHBondContact O-N 3.39Å; F62-G65 PolarHBondContact O-N 3.33Å; F62-V66 HydrophobicContact CD1-CG2 4.12Å; F62-V66 HydrophobicContact CE1-CG2 3.89Å; F62-V66 WeakPolarHBondContact O-CG2 3.48Å; F62-V66 PolarHBondContact O-N 2.95Å; F62-F129 AromaticContact CD2-CE1 3.86Å; F62-F129 HydrophobicContact CD2-CE1 3.86Å; F62-F129 AromaticContact CE2-CE1 3.72Å; F62-F129 HydrophobicContact CE2-CE1 3.72Å; F62-F129 HydrophobicContact CZ-CE1 4.29Å; F62-F140 HydrophobicContact CB-CD1 4.16Å; F62-F140 HydrophobicContact CB-CE1 3.55Å; F62-F140 HydrophobicContact CB-CE2 4.01Å; F62-F140 HydrophobicContact CB-CZ 3.49Å; F62-F140 VanDerWaalsContact CB-CZ 3.49Å; F62-F140 AromaticContact CD1-CD1 3.74Å; F62-F140 HydrophobicContact CD1-CD1 3.74Å; F62-F140 AromaticContact CD1-CE1 3.83Å; F62-F140 HydrophobicContact CD1-CE1 3.83Å; F62-F140 HydrophobicContact CD1-CG 4.43Å; F62-F140 HydrophobicContact CD2-CB 4.01Å; F62-F140 AromaticContact CD2-CD1 3.51Å; F62-F140 HydrophobicContact CD2-CD1 3.51Å; F62-F140 AromaticContact CD2-CD2 3.52Å; F62-F140 HydrophobicContact CD2-CD2 3.52Å; F62-F140 AromaticContact CD2-CE1 3.79Å; F62-F140 HydrophobicContact CD2-CE1 3.79Å; F62-F140 AromaticContact CD2-CE2 3.8Å; F62-F140 HydrophobicContact CD2-CE2 3.8Å; F62-F140 AromaticContact CD2-CG 3.39Å; F62-F140 HydrophobicContact CD2-CG 3.39Å; F62-F140 AromaticContact CD2-CZ 3.95Å; F62-F140 HydrophobicContact CD2-CZ 3.95Å; F62-F140 AromaticContact CE1-CD1 3.91Å; F62-F140 HydrophobicContact CE1-CD1 3.91Å; F62-F140 HydrophobicContact CE1-CE1 4.46Å; F62-F140 HydrophobicContact CE1-CG 4.44Å; F62-F140 HydrophobicContact CE2-CB 3.45Å; F62-F140 VanDerWaalsContact CE2-CB 3.45Å; F62-F140 AromaticContact CE2-CD1 3.68Å; F62-F140 HydrophobicContact CE2-CD1 3.68Å; F62-F140 AromaticContact CE2-CD2 3.88Å; F62-F140 HydrophobicContact CE2-CD2 3.88Å; F62-F140 HydrophobicContact CE2-CE1 4.41Å; F62-F140 AromaticContact CE2-CG 3.39Å; F62-F140 HydrophobicContact CE2-CG 3.39Å; F62-F140 AromaticContact CG-CD1 3.52Å; F62-F140 HydrophobicContact CG-CD1 3.52Å; F62-F140 HydrophobicContact CG-CD2 4.19Å; F62-F140 AromaticContact CG-CE1 3.44Å; F62-F140 HydrophobicContact CG-CE1 3.44Å; F62-F140 VanDerWaalsContact CG-CE1 3.44Å; F62-F140 HydrophobicContact CG-CE2 4.12Å; F62-F140 AromaticContact CG-CG 3.93Å; F62-F140 HydrophobicContact CG-CG 3.93Å; F62-F140 AromaticContact CG-CZ 3.78Å; F62-F140 HydrophobicContact CG-CZ 3.78Å; F62-F140 HydrophobicContact CZ-CB 3.82Å; F62-F140 AromaticContact CZ-CD1 3.86Å; F62-F140 HydrophobicContact CZ-CD1 3.86Å; F62-F140 AromaticContact CZ-CG 3.94Å; F62-F140 HydrophobicContact CZ-CG 3.94Å; F62-Y143 HydrophobicContact CE2-CD2 4.18Å; F62-W146 AromaticContact CZ-CD1 3.47Å; F62-W146 VanDerWaalsContact CZ-CD1 3.47Å; F62-W146 HydrophobicContact CZ-CG 4.39Å; F62-W146 AromaticContact CZ-NE1 3.84Å
63R93.8Very high92.8Very high128 Ų12840 Ų4048%0.48319%0.188SC..Hα-helixtrans-58.7-41.2175.9-73.2178.970.5-165.8-1.3111.8M19 V59 T60 V66 A67M19-R63 HydrophobicContact SD-CG 3.86Å; V59-R63 WeakPolarHBondContact O-CB 3.26Å; V59-R63 VanDerWaalsContact O-CG 3.3Å; V59-R63 WeakPolarHBondContact O-CG 3.33Å; V59-R63 PolarHBondContact O-N 2.91Å; T60-R63 PolarHBondContact O-N 3.03Å; R63-V66 PolarHBondContact O-N 2.81Å; R63-A67 VanDerWaalsContact O-CB 3.31Å; R63-A67 WeakPolarHBondContact O-CB 3.47Å; R63-A67 PolarHBondContact O-N 3.36Å
64L95.2Very high93.3Very high6 Ų635.7 Ų35.73%0.03116%0.162CC..Hα-helixtrans-65.2-42.7177.1-178.254.4000111.8L27 D31 F32 F34 Y48 T60 C61 F62 A67 C68 V124L27-L64 HydrophobicContact CD2-CD1 3.71Å; D31-L64 HydrophobicContact CB-CD1 4.21Å; F32-L64 HydrophobicContact CD1-CD1 4.3Å; F32-L64 HydrophobicContact CD1-CD2 3.84Å; F32-L64 HydrophobicContact CE1-CD1 3.8Å; F32-L64 HydrophobicContact CE1-CD2 3.9Å; F32-L64 HydrophobicContact CE1-CG 4.23Å; F32-L64 HydrophobicContact CE2-CD1 4.01Å; F32-L64 HydrophobicContact CZ-CD1 3.65Å; F34-L64 HydrophobicContact CE1-CD2 3.82Å; F34-L64 HydrophobicContact CZ-CD2 4.08Å; Y48-L64 HydrophobicContact CE2-CD2 3.73Å; Y48-L64 HydrophobicContact CE2-CG 4.38Å; T60-L64 VanDerWaalsContact O-CB 3.31Å; T60-L64 WeakPolarHBondContact O-CB 3.43Å; T60-L64 PolarHBondContact O-N 3.34Å; C61-L64 PolarHBondContact O-N 3.03Å; F62-L64 VanDerWaalsContact C-N 3.29Å; F62-L64 PolarHBondContact O-N 3.39Å; L64-A67 PolarHBondContact O-N 3.43Å; L64-C68 WeakPolarHBondContact O-CB 3.49Å; L64-C68 PolarHBondContact O-N 3.03Å; L64-C68 PolarHBondContact O-SG 3.11Å; L64-V124 HydrophobicContact CG-CG1 4.42Å
65G95.1Very high93.7Very high0 Ų032.8 Ų32.80%015%0.147CC..Hα-helixtrans-61.2-44174.900000112.5C61 F62 C68 L69 T128C61-G65 PolarHBondContact O-N 3.44Å; F62-G65 PolarHBondContact O-N 3.33Å; G65-C68 PolarHBondContact O-N 3.33Å; G65-L69 PolarHBondContact O-N 2.94Å; G65-T128 WeakPolarHBondContact CA-OG1 3.46Å
66V96.3Very high94.4Very high0 Ų025.5 Ų25.50%011%0.113CC..Hα-helixtrans-58.2-50.2172.3169.90000110.4M19 V24 F62 R63 C68 L69 S70 F129 W146M19-V66 HydrophobicContact CB-CG1 4.21Å; M19-V66 HydrophobicContact CG-CG1 4.38Å; M19-V66 HydrophobicContact SD-CB 4.27Å; M19-V66 HydrophobicContact SD-CG1 4.26Å; M19-V66 HydrophobicContact SD-CG2 4.1Å; V24-V66 HydrophobicContact CB-CG1 4.48Å; V24-V66 HydrophobicContact CG2-CG1 4.12Å; F62-V66 HydrophobicContact CD1-CG2 4.12Å; F62-V66 HydrophobicContact CE1-CG2 3.89Å; F62-V66 WeakPolarHBondContact O-CG2 3.48Å; F62-V66 PolarHBondContact O-N 2.95Å; R63-V66 PolarHBondContact O-N 2.81Å; V66-C68 PolarHBondContact O-N 2.63Å; V66-L69 PolarHBondContact O-N 3.26Å; V66-S70 WeakPolarHBondContact O-CB 3.37Å; V66-S70 PolarHBondContact O-N 3.47Å; V66-S70 PolarHBondContact O-OG 2.6Å; V66-F129 HydrophobicContact CG2-CZ 3.86Å; V66-W146 HydrophobicContact CB-CH2 4.35Å; V66-W146 HydrophobicContact CB-CZ2 4.33Å; V66-W146 HydrophobicContact CG1-CH2 3.45Å; V66-W146 VanDerWaalsContact CG1-CH2 3.45Å; V66-W146 HydrophobicContact CG1-CZ2 3.64Å; V66-W146 HydrophobicContact CG1-CZ3 3.96Å; V66-W146 HydrophobicContact CG2-CD2 3.75Å; V66-W146 HydrophobicContact CG2-CE3 4.16Å; V66-W146 HydrophobicContact CG2-CG 4.24Å; V66-W146 HydrophobicContact CG2-CH2 4.16Å; V66-W146 HydrophobicContact CG2-CZ2 3.74Å; V66-W146 HydrophobicContact CG2-CZ3 4.35Å
67A96.9Very high94.9Very high3 Ų315 Ų153%0.0257%0.073CC..Hα-helixtrans-62.3-41.7-177.800000112.6V24 L27 R63 L64 S70 C71V24-A67 HydrophobicContact CB-CB 3.68Å; V24-A67 HydrophobicContact CG1-CB 3.57Å; V24-A67 VanDerWaalsContact O-CA 3.31Å; V24-A67 WeakPolarHBondContact O-CA 3.22Å; L27-A67 HydrophobicContact CD1-CB 4.48Å; L27-A67 HydrophobicContact CD2-CB 3.53Å; L27-A67 HydrophobicContact CG-CB 3.99Å; R63-A67 VanDerWaalsContact O-CB 3.31Å; R63-A67 WeakPolarHBondContact O-CB 3.47Å; R63-A67 PolarHBondContact O-N 3.36Å; L64-A67 PolarHBondContact O-N 3.43Å; A67-S70 PolarHBondContact O-N 3.39Å; A67-C71 VanDerWaalsContact O-CB 3.26Å; A67-C71 WeakPolarHBondContact O-CB 3.44Å; A67-C71 PolarHBondContact O-N 3Å; A67-C71 PolarHBondContact O-SG 3.06Å
68C97.6Very high95.1Very high0 Ų012.5 Ų12.50%06%0.061CC..Hα-helixtrans-63.8-45.1175.2-72.40000111.7L64 G65 V66 C71 F72 L121 V124L64-C68 WeakPolarHBondContact O-CB 3.49Å; L64-C68 PolarHBondContact O-N 3.03Å; L64-C68 PolarHBondContact O-SG 3.11Å; G65-C68 PolarHBondContact O-N 3.33Å; V66-C68 PolarHBondContact O-N 2.63Å; C68-C71 PolarHBondContact O-N 3.04Å; C68-F72 WeakPolarHBondContact O-CB 3.38Å; C68-F72 PolarHBondContact O-N 3.43Å; C68-L121 HydrophobicContact CB-CB 4.34Å; C68-L121 HydrophobicContact CB-CD2 4.3Å; C68-L121 VanDerWaalsContact CB-O 3.3Å; C68-L121 WeakPolarHBondContact CB-O 3.43Å; C68-L121 WeakPolarHBondContact O-CB 3.13Å; C68-V124 HydrophobicContact CB-CB 4.1Å; C68-V124 HydrophobicContact CB-CG1 4.11Å
69L97.8Very high95.5Very high0 Ų012.3 Ų12.30%06%0.06CC..Hα-helixtrans-61.8-48.3175.8-174.664.7000111.4G65 V66 C71 F72 V73 L122 A125 W146 R149 V153 F392G65-L69 PolarHBondContact O-N 2.94Å; V66-L69 PolarHBondContact O-N 3.26Å; L69-C71 VanDerWaalsContact C-N 3.34Å; L69-C71 PolarHBondContact O-N 3.08Å; L69-F72 PolarHBondContact O-N 3.03Å; L69-V73 WeakPolarHBondContact O-CG2 3.41Å; L69-V73 PolarHBondContact O-N 2.89Å; L69-L122 HydrophobicContact CD1-CD1 3.98Å; L69-A125 HydrophobicContact CB-CB 3.84Å; L69-A125 HydrophobicContact CD1-CB 4.23Å; L69-W146 HydrophobicContact CD2-CE3 3.86Å; L69-W146 HydrophobicContact CD2-CZ3 4.13Å; L69-R149 HydrophobicContact CD2-CB 3.89Å; L69-V153 HydrophobicContact CD1-CB 4.18Å; L69-V153 HydrophobicContact CD1-CG1 4.25Å; L69-V153 HydrophobicContact CD1-CG2 4.17Å; L69-F392 HydrophobicContact CD2-CZ 4.42Å
70S97.5Very high95.8Very high0 Ų011.2 Ų11.20%05%0.054CC..Hα-helixtrans-57.6-44.4177.1-72.40000112.1V24 V66 A67 V73 Q74 F388V24-S70 PolarHBondContact N-OG 3.4Å; V24-S70 WeakPolarHBondContact O-CB 2.93Å; V66-S70 WeakPolarHBondContact O-CB 3.37Å; V66-S70 PolarHBondContact O-N 3.47Å; V66-S70 PolarHBondContact O-OG 2.6Å; A67-S70 PolarHBondContact O-N 3.39Å; S70-V73 PolarHBondContact O-N 3.33Å; S70-Q74 PolarHBondContact O-N 2.88Å; S70-F388 WeakPolarHBondContact OG-CZ 3.33Å
71C97.3Very high95.9Very high0 Ų010 Ų100%05%0.047CC..Hα-helixtrans-67.1-38.1176.7-73.20000112.7L27 A67 C68 L69 V73 Q74 D75 R84 L121L27-C71 HydrophobicContact CD1-CB 3.93Å; L27-C71 VanDerWaalsContact CD1-SG 3.59Å; A67-C71 VanDerWaalsContact O-CB 3.26Å; A67-C71 WeakPolarHBondContact O-CB 3.44Å; A67-C71 PolarHBondContact O-N 3Å; A67-C71 PolarHBondContact O-SG 3.06Å; C68-C71 PolarHBondContact O-N 3.04Å; L69-C71 VanDerWaalsContact C-N 3.34Å; L69-C71 PolarHBondContact O-N 3.08Å; C71-V73 VanDerWaalsContact C-N 3.33Å; C71-Q74 WeakPolarHBondContact O-CB 3.3Å; C71-Q74 PolarHBondContact O-N 3.18Å; C71-D75 WeakPolarHBondContact O-CB 3.15Å; C71-D75 PolarHBondContact O-N 3.4Å; C71-R84 PolarHBondContact O-NH2 3.17Å; C71-R84 PolarHBondContact SG-NH1 2.88Å; C71-L121 HydrophobicContact CB-CD1 3.8Å
72F97.8Very high95.8Very high0 Ų015.1 Ų15.10%07%0.069CC..Hα-helixtrans-62.9-42.5173.6-176.2-91.1000111.4C68 L69 D75 N76 F77 C116 R117 L121 L122 V153 L157C68-F72 WeakPolarHBondContact O-CB 3.38Å; C68-F72 PolarHBondContact O-N 3.43Å; L69-F72 PolarHBondContact O-N 3.03Å; F72-D75 PolarHBondContact O-N 3.21Å; F72-N76 HydrophobicContact CE1-CB 4.46Å; F72-N76 WeakPolarHBondContact CE2-ND2 3.26Å; F72-N76 WeakPolarHBondContact O-CB 3.45Å; F72-N76 PolarHBondContact O-N 3.06Å; F72-N76 VanDerWaalsContact O-N 3.14Å; F72-N76 PolarHBondContact O-ND2 3.16Å; F72-F77 HydrophobicContact CD1-CE2 4.46Å; F72-F77 HydrophobicContact CE1-CE2 4.21Å; F72-C116 HydrophobicContact CE2-CB 4.38Å; F72-C116 HydrophobicContact CZ-CB 4.12Å; F72-R117 WeakPolarHBondContact CE2-O 3.46Å; F72-L121 HydrophobicContact CB-CB 3.9Å; F72-L121 HydrophobicContact CB-CD1 4.49Å; F72-L121 HydrophobicContact CD2-CB 4.29Å; F72-L122 HydrophobicContact CD1-CB 4.34Å; F72-L122 HydrophobicContact CD2-CB 3.83Å; F72-L122 HydrophobicContact CE1-CB 4.43Å; F72-L122 HydrophobicContact CE1-CD2 4.11Å; F72-L122 HydrophobicContact CE2-CB 3.93Å; F72-L122 HydrophobicContact CG-CB 4.04Å; F72-L122 HydrophobicContact CZ-CB 4.23Å; F72-L122 HydrophobicContact CZ-CD2 4.03Å; F72-V153 HydrophobicContact CD1-CG1 3.49Å; F72-V153 VanDerWaalsContact CD1-CG1 3.49Å; F72-V153 HydrophobicContact CE1-CG1 3.46Å; F72-V153 VanDerWaalsContact CE1-CG1 3.46Å; F72-L157 HydrophobicContact CZ-CD2 4.19Å
73V97.6Very high95.6Very high2 Ų218.9 Ų18.91%0.01210%0.096CC..Hα-helixtrans-64.4-41.9175.8170.90000110.6L69 S70 C71 D75 N76 F77 C78 V153 F388 V391 F392L69-V73 WeakPolarHBondContact O-CG2 3.41Å; L69-V73 PolarHBondContact O-N 2.89Å; S70-V73 PolarHBondContact O-N 3.33Å; C71-V73 VanDerWaalsContact C-N 3.33Å; V73-D75 PolarHBondContact O-N 3.25Å; V73-N76 PolarHBondContact O-N 3.06Å; V73-F77 HydrophobicContact CB-CD2 4.35Å; V73-F77 HydrophobicContact CG1-CB 3.96Å; V73-F77 HydrophobicContact CG1-CD2 4.3Å; V73-F77 HydrophobicContact CG1-CG 4.16Å; V73-F77 HydrophobicContact CG2-CD2 4.37Å; V73-F77 WeakPolarHBondContact O-CA 3.23Å; V73-F77 WeakPolarHBondContact O-CB 3.36Å; V73-F77 PolarHBondContact O-N 3.45Å; V73-C78 PolarHBondContact O-N 2.94Å; V73-V153 HydrophobicContact CG2-CG2 3.86Å; V73-F388 HydrophobicContact CB-CE2 4.09Å; V73-F388 HydrophobicContact CG1-CD2 4.45Å; V73-F388 HydrophobicContact CG1-CE2 3.82Å; V73-V391 HydrophobicContact CG1-CG1 3.8Å; V73-V391 HydrophobicContact CG1-CG2 3.95Å; V73-F392 HydrophobicContact CG2-CE1 3.9Å; V73-F392 HydrophobicContact CG2-CZ 3.87Å
74Q96.6Very high95.6Very high0 Ų013.3 Ų13.30%08%0.075CC..Iπ-helixtrans-56.2-52171.8-178-165.3-15.500111.4S70 C71 N76 G79 P80 V384S70-Q74 PolarHBondContact O-N 2.88Å; C71-Q74 WeakPolarHBondContact O-CB 3.3Å; C71-Q74 PolarHBondContact O-N 3.18Å; Q74-N76 PolarHBondContact O-N 3.11Å; Q74-G79 VanDerWaalsContact O-CA 3.22Å; Q74-G79 WeakPolarHBondContact O-CA 3.33Å; Q74-G79 PolarHBondContact O-N 2.91Å; Q74-P80 PolarHBondContact NE2-O 3.21Å; Q74-V384 HydrophobicContact CG-CG1 3.67Å
75D96.5Very high95.4Very high0 Ų018.3 Ų18.30%011%0.106CC..Iπ-helixtrans-69.6-16.2-172.2-67.3-16.2000113.8C71 F72 V73 P81 K82 R84 R117 N118 F377C71-D75 WeakPolarHBondContact O-CB 3.15Å; C71-D75 PolarHBondContact O-N 3.4Å; F72-D75 PolarHBondContact O-N 3.21Å; V73-D75 PolarHBondContact O-N 3.25Å; D75-P81 HydrophobicContact CB-CB 4.38Å; D75-K82 PolarHBondContact OD1-N 3.22Å; D75-K82 VanDerWaalsContact OD1-N 3.09Å; D75-R84 VanDerWaalsContact CG-NH2 3.32Å; D75-R84 IonicContact OD1-CZ 2.68Å; D75-R84 IonicContact OD1-NE 2.71Å; D75-R84 IonicContact OD1-NH2 2.8Å; D75-R84 PolarHBondContact OD1-NH2 2.99Å; D75-R84 IonicContact OD2-CZ 3.25Å; D75-R84 IonicContact OD2-NE 2.7Å; D75-R84 PolarHBondContact OD2-NE 2.66Å; D75-R84 IonicContact OD2-NH2 3.16Å; D75-R84 PolarHBondContact OD2-NH2 3.1Å; D75-R117 HydrophobicContact CB-CB 4.22Å; D75-R117 WeakPolarHBondContact O-CD 3.45Å; D75-R117 PolarHBondContact O-NH1 3.34Å; D75-N118 PolarHBondContact OD2-ND2 3.44Å; D75-F377 WeakPolarHBondContact O-CZ 3.31Å
76N97.4Very high95.3Very high0 Ų021.4 Ų21.40%012%0.12CC..Iπ-helixtrans-128.4-17.4-170.8-65.9-72.6000114.7F72 V73 Q74 R117 P398 I399 W400F72-N76 HydrophobicContact CE1-CB 4.46Å; F72-N76 WeakPolarHBondContact CE2-ND2 3.26Å; F72-N76 WeakPolarHBondContact O-CB 3.45Å; F72-N76 PolarHBondContact O-N 3.06Å; F72-N76 VanDerWaalsContact O-N 3.14Å; F72-N76 PolarHBondContact O-ND2 3.16Å; V73-N76 PolarHBondContact O-N 3.06Å; Q74-N76 PolarHBondContact O-N 3.11Å; N76-R117 PolarHBondContact ND2-O 2.98Å; N76-R117 PolarHBondContact OD1-N 3.48Å; N76-P398 CarbonylContact O-C 3.6Å; N76-P398 VanDerWaalsContact O-CA 3.32Å; N76-P398 WeakPolarHBondContact O-CA 3.24Å; N76-I399 WeakPolarHBondContact O-CG2 3.37Å; N76-I399 PolarHBondContact O-N 2.7Å; N76-W400 HydrophobicContact CB-CH2 4.03Å; N76-W400 HydrophobicContact CB-CZ3 3.64Å; N76-W400 WeakPolarHBondContact OD1-CZ3 3.32Å
77F97.3Very high95.1Very high9 Ų921.8 Ų21.84%0.03912%0.122CC..Iπ-helixtrans-117.6-59.8-174-65.7-114.9000112.4F72 V73 V153 H156 V391 L396 P398 R402F72-F77 HydrophobicContact CD1-CE2 4.46Å; F72-F77 HydrophobicContact CE1-CE2 4.21Å; V73-F77 HydrophobicContact CB-CD2 4.35Å; V73-F77 HydrophobicContact CG1-CB 3.96Å; V73-F77 HydrophobicContact CG1-CD2 4.3Å; V73-F77 HydrophobicContact CG1-CG 4.16Å; V73-F77 HydrophobicContact CG2-CD2 4.37Å; V73-F77 WeakPolarHBondContact O-CA 3.23Å; V73-F77 WeakPolarHBondContact O-CB 3.36Å; V73-F77 PolarHBondContact O-N 3.45Å; F77-V153 HydrophobicContact CE2-CG1 4.09Å; F77-V153 HydrophobicContact CZ-CG1 4.18Å; F77-V153 HydrophobicContact CZ-CG2 4.33Å; F77-H156 HydrophobicContact CZ-CB 4.35Å; F77-V391 HydrophobicContact CB-CG2 4.44Å; F77-L396 VanDerWaalsContact CD1-O 3.26Å; F77-L396 WeakPolarHBondContact CD1-O 3.29Å; F77-L396 WeakPolarHBondContact O-CD2 3.32Å; F77-P398 HydrophobicContact CD1-CB 4.06Å; F77-P398 HydrophobicContact CD2-CB 4.19Å; F77-P398 HydrophobicContact CE1-CB 3.88Å; F77-P398 HydrophobicContact CE1-CG 4.15Å; F77-P398 HydrophobicContact CE2-CB 4Å; F77-P398 HydrophobicContact CG-CB 4.21Å; F77-P398 HydrophobicContact CZ-CB 3.84Å; F77-P398 HydrophobicContact CZ-CG 4.22Å; F77-R402 PolarHBondContact O-NH2 3.21Å
78C95.1Very high94.7Very high0 Ų024.4 Ų24.40%014%0.138CC..Iπ-helixtrans-101.5-28.4-173.368.50000114.4V73 W342 R387 V391 L396V73-C78 PolarHBondContact O-N 2.94Å; C78-W342 HydrophobicContact CB-CH2 4.21Å; C78-W342 HydrophobicContact CB-CZ3 3.67Å; C78-W342 WeakPolarHBondContact O-CH2 3.31Å; C78-R387 HydrophobicContact CB-CB 4.08Å; C78-V391 HydrophobicContact CB-CG2 4.12Å; C78-L396 HydrophobicContact CB-CD2 4.11Å
79G94.3Very high94.3Very high0 Ų027.6 Ų27.60%017%0.165CC..SBendtrans65.3-177.4179.700000114.3Q74 F377 R387Q74-G79 VanDerWaalsContact O-CA 3.22Å; Q74-G79 WeakPolarHBondContact O-CA 3.33Å; Q74-G79 PolarHBondContact O-N 2.91Å; G79-F377 VanDerWaalsContact N-CE2 3.32Å; G79-R387 VanDerWaalsContact O-CD 3.25Å; G79-R387 WeakPolarHBondContact O-CD 3.42Å
80P94.8Very high94Very high19 Ų1930 Ų3012%0.12318%0.175CC..PPolyproline II helixcis-66.3149-13.832.3-37.8000111.1Q74 F377Q74-P80 PolarHBondContact NE2-O 3.21Å; P80-F377 VanDerWaalsContact CA-O 3.28Å; P80-F377 WeakPolarHBondContact CA-O 3.46Å
81P94.3Very high93.7Very high40 Ų4030 Ų3026%0.2618%0.176SC..PPolyproline II helixtrans-65.4140.2175.228-33.3000110.5D75 F377 Y378D75-P81 HydrophobicContact CB-CB 4.38Å; P81-F377 HydrophobicContact CG-CE1 4.25Å; P81-Y378 HydrophobicContact CG-CD1 4.32Å; P81-Y378 HydrophobicContact CG-CE1 4.37Å
82K91.1Very high93.5Very high107 Ų10731.9 Ų31.947%0.46519%0.185SC..PPolyproline II helixtrans-103.8150176.2-79.1-177.1178.2-178.30111.7D75 R84D75-K82 PolarHBondContact OD1-N 3.22Å; D75-K82 VanDerWaalsContact OD1-N 3.09Å; K82-R84 PolarHBondContact O-N 2.96Å
83S88.3Confident93.2Very high83 Ų8335.1 Ų35.158%0.5820%0.203SC*.PPolyproline II helixtrans-61.6131.5166.4-175.80000109.6T85S83-T85 WeakPolarHBondContact OG-CG2 3.45Å; S83-T85 PolarHBondContact OG-N 3.36Å; S83-T85 PolarHBondContact OG-OG1 3.01Å
84R93.3Very high92.8Very high10 Ų1040.6 Ų40.64%0.03824%0.236CC..  trans-109.226175.7-52.9-59.9179.1175.1-5.4111.8C71 D75 K82 F86 L87 N118 L121C71-R84 PolarHBondContact O-NH2 3.17Å; C71-R84 PolarHBondContact SG-NH1 2.88Å; D75-R84 VanDerWaalsContact CG-NH2 3.32Å; D75-R84 IonicContact OD1-CZ 2.68Å; D75-R84 IonicContact OD1-NE 2.71Å; D75-R84 IonicContact OD1-NH2 2.8Å; D75-R84 PolarHBondContact OD1-NH2 2.99Å; D75-R84 IonicContact OD2-CZ 3.25Å; D75-R84 IonicContact OD2-NE 2.7Å; D75-R84 PolarHBondContact OD2-NE 2.66Å; D75-R84 IonicContact OD2-NH2 3.16Å; D75-R84 PolarHBondContact OD2-NH2 3.1Å; K82-R84 PolarHBondContact O-N 2.96Å; R84-F86 HydrophobicContact CB-CE1 4.34Å; R84-F86 PolarHBondContact O-N 3.27Å; R84-L87 HydrophobicContact CB-CD1 4.13Å; R84-L87 WeakPolarHBondContact O-CB 3.26Å; R84-L87 PolarHBondContact O-N 3.05Å; R84-N118 HydrophobicContact CG-CB 4.25Å; R84-N118 VanDerWaalsContact CG-CG 3.44Å; R84-N118 WeakPolarHBondContact CG-ND2 3.5Å; R84-L121 HydrophobicContact CG-CD1 4.46Å
85T91.2Very high92.4Very high112 Ų11246.4 Ų46.469%0.68727%0.267SS*.THydrogen-bonded Turntrans-64.3-8.4-177.149.20000115S83S83-T85 WeakPolarHBondContact OG-CG2 3.45Å; S83-T85 PolarHBondContact OG-N 3.36Å; S83-T85 PolarHBondContact OG-OG1 3.01Å
86F92.1Very high92.2Very high64 Ų6447 Ų4728%0.28127%0.272SS..THydrogen-bonded Turntrans-72.8-18.7169.667.9-94.2000112.3L27 S28 A29 F32 R84L27-F86 HydrophobicContact CB-CE1 4.49Å; L27-F86 HydrophobicContact CB-CE2 4.16Å; L27-F86 HydrophobicContact CB-CZ 3.58Å; L27-F86 WeakPolarHBondContact O-CE1 3.05Å; L27-F86 WeakPolarHBondContact O-CZ 3.35Å; S28-F86 VanDerWaalsContact C-CD2 3.41Å; A29-F86 HydrophobicContact CB-CD2 4.5Å; F32-F86 HydrophobicContact CE2-CE2 4.12Å; R84-F86 HydrophobicContact CB-CE1 4.34Å; R84-F86 PolarHBondContact O-N 3.27Å
87L92.3Very high92Very high8 Ų847.6 Ų47.64%0.04228%0.276CS..SBendtrans-75.3145.4171.6-66.1173.9000109.9F32 R84 I92 I120 L121F32-L87 HydrophobicContact CD2-CD2 3.97Å; F32-L87 HydrophobicContact CE1-CD2 4.38Å; F32-L87 HydrophobicContact CE2-CD2 3.56Å; F32-L87 HydrophobicContact CZ-CD2 3.76Å; R84-L87 HydrophobicContact CB-CD1 4.13Å; R84-L87 WeakPolarHBondContact O-CB 3.26Å; R84-L87 PolarHBondContact O-N 3.05Å; L87-I92 HydrophobicContact CB-CD1 4.49Å; L87-I92 HydrophobicContact CB-CG2 3.76Å; L87-I92 HydrophobicContact CD1-CG2 3.83Å; L87-I92 HydrophobicContact CG-CG2 4.44Å; L87-I120 HydrophobicContact CD1-CG2 4.01Å; L87-L121 HydrophobicContact CD1-CD2 4.26Å
88P89Confident91.8Very high58 Ų5848.4 Ų48.438%0.37728%0.283SS..  trans-52.3142.3175-26.431.8000113.3F90 L91P88-F90 HydrophobicContact CB-CD1 3.57Å; P88-F90 HydrophobicContact CB-CE1 3.2Å; P88-F90 HydrophobicContact CB-CE2 4.32Å; P88-F90 HydrophobicContact CB-CG 4.27Å; P88-F90 HydrophobicContact CB-CZ 3.62Å; P88-F90 HydrophobicContact CG-CE1 3.91Å; P88-F90 HydrophobicContact CG-CZ 3.95Å; P88-F90 PolarHBondContact O-N 3.34Å; P88-L91 HydrophobicContact CB-CG 4.48Å; P88-L91 HydrophobicContact CG-CD1 4.31Å; P88-L91 WeakPolarHBondContact O-CB 3.33Å; P88-L91 PolarHBondContact O-N 3Å
89A88.6Confident91.8Very high68 Ų6851.5 Ų51.556%0.56230%0.302SS*.Hα-helixtrans-54.6-40.4-17700000112.7L91 I92 D93A89-L91 PolarHBondContact O-N 2.98Å; A89-I92 PolarHBondContact O-N 3.26Å; A89-D93 WeakPolarHBondContact O-CB 3.38Å; A89-D93 PolarHBondContact O-N 2.83Å
90F91.1Very high91.9Very high49 Ų4951.5 Ų51.522%0.21530%0.302CS..Hα-helixtrans-63.1-5.2178.169-102.7000114.6S38 N40 F44 P88 A96S38-F90 WeakPolarHBondContact O-CE1 3.36Å; S38-F90 VanDerWaalsContact O-CZ 3.25Å; S38-F90 WeakPolarHBondContact O-CZ 3.49Å; N40-F90 VanDerWaalsContact C-CD2 3.5Å; N40-F90 VanDerWaalsContact C-CE2 3.44Å; N40-F90 WeakPolarHBondContact O-CE2 3.35Å; F44-F90 HydrophobicContact CB-CE2 4.29Å; P88-F90 HydrophobicContact CB-CD1 3.57Å; P88-F90 HydrophobicContact CB-CE1 3.2Å; P88-F90 HydrophobicContact CB-CE2 4.32Å; P88-F90 HydrophobicContact CB-CG 4.27Å; P88-F90 HydrophobicContact CB-CZ 3.62Å; P88-F90 HydrophobicContact CG-CE1 3.91Å; P88-F90 HydrophobicContact CG-CZ 3.95Å; P88-F90 PolarHBondContact O-N 3.34Å; F90-A96 WeakPolarHBondContact O-CB 3.42Å
91L91.6Very high91.9Very high1 Ų152.1 Ų52.11%0.00530%0.302CS..Hα-helixtrans-105.4-21.7174.4-63.6-176.2000113.8L41 F44 P88 A89 I120L41-L91 HydrophobicContact CD1-CD2 3.6Å; F44-L91 HydrophobicContact CD1-CD1 4.35Å; F44-L91 HydrophobicContact CD1-CD2 4.23Å; F44-L91 HydrophobicContact CD2-CD1 4.26Å; F44-L91 HydrophobicContact CE1-CD1 4.21Å; F44-L91 HydrophobicContact CE2-CD1 4.11Å; F44-L91 HydrophobicContact CG-CD1 4.36Å; F44-L91 HydrophobicContact CG-CD2 4.35Å; F44-L91 HydrophobicContact CZ-CD1 4.08Å; P88-L91 HydrophobicContact CB-CG 4.48Å; P88-L91 HydrophobicContact CG-CD1 4.31Å; P88-L91 WeakPolarHBondContact O-CB 3.33Å; P88-L91 PolarHBondContact O-N 3Å; A89-L91 PolarHBondContact O-N 2.98Å; L91-I120 HydrophobicContact CB-CG1 4.16Å; L91-I120 HydrophobicContact CD1-CG1 4.32Å; L91-I120 HydrophobicContact CD2-CD1 3.99Å; L91-I120 HydrophobicContact CD2-CG1 4.29Å
92I92.6Very high91.7Very high40 Ų4054 Ų5421%0.20531%0.306CS..Hα-helixtrans-126.5-12.1-168.662.7171.5000114.4L87 A89 S97 I120L87-I92 HydrophobicContact CB-CD1 4.49Å; L87-I92 HydrophobicContact CB-CG2 3.76Å; L87-I92 HydrophobicContact CD1-CG2 3.83Å; L87-I92 HydrophobicContact CG-CG2 4.44Å; A89-I92 PolarHBondContact O-N 3.26Å; I92-S97 PolarHBondContact O-OG 3.28Å; I92-I120 HydrophobicContact CG2-CG2 4.17Å
93D91.5Very high91.8Very high68 Ų6853.6 Ų53.636%0.36431%0.312SS..SBendtrans-63.2170.7174.973.534.3000111.8A89 D95 A96 S97A89-D93 WeakPolarHBondContact O-CB 3.38Å; A89-D93 PolarHBondContact O-N 2.83Å; D93-D95 VanDerWaalsContact C-N 3.29Å; D93-D95 PolarHBondContact O-N 2.76Å; D93-D95 PolarHBondContact OD1-N 2.75Å; D93-A96 WeakPolarHBondContact OD1-CB 3.43Å; D93-A96 PolarHBondContact OD1-N 2.8Å; D93-S97 WeakPolarHBondContact O-CB 3.46Å; D93-S97 PolarHBondContact O-N 2.69Å; D93-S97 PolarHBondContact O-OG 3.47Å
94T89.2Confident92.1Very high116 Ų11651.8 Ų51.871%0.71229%0.294SS*.Hα-helixtrans-62.1-38.1-174.9-52.60000112.2S98T94-S98 VanDerWaalsContact O-CB 3.26Å; T94-S98 WeakPolarHBondContact O-CB 3.37Å; T94-S98 PolarHBondContact O-N 3.45Å
95D89.4Confident92.2Very high123 Ų12351.3 Ų51.366%0.65829%0.293SS*.Hα-helixtrans-77.3-42.9-175.2-68.9-21.2000111.2D93 S98 T99D93-D95 VanDerWaalsContact C-N 3.29Å; D93-D95 PolarHBondContact O-N 2.76Å; D93-D95 PolarHBondContact OD1-N 2.75Å; D95-S98 WeakPolarHBondContact O-CB 3.47Å; D95-S98 PolarHBondContact O-N 3.29Å; D95-T99 WeakPolarHBondContact O-CB 3.25Å; D95-T99 PolarHBondContact O-N 2.92Å; D95-T99 PolarHBondContact O-OG1 2.81Å
96A91.5Very high92.4Very high11 Ų1147.1 Ų47.19%0.09127%0.27CS..Hα-helixtrans-59-49.7170.500000110.8F90 D93 S98 T99 I100F90-A96 WeakPolarHBondContact O-CB 3.42Å; D93-A96 WeakPolarHBondContact OD1-CB 3.43Å; D93-A96 PolarHBondContact OD1-N 2.8Å; A96-S98 VanDerWaalsContact C-N 3.27Å; A96-S98 PolarHBondContact O-N 2.78Å; A96-T99 PolarHBondContact O-N 3.25Å; A96-I100 VanDerWaalsContact O-CG1 3.26Å; A96-I100 WeakPolarHBondContact O-CG1 3.37Å; A96-I100 PolarHBondContact O-N 3.13Å
97S94.3Very high92.3Very high13 Ų1344.5 Ų44.59%0.09126%0.259CS..Hα-helixtrans-60.6-38177.4-67.60000112.1I92 D93 R101I92-S97 PolarHBondContact O-OG 3.28Å; D93-S97 WeakPolarHBondContact O-CB 3.46Å; D93-S97 PolarHBondContact O-N 2.69Å; D93-S97 PolarHBondContact O-OG 3.47Å; S97-R101 WeakPolarHBondContact O-CG 3.48Å; S97-R101 VanDerWaalsContact O-CZ 3.29Å; S97-R101 PolarHBondContact O-N 2.91Å; S97-R101 PolarHBondContact O-NE 2.84Å
98S93.1Very high91.8Very high27 Ų2745.1 Ų45.119%0.18926%0.262CS..Hα-helixtrans-63.8-49.1174.5-172.40000111.5T94 D95 A96 I100 R101 K102T94-S98 VanDerWaalsContact O-CB 3.26Å; T94-S98 WeakPolarHBondContact O-CB 3.37Å; T94-S98 PolarHBondContact O-N 3.45Å; D95-S98 WeakPolarHBondContact O-CB 3.47Å; D95-S98 PolarHBondContact O-N 3.29Å; A96-S98 VanDerWaalsContact C-N 3.27Å; A96-S98 PolarHBondContact O-N 2.78Å; S98-I100 PolarHBondContact O-N 3.47Å; S98-R101 PolarHBondContact O-N 3.08Å; S98-K102 WeakPolarHBondContact O-CB 3.4Å; S98-K102 WeakPolarHBondContact O-CG 3.49Å; S98-K102 PolarHBondContact O-N 3.3Å; S98-K102 WeakPolarHBondContact OG-CE 3.45Å; S98-K102 PolarHBondContact OG-NZ 2.71Å
99T93.7Very high91.5Very high65 Ų6545.4 Ų45.440%0.39927%0.265SS..Hα-helixtrans-60.2-46.6179-57.90000111.3D95 A96 R101 K102 V103D95-T99 WeakPolarHBondContact O-CB 3.25Å; D95-T99 PolarHBondContact O-N 2.92Å; D95-T99 PolarHBondContact O-OG1 2.81Å; A96-T99 PolarHBondContact O-N 3.25Å; T99-R101 VanDerWaalsContact C-N 3.32Å; T99-R101 PolarHBondContact O-N 3.21Å; T99-K102 PolarHBondContact O-N 2.89Å; T99-V103 HydrophobicContact CG2-CG2 4.16Å; T99-V103 VanDerWaalsContact O-CB 3.29Å; T99-V103 WeakPolarHBondContact O-CB 2.99Å; T99-V103 WeakPolarHBondContact O-CG2 3.44Å; T99-V103 PolarHBondContact O-N 3.43Å
100I96.1Very high91.5Very high0 Ų043.9 Ų43.90%025%0.246CC..Iπ-helixtrans-57.4-45.3177.4-68.2166.3000111.1L41 A96 S98 H104 L105 P119 I120 L123L41-I100 HydrophobicContact CD2-CD1 4.48Å; L41-I100 HydrophobicContact CD2-CG1 3.85Å; A96-I100 VanDerWaalsContact O-CG1 3.26Å; A96-I100 WeakPolarHBondContact O-CG1 3.37Å; A96-I100 PolarHBondContact O-N 3.13Å; S98-I100 PolarHBondContact O-N 3.47Å; I100-H104 PolarHBondContact O-N 3.44Å; I100-L105 HydrophobicContact CG2-CD1 3.9Å; I100-L105 HydrophobicContact CG2-CG 4.01Å; I100-L105 PolarHBondContact O-N 3.39Å; I100-P119 HydrophobicContact CB-CB 4.37Å; I100-P119 HydrophobicContact CB-CG 4.29Å; I100-P119 HydrophobicContact CG2-CB 3.76Å; I100-P119 HydrophobicContact CG2-CG 4.2Å; I100-I120 HydrophobicContact CD1-CB 3.8Å; I100-I120 HydrophobicContact CD1-CD1 4.06Å; I100-I120 HydrophobicContact CD1-CG1 4.46Å; I100-L123 HydrophobicContact CD1-CD2 4.5Å; I100-L123 HydrophobicContact CG1-CD2 4.05Å; I100-L123 HydrophobicContact CG2-CB 4.1Å; I100-L123 HydrophobicContact CG2-CD2 3.93Å
101R95Very high91.4Very high31 Ų3143.8 Ų43.812%0.11725%0.252CS..Iπ-helixtrans-69.3-39.4-179-71.8-175.9-58.1-104.7-1.9113.7S97 S98 T99 A106 A112 Y113 Q114 P119S97-R101 WeakPolarHBondContact O-CG 3.48Å; S97-R101 VanDerWaalsContact O-CZ 3.29Å; S97-R101 PolarHBondContact O-N 2.91Å; S97-R101 PolarHBondContact O-NE 2.84Å; S98-R101 PolarHBondContact O-N 3.08Å; T99-R101 VanDerWaalsContact C-N 3.32Å; T99-R101 PolarHBondContact O-N 3.21Å; R101-A106 PolarHBondContact O-N 3.1Å; R101-A112 HydrophobicContact CB-CB 4.08Å; R101-A112 HydrophobicContact CG-CB 4.25Å; R101-A112 PolarHBondContact O-N 2.91Å; R101-Y113 WeakPolarHBondContact CD-O 3.03Å; R101-Q114 PolarHBondContact NH1-O 2.99Å; R101-P119 HydrophobicContact CG-CB 3.98Å; R101-P119 HydrophobicContact CG-CG 4.25Å
102K91.6Very high91.5Very high79 Ų7943.9 Ų43.934%0.34325%0.253SS..Iπ-helixtrans-85.7-25.8-173.7-68.9176.2-179.9-178.10113.7S98 T99 A106 E456S98-K102 WeakPolarHBondContact O-CB 3.4Å; S98-K102 WeakPolarHBondContact O-CG 3.49Å; S98-K102 PolarHBondContact O-N 3.3Å; S98-K102 WeakPolarHBondContact OG-CE 3.45Å; S98-K102 PolarHBondContact OG-NZ 2.71Å; T99-K102 PolarHBondContact O-N 2.89Å; K102-A106 WeakPolarHBondContact O-CB 3.47Å; K102-E456 WeakPolarHBondContact CE-OE1 3.05Å; K102-E456 IonicContact NZ-OE1 3.81Å; K102-E456 PolarHBondContact NZ-OE1 3.4Å; K102-E456 IonicContact NZ-OE2 3.81Å; K102-E456 PolarHBondContact NZ-OE2 3.49Å
103V91.9Very high91.6Very high99 Ų9944 Ų4460%0.625%0.251SS*.Iπ-helixtrans-110.2-57.7-176.3-176.70000110.7T99T99-V103 HydrophobicContact CG2-CG2 4.16Å; T99-V103 VanDerWaalsContact O-CB 3.29Å; T99-V103 WeakPolarHBondContact O-CB 2.99Å; T99-V103 WeakPolarHBondContact O-CG2 3.44Å; T99-V103 PolarHBondContact O-N 3.43Å
104H94.2Very high91.6Very high45 Ų4544 Ų4421%0.20825%0.249CC..Iπ-helixtrans-86.8-33-167.4-60.9-95.1000114E45 I100 L123 K126E45-H104 IonicContact OE2-CE1 3.22Å; E45-H104 IonicContact OE2-ND1 3.96Å; I100-H104 PolarHBondContact O-N 3.44Å; H104-L123 HydrophobicContact CB-CD1 3.66Å; H104-L123 HydrophobicContact CB-CD2 3.87Å; H104-L123 HydrophobicContact CB-CG 4.41Å; H104-K126 WeakPolarHBondContact O-CE 3.19Å
105L96.5Very high91.7Very high0 Ų040.2 Ų40.20%023%0.233CC..SBendtrans-102.7-3.8177.7-61.9-179.6000113.2I100 A112 P119 L122 L123 K126 W154 L157 F158I100-L105 HydrophobicContact CG2-CD1 3.9Å; I100-L105 HydrophobicContact CG2-CG 4.01Å; I100-L105 PolarHBondContact O-N 3.39Å; L105-A112 HydrophobicContact CB-CB 3.8Å; L105-P119 HydrophobicContact CD1-CB 4Å; L105-L122 HydrophobicContact CD1-CB 4.44Å; L105-L122 HydrophobicContact CD1-CD2 4.28Å; L105-L122 HydrophobicContact CD2-CD2 4.45Å; L105-L122 HydrophobicContact CD2-CG 4.31Å; L105-L123 HydrophobicContact CD2-CB 4.48Å; L105-K126 HydrophobicContact CD2-CD 3.89Å; L105-W154 PolarHBondContact O-NE1 3.23Å; L105-L157 HydrophobicContact CD1-CD1 4.17Å; L105-F158 WeakPolarHBondContact O-CZ 3.26Å
106A94Very high92Very high25 Ų2534.6 Ų34.621%0.20720%0.203CC..  trans-72.3150.1177.500000112R101 K102 E110R101-A106 PolarHBondContact O-N 3.1Å; K102-A106 WeakPolarHBondContact O-CB 3.47Å; A106-E110 CarbonylContact C-O 3.53Å; A106-E110 VanDerWaalsContact CA-O 3.26Å; A106-E110 WeakPolarHBondContact CA-O 3.49Å; A106-E110 VanDerWaalsContact CB-O 3.27Å; A106-E110 WeakPolarHBondContact CB-O 3.1Å
107L91.2Very high92.2Very high9 Ų937.6 Ų37.65%0.04721%0.212CC..BIsolated β-bridgetrans-135.3127.5178.9-67.9175.1000109.6S109 E110 W154 F158 Q162 K164 L165L107-S109 VanDerWaalsContact C-N 3.26Å; L107-S109 PolarHBondContact O-N 3.4Å; L107-S109 VanDerWaalsContact O-N 3.16Å; L107-E110 PolarHBondContact N-O 3.06Å; L107-E110 WeakPolarHBondContact O-CA 3.38Å; L107-E110 VanDerWaalsContact O-CB 3.32Å; L107-E110 WeakPolarHBondContact O-CB 3.31Å; L107-E110 PolarHBondContact O-N 3.46Å; L107-W154 HydrophobicContact CD1-CH2 4.41Å; L107-W154 HydrophobicContact CD1-CZ2 3.95Å; L107-W154 HydrophobicContact CD2-CH2 3.7Å; L107-W154 HydrophobicContact CD2-CZ2 3.57Å; L107-W154 HydrophobicContact CG-CH2 4.32Å; L107-W154 HydrophobicContact CG-CZ2 3.74Å; L107-F158 HydrophobicContact CB-CE1 4.15Å; L107-F158 HydrophobicContact CB-CE2 4.49Å; L107-F158 HydrophobicContact CB-CZ 3.85Å; L107-F158 HydrophobicContact CD1-CD2 4.35Å; L107-F158 HydrophobicContact CD1-CE2 3.61Å; L107-F158 HydrophobicContact CD1-CZ 3.8Å; L107-F158 HydrophobicContact CG-CE2 4.14Å; L107-F158 HydrophobicContact CG-CZ 3.8Å; L107-Q162 HydrophobicContact CB-CG 4.48Å; L107-Q162 HydrophobicContact CD1-CB 3.8Å; L107-Q162 HydrophobicContact CD1-CG 3.89Å; L107-K164 HydrophobicContact CD2-CB 4.18Å; L107-K164 HydrophobicContact CD2-CD 3.75Å; L107-L165 HydrophobicContact CD1-CD1 3.74Å; L107-L165 HydrophobicContact CD1-CD2 3.86Å; L107-L165 HydrophobicContact CD1-CG 3.59Å
108D82.5Confident92.2Very high21 Ų2138.3 Ų38.311%0.11222%0.215CC..THydrogen-bonded Turntrans48.745.8174.6-59.8-37.7000113.8E110 K164 R485D108-E110 PolarHBondContact O-N 2.79Å; D108-K164 WeakPolarHBondContact OD1-CE 3.42Å; D108-K164 IonicContact OD1-NZ 2.71Å; D108-K164 PolarHBondContact OD1-NZ 2.86Å; D108-R485 CarbonylContact O-C 3.52Å
109S82.8Confident92.4Very high63 Ų6337 Ų3744%0.44121%0.206SC..THydrogen-bonded Turntrans65.511-177.6-56.80000115.4L107 S482L107-S109 VanDerWaalsContact C-N 3.26Å; L107-S109 PolarHBondContact O-N 3.4Å; L107-S109 VanDerWaalsContact O-N 3.16Å; S109-S482 PolarHBondContact OG-O 2.98Å
110E87Confident92.6Very high36 Ų3634.1 Ų34.117%0.16819%0.187CC..BIsolated β-bridgetrans-92124.8164.9-57.2-169.2-177.800109.3A106 L107 D108 F158 Q162 Y486A106-E110 CarbonylContact C-O 3.53Å; A106-E110 VanDerWaalsContact CA-O 3.26Å; A106-E110 WeakPolarHBondContact CA-O 3.49Å; A106-E110 VanDerWaalsContact CB-O 3.27Å; A106-E110 WeakPolarHBondContact CB-O 3.1Å; L107-E110 PolarHBondContact N-O 3.06Å; L107-E110 WeakPolarHBondContact O-CA 3.38Å; L107-E110 VanDerWaalsContact O-CB 3.32Å; L107-E110 WeakPolarHBondContact O-CB 3.31Å; L107-E110 PolarHBondContact O-N 3.46Å; D108-E110 PolarHBondContact O-N 2.79Å; E110-F158 HydrophobicContact CB-CD1 4.05Å; E110-F158 HydrophobicContact CB-CE1 3.98Å; E110-Q162 PolarHBondContact OE2-NE2 2.84Å; E110-Y486 HydrophobicContact CG-CD2 3.74Å; E110-Y486 HydrophobicContact CG-CE2 3.66Å
111S88.9Confident92.6Very high48 Ų4834.1 Ų34.134%0.33619%0.188SC..PPolyproline II helixtrans-71.1144.8171.7177.20000110
112A94.1Very high92.8Very high2 Ų232.7 Ų32.72%0.01718%0.182CC..PPolyproline II helixtrans-59.5148.7165.400000111R101 L105 Q114 L157R101-A112 HydrophobicContact CB-CB 4.08Å; R101-A112 HydrophobicContact CG-CB 4.25Å; R101-A112 PolarHBondContact O-N 2.91Å; L105-A112 HydrophobicContact CB-CB 3.8Å; A112-Q114 PolarHBondContact O-N 2.77Å; A112-Q114 VanDerWaalsContact O-N 3.14Å; A112-L157 HydrophobicContact CB-CB 4.02Å; A112-L157 HydrophobicContact CB-CD1 3.76Å
113Y94.9Very high93Very high44 Ų4428.9 Ų28.917%0.17317%0.166CC..PPolyproline II helixtrans-48.4119.1-179.1177.9-115.8000112.7R101 G115 C116 L157 W400 L426R101-Y113 WeakPolarHBondContact CD-O 3.03Å; Y113-G115 PolarHBondContact O-N 3.04Å; Y113-C116 HydrophobicContact CD1-CB 4.4Å; Y113-C116 PolarHBondContact O-N 2.73Å; Y113-C116 PolarHBondContact O-SG 3.47Å; Y113-L157 WeakPolarHBondContact CB-O 3.28Å; Y113-L157 PolarHBondContact N-O 3.46Å; Y113-W400 HydrophobicContact CD1-CB 4.33Å; Y113-W400 AromaticContact CD1-CD2 3.56Å; Y113-W400 HydrophobicContact CD1-CD2 3.56Å; Y113-W400 AromaticContact CD1-CE2 3.86Å; Y113-W400 AromaticContact CD1-CE3 3.84Å; Y113-W400 HydrophobicContact CD1-CE3 3.84Å; Y113-W400 AromaticContact CD1-CG 3.78Å; Y113-W400 HydrophobicContact CD1-CG 3.78Å; Y113-W400 HydrophobicContact CD1-CZ2 4.42Å; Y113-W400 HydrophobicContact CD1-CZ3 4.35Å; Y113-W400 HydrophobicContact CE1-CB 3.45Å; Y113-W400 VanDerWaalsContact CE1-CB 3.45Å; Y113-W400 AromaticContact CE1-CD2 3.51Å; Y113-W400 HydrophobicContact CE1-CD2 3.51Å; Y113-W400 AromaticContact CE1-CE3 3.73Å; Y113-W400 HydrophobicContact CE1-CE3 3.73Å; Y113-W400 AromaticContact CE1-CG 3.39Å; Y113-W400 HydrophobicContact CE1-CG 3.39Å; Y113-W400 AromaticContact CZ-CG 3.91Å; Y113-W400 WeakPolarHBondContact OH-CB 3.11Å; Y113-L426 WeakPolarHBondContact CE2-O 3.38Å; Y113-L426 PolarHBondContact OH-O 2.86Å
114Q91.4Very high93.2Very high68 Ų6824.2 Ų24.232%0.31814%0.137SC..THydrogen-bonded Turntrans-67.4-20.3-172.262.2-172-47.100115.4R101 A112 K427R101-Q114 PolarHBondContact NH1-O 2.99Å; A112-Q114 PolarHBondContact O-N 2.77Å; A112-Q114 VanDerWaalsContact O-N 3.14Å; Q114-K427 HydrophobicContact CG-CB 4.29Å; Q114-K427 HydrophobicContact CG-CD 3.75Å
115G92Very high93.3Very high36 Ų3622.1 Ų22.137%0.37113%0.127SC..THydrogen-bonded Turntrans-86.10.6178.700000114.5Y113Y113-G115 PolarHBondContact O-N 3.04Å
116C95.4Very high93.3Very high4 Ų423.1 Ų23.13%0.02713%0.132CC..  trans-70.6134.5177.971.40000111.3F72 Y113 L157 W400F72-C116 HydrophobicContact CE2-CB 4.38Å; F72-C116 HydrophobicContact CZ-CB 4.12Å; Y113-C116 HydrophobicContact CD1-CB 4.4Å; Y113-C116 PolarHBondContact O-N 2.73Å; Y113-C116 PolarHBondContact O-SG 3.47Å; C116-L157 HydrophobicContact CB-CD2 3.84Å; C116-W400 HydrophobicContact CB-CH2 4.13Å; C116-W400 HydrophobicContact CB-CZ3 4.01Å
117R95Very high93.3Very high75 Ų7522 Ų2228%0.28312%0.122SC..SBendtrans-81.2140.2178.7-61.9-177-179.482.73.1110.6F72 D75 N76 Y378F72-R117 WeakPolarHBondContact CE2-O 3.46Å; D75-R117 HydrophobicContact CB-CB 4.22Å; D75-R117 WeakPolarHBondContact O-CD 3.45Å; D75-R117 PolarHBondContact O-NH1 3.34Å; N76-R117 PolarHBondContact ND2-O 2.98Å; N76-R117 PolarHBondContact OD1-N 3.48Å; R117-Y378 PolarHBondContact NH2-OH 2.75Å
118N95.3Very high93.4Very high28 Ų2821.8 Ų21.815%0.1512%0.121CC..  trans51.357.7172.9-53.6-52.4000113.7D75 R84 I120 L121D75-N118 PolarHBondContact OD2-ND2 3.44Å; R84-N118 HydrophobicContact CG-CB 4.25Å; R84-N118 VanDerWaalsContact CG-CG 3.44Å; R84-N118 WeakPolarHBondContact CG-ND2 3.5Å; N118-I120 PolarHBondContact O-N 3.23Å; N118-I120 VanDerWaalsContact O-N 3.08Å; N118-L121 HydrophobicContact CB-CD1 3.66Å; N118-L121 HydrophobicContact CB-CG 3.92Å; N118-L121 WeakPolarHBondContact O-CB 3.39Å; N118-L121 PolarHBondContact O-N 3Å
119P97.3Very high93.9Very high0 Ų020.9 Ų20.90%012%0.117CC..Hα-helixtrans-60.6-23.1-174.927.8-36.5000113.5I100 R101 L105 L121 L122 L123I100-P119 HydrophobicContact CB-CB 4.37Å; I100-P119 HydrophobicContact CB-CG 4.29Å; I100-P119 HydrophobicContact CG2-CB 3.76Å; I100-P119 HydrophobicContact CG2-CG 4.2Å; R101-P119 HydrophobicContact CG-CB 3.98Å; R101-P119 HydrophobicContact CG-CG 4.25Å; L105-P119 HydrophobicContact CD1-CB 4Å; P119-L121 PolarHBondContact O-N 3.43Å; P119-L122 PolarHBondContact O-N 3.04Å; P119-L123 PolarHBondContact O-N 3.33Å
120I96.6Very high94.3Very high3 Ų319.4 Ų19.42%0.01511%0.105CC..Hα-helixtrans-55.3-35172.1-175.459.2000112.8L41 L87 L91 I92 I100 N118 L122 L123 V124 W127L41-I120 HydrophobicContact CD1-CD1 4.02Å; L87-I120 HydrophobicContact CD1-CG2 4.01Å; L91-I120 HydrophobicContact CB-CG1 4.16Å; L91-I120 HydrophobicContact CD1-CG1 4.32Å; L91-I120 HydrophobicContact CD2-CD1 3.99Å; L91-I120 HydrophobicContact CD2-CG1 4.29Å; I92-I120 HydrophobicContact CG2-CG2 4.17Å; I100-I120 HydrophobicContact CD1-CB 3.8Å; I100-I120 HydrophobicContact CD1-CD1 4.06Å; I100-I120 HydrophobicContact CD1-CG1 4.46Å; N118-I120 PolarHBondContact O-N 3.23Å; N118-I120 VanDerWaalsContact O-N 3.08Å; I120-L122 PolarHBondContact O-N 3.12Å; I120-L123 HydrophobicContact CD1-CB 4.37Å; I120-L123 HydrophobicContact CD1-CD2 4.11Å; I120-L123 WeakPolarHBondContact O-CB 3.44Å; I120-L123 PolarHBondContact O-N 3.24Å; I120-L123 VanDerWaalsContact O-N 3.13Å; I120-V124 HydrophobicContact CD1-CG2 4.25Å; I120-V124 HydrophobicContact CG1-CG2 4.36Å; I120-V124 WeakPolarHBondContact O-CG2 3.27Å; I120-V124 PolarHBondContact O-N 3.44Å; I120-W127 HydrophobicContact CD1-CH2 4.47Å; I120-W127 HydrophobicContact CD1-CZ3 4.49Å
121L97.3Very high94Very high1 Ų121 Ų211%0.00511%0.114CC..Hα-helixtrans-64-42.9-179.9-62.9179.1000111.2L27 C68 C71 F72 R84 L87 N118 P119 L123 A125L27-L121 HydrophobicContact CD1-CD2 3.84Å; C68-L121 HydrophobicContact CB-CB 4.34Å; C68-L121 HydrophobicContact CB-CD2 4.3Å; C68-L121 VanDerWaalsContact CB-O 3.3Å; C68-L121 WeakPolarHBondContact CB-O 3.43Å; C68-L121 WeakPolarHBondContact O-CB 3.13Å; C71-L121 HydrophobicContact CB-CD1 3.8Å; F72-L121 HydrophobicContact CB-CB 3.9Å; F72-L121 HydrophobicContact CB-CD1 4.49Å; F72-L121 HydrophobicContact CD2-CB 4.29Å; R84-L121 HydrophobicContact CG-CD1 4.46Å; L87-L121 HydrophobicContact CD1-CD2 4.26Å; N118-L121 HydrophobicContact CB-CD1 3.66Å; N118-L121 HydrophobicContact CB-CG 3.92Å; N118-L121 WeakPolarHBondContact O-CB 3.39Å; N118-L121 PolarHBondContact O-N 3Å; P119-L121 PolarHBondContact O-N 3.43Å; L121-L123 VanDerWaalsContact C-N 3.33Å; L121-A125 PolarHBondContact O-N 3.14Å
122L98Very high92.9Very high0 Ų019.3 Ų19.30%010%0.103CC..Hα-helixtrans-70.6-32.2174.4-176.259.6000111.8L69 F72 L105 P119 I120 A125 K126 T150 V153 W154 L157L69-L122 HydrophobicContact CD1-CD1 3.98Å; F72-L122 HydrophobicContact CD1-CB 4.34Å; F72-L122 HydrophobicContact CD2-CB 3.83Å; F72-L122 HydrophobicContact CE1-CB 4.43Å; F72-L122 HydrophobicContact CE1-CD2 4.11Å; F72-L122 HydrophobicContact CE2-CB 3.93Å; F72-L122 HydrophobicContact CG-CB 4.04Å; F72-L122 HydrophobicContact CZ-CB 4.23Å; F72-L122 HydrophobicContact CZ-CD2 4.03Å; L105-L122 HydrophobicContact CD1-CB 4.44Å; L105-L122 HydrophobicContact CD1-CD2 4.28Å; L105-L122 HydrophobicContact CD2-CD2 4.45Å; L105-L122 HydrophobicContact CD2-CG 4.31Å; P119-L122 PolarHBondContact O-N 3.04Å; I120-L122 PolarHBondContact O-N 3.12Å; L122-A125 PolarHBondContact O-N 3.39Å; L122-K126 VanDerWaalsContact O-CB 3.29Å; L122-K126 WeakPolarHBondContact O-CB 3.48Å; L122-K126 PolarHBondContact O-N 3.01Å; L122-T150 HydrophobicContact CD1-CG2 4.13Å; L122-V153 HydrophobicContact CD1-CB 4.44Å; L122-V153 HydrophobicContact CD1-CG1 3.95Å; L122-V153 HydrophobicContact CD2-CG1 4.35Å; L122-W154 HydrophobicContact CD2-CB 4.2Å; L122-W154 HydrophobicContact CD2-CG 4.43Å; L122-L157 HydrophobicContact CD2-CD1 3.57Å; L122-L157 HydrophobicContact CD2-CG 4.37Å
123L97.1Very high91.5Very high0 Ų027.6 Ų27.60%015%0.146CC..Hα-helixtrans-64.1-42.8175.5179.456.4000112L41 I100 H104 L105 P119 I120 L121 K126 W127L41-L123 HydrophobicContact CD1-CD2 4.37Å; I100-L123 HydrophobicContact CD1-CD2 4.5Å; I100-L123 HydrophobicContact CG1-CD2 4.05Å; I100-L123 HydrophobicContact CG2-CB 4.1Å; I100-L123 HydrophobicContact CG2-CD2 3.93Å; H104-L123 HydrophobicContact CB-CD1 3.66Å; H104-L123 HydrophobicContact CB-CD2 3.87Å; H104-L123 HydrophobicContact CB-CG 4.41Å; L105-L123 HydrophobicContact CD2-CB 4.48Å; P119-L123 PolarHBondContact O-N 3.33Å; I120-L123 HydrophobicContact CD1-CB 4.37Å; I120-L123 HydrophobicContact CD1-CD2 4.11Å; I120-L123 WeakPolarHBondContact O-CB 3.44Å; I120-L123 PolarHBondContact O-N 3.24Å; I120-L123 VanDerWaalsContact O-N 3.13Å; L121-L123 VanDerWaalsContact C-N 3.33Å; L123-K126 HydrophobicContact CD1-CD 4.36Å; L123-K126 WeakPolarHBondContact O-CB 3.36Å; L123-K126 PolarHBondContact O-N 3.38Å; L123-W127 HydrophobicContact CD1-CD2 4.23Å; L123-W127 HydrophobicContact CD1-CZ2 3.89Å; L123-W127 HydrophobicContact CD2-CH2 3.73Å; L123-W127 HydrophobicContact CD2-CZ2 3.48Å; L123-W127 VanDerWaalsContact CD2-CZ2 3.48Å; L123-W127 HydrophobicContact CG-CD2 4.06Å; L123-W127 HydrophobicContact CG-CE3 4.36Å; L123-W127 HydrophobicContact CG-CH2 3.86Å; L123-W127 HydrophobicContact CG-CZ2 3.53Å; L123-W127 HydrophobicContact CG-CZ3 4.26Å; L123-W127 PolarHBondContact O-N 3.23Å
124V95.8Very high90.2Very high1 Ų128 Ų281%0.00615%0.148CC..Hα-helixtrans-62.9-45.3174.7173.90000110.9F44 Y48 L64 C68 I120 K126 W127 T128F44-V124 HydrophobicContact CE1-CG2 4.22Å; Y48-V124 HydrophobicContact CE1-CG1 4.13Å; Y48-V124 HydrophobicContact CE2-CG1 3.95Å; L64-V124 HydrophobicContact CG-CG1 4.42Å; C68-V124 HydrophobicContact CB-CB 4.1Å; C68-V124 HydrophobicContact CB-CG1 4.11Å; I120-V124 HydrophobicContact CD1-CG2 4.25Å; I120-V124 HydrophobicContact CG1-CG2 4.36Å; I120-V124 WeakPolarHBondContact O-CG2 3.27Å; I120-V124 PolarHBondContact O-N 3.44Å; V124-K126 VanDerWaalsContact C-N 3.31Å; V124-K126 PolarHBondContact O-N 3.26Å; V124-W127 HydrophobicContact CG2-CE3 4.1Å; V124-W127 HydrophobicContact CG2-CZ3 4.07Å; V124-W127 PolarHBondContact O-N 2.95Å; V124-T128 PolarHBondContact O-N 3.42Å; V124-T128 PolarHBondContact O-OG1 3.41Å
125A96.4Very high89.1Confident0 Ų028.8 Ų28.80%017%0.166CC..Hα-helixtrans-59.5-41.7173.900000111.9L69 L121 L122 W127 T128 F129 T150L69-A125 HydrophobicContact CB-CB 3.84Å; L69-A125 HydrophobicContact CD1-CB 4.23Å; L121-A125 PolarHBondContact O-N 3.14Å; L122-A125 PolarHBondContact O-N 3.39Å; A125-W127 PolarHBondContact O-N 3.44Å; A125-T128 PolarHBondContact O-N 3.38Å; A125-F129 HydrophobicContact CB-CD2 4.32Å; A125-F129 HydrophobicContact CB-CE2 4.47Å; A125-F129 WeakPolarHBondContact O-CD2 3.43Å; A125-F129 PolarHBondContact O-N 3.1Å; A125-T150 HydrophobicContact CB-CG2 4.17Å
126K95.7Very high88.2Confident21 Ų2128 Ų289%0.09116%0.155CC..Hα-helixtrans-61.6-42.9175.3175-178.3175.7-70.20112H104 L105 L122 L123 V124 T128 V130 N131 W154H104-K126 WeakPolarHBondContact O-CE 3.19Å; L105-K126 HydrophobicContact CD2-CD 3.89Å; L122-K126 VanDerWaalsContact O-CB 3.29Å; L122-K126 WeakPolarHBondContact O-CB 3.48Å; L122-K126 PolarHBondContact O-N 3.01Å; L123-K126 HydrophobicContact CD1-CD 4.36Å; L123-K126 WeakPolarHBondContact O-CB 3.36Å; L123-K126 PolarHBondContact O-N 3.38Å; V124-K126 VanDerWaalsContact C-N 3.31Å; V124-K126 PolarHBondContact O-N 3.26Å; K126-T128 VanDerWaalsContact C-N 3.27Å; K126-T128 PolarHBondContact O-N 3.5Å; K126-V130 HydrophobicContact CG-CB 4.2Å; K126-V130 WeakPolarHBondContact O-CB 3.47Å; K126-V130 PolarHBondContact O-N 3.2Å; K126-N131 PolarHBondContact NZ-ND2 3.32Å; K126-N131 PolarHBondContact NZ-OD1 3.45Å; K126-N131 PolarHBondContact O-N 2.91Å; K126-W154 HydrophobicContact CD-CE3 4.23Å; K126-W154 HydrophobicContact CD-CH2 3.82Å; K126-W154 HydrophobicContact CD-CZ2 4.08Å; K126-W154 HydrophobicContact CD-CZ3 3.9Å; K126-W154 HydrophobicContact CG-CZ3 4.3Å
127W93.8Very high87.4Confident2 Ų228.8 Ų28.81%0.00816%0.162CC..Hα-helixtrans-62.6-36.6174.6-69.4-34.2000112.4L41 F44 E45 Y48 L52 I120 L123 V124 A125L41-W127 HydrophobicContact CD1-CH2 4.06Å; F44-W127 HydrophobicContact CD1-CH2 4.21Å; F44-W127 AromaticContact CD1-CZ3 3.89Å; F44-W127 HydrophobicContact CD1-CZ3 3.89Å; F44-W127 AromaticContact CE1-CZ3 3.94Å; F44-W127 HydrophobicContact CE1-CZ3 3.94Å; E45-W127 HydrophobicContact CB-CH2 3.71Å; E45-W127 HydrophobicContact CB-CZ2 3.56Å; E45-W127 VanDerWaalsContact CD-CZ2 3.42Å; E45-W127 HydrophobicContact CG-CH2 4.08Å; E45-W127 HydrophobicContact CG-CZ2 3.45Å; E45-W127 VanDerWaalsContact CG-CZ2 3.45Å; E45-W127 PolarHBondContact OE1-NE1 2.87Å; Y48-W127 HydrophobicContact CD1-CB 3.87Å; Y48-W127 HydrophobicContact CD1-CD2 4.36Å; Y48-W127 AromaticContact CD1-CE3 3.77Å; Y48-W127 HydrophobicContact CD1-CE3 3.77Å; Y48-W127 HydrophobicContact CD1-CG 4.47Å; Y48-W127 HydrophobicContact CE1-CB 3.86Å; Y48-W127 HydrophobicContact CE1-CE3 4.38Å; Y48-W127 HydrophobicContact CG-CE3 4.19Å; L52-W127 HydrophobicContact CD1-CB 4.45Å; L52-W127 WeakPolarHBondContact CD1-O 3.34Å; I120-W127 HydrophobicContact CD1-CH2 4.47Å; I120-W127 HydrophobicContact CD1-CZ3 4.49Å; L123-W127 HydrophobicContact CD1-CD2 4.23Å; L123-W127 HydrophobicContact CD1-CZ2 3.89Å; L123-W127 HydrophobicContact CD2-CH2 3.73Å; L123-W127 HydrophobicContact CD2-CZ2 3.48Å; L123-W127 VanDerWaalsContact CD2-CZ2 3.48Å; L123-W127 HydrophobicContact CG-CD2 4.06Å; L123-W127 HydrophobicContact CG-CE3 4.36Å; L123-W127 HydrophobicContact CG-CH2 3.86Å; L123-W127 HydrophobicContact CG-CZ2 3.53Å; L123-W127 HydrophobicContact CG-CZ3 4.26Å; L123-W127 PolarHBondContact O-N 3.23Å; V124-W127 HydrophobicContact CG2-CE3 4.1Å; V124-W127 HydrophobicContact CG2-CZ3 4.07Å; V124-W127 PolarHBondContact O-N 2.95Å; A125-W127 PolarHBondContact O-N 3.44Å
128T93.7Very high86.8Confident5 Ų530.7 Ų30.73%0.03119%0.186CC..Hα-helixtrans-73.2-41-177.9-470000112.9Y48 L52 G65 V124 A125 K126 S132 Y143Y48-T128 PolarHBondContact OH-OG1 3.2Å; L52-T128 HydrophobicContact CD2-CG2 4.28Å; G65-T128 WeakPolarHBondContact CA-OG1 3.46Å; V124-T128 PolarHBondContact O-N 3.42Å; V124-T128 PolarHBondContact O-OG1 3.41Å; A125-T128 PolarHBondContact O-N 3.38Å; K126-T128 VanDerWaalsContact C-N 3.27Å; K126-T128 PolarHBondContact O-N 3.5Å; T128-S132 PolarHBondContact O-OG 3.08Å; T128-Y143 WeakPolarHBondContact O-CE2 3.45Å
129F93.6Very high86.4Confident2 Ų233.8 Ų33.81%0.00920%0.201CC..Hα-helixtrans-115.3-28.1-165.8-57-57.4000114.5F62 V66 A125 Y143 W146 T147 T150F62-F129 AromaticContact CD2-CE1 3.86Å; F62-F129 HydrophobicContact CD2-CE1 3.86Å; F62-F129 AromaticContact CE2-CE1 3.72Å; F62-F129 HydrophobicContact CE2-CE1 3.72Å; F62-F129 HydrophobicContact CZ-CE1 4.29Å; V66-F129 HydrophobicContact CG2-CZ 3.86Å; A125-F129 HydrophobicContact CB-CD2 4.32Å; A125-F129 HydrophobicContact CB-CE2 4.47Å; A125-F129 WeakPolarHBondContact O-CD2 3.43Å; A125-F129 PolarHBondContact O-N 3.1Å; F129-Y143 HydrophobicContact CD1-CD2 4.13Å; F129-Y143 HydrophobicContact CD1-CE2 4.04Å; F129-Y143 PolarHBondContact O-OH 3.06Å; F129-W146 HydrophobicContact CD1-CB 3.69Å; F129-W146 HydrophobicContact CD2-CB 4.12Å; F129-W146 HydrophobicContact CE1-CB 3.55Å; F129-W146 HydrophobicContact CE1-CG 4.09Å; F129-W146 HydrophobicContact CE2-CB 4Å; F129-W146 HydrophobicContact CG-CB 3.98Å; F129-W146 HydrophobicContact CZ-CB 3.72Å; F129-W146 HydrophobicContact CZ-CG 4.04Å; F129-T147 HydrophobicContact CB-CG2 4.49Å; F129-T147 WeakPolarHBondContact O-CG2 3.47Å; F129-T147 PolarHBondContact O-OG1 3.42Å; F129-T150 WeakPolarHBondContact CD2-OG1 3.43Å
130V91.4Very high86Confident32 Ų3234.3 Ų34.319%0.19420%0.204CC..THydrogen-bonded Turntrans-105.7-38.6-172.5-176.80000112.6K126 S132 T147 T150 V151 W154 V168K126-V130 HydrophobicContact CG-CB 4.2Å; K126-V130 WeakPolarHBondContact O-CB 3.47Å; K126-V130 PolarHBondContact O-N 3.2Å; V130-S132 VanDerWaalsContact C-N 3.3Å; V130-S132 PolarHBondContact O-N 3.18Å; V130-T147 HydrophobicContact CG2-CG2 4.16Å; V130-T150 HydrophobicContact CG2-CG2 3.88Å; V130-V151 HydrophobicContact CG2-CG2 4.04Å; V130-W154 HydrophobicContact CG1-CZ3 4.25Å; V130-V168 HydrophobicContact CG1-CG1 4.44Å; V130-V168 HydrophobicContact CG1-CG2 4.4Å
131N80.8Confident85.6Confident69 Ų6936.3 Ų36.337%0.36922%0.221SC..SBendtrans-899.8-173.8-8115000114K126K126-N131 PolarHBondContact NZ-ND2 3.32Å; K126-N131 PolarHBondContact NZ-OD1 3.45Å; K126-N131 PolarHBondContact O-N 2.91Å
132S65.4Low85.4Confident13 Ų1336.3 Ų36.39%0.09122%0.22CC..  trans-111.797.3-157.821.20000111.8T128 V130 Y134 Y143T128-S132 PolarHBondContact O-OG 3.08Å; V130-S132 VanDerWaalsContact C-N 3.3Å; V130-S132 PolarHBondContact O-N 3.18Å; S132-Y134 PolarHBondContact O-N 3.41Å; S132-Y143 VanDerWaalsContact CB-OH 3.31Å; S132-Y143 WeakPolarHBondContact CB-OH 3.47Å; S132-Y143 PolarHBondContact O-OH 2.66Å; S132-Y143 PolarHBondContact OG-OH 2.92Å
133D64.5Low85.1Confident175 Ų17537.4 Ų37.494%0.93623%0.225SC*.  trans-83.434.1161.8-70.4-29.4000110.8
134Y68.9Low84.8Confident54 Ų5440.1 Ų40.121%0.21224%0.239CC..  trans-86.5139.7-173.9-56.7-59.3000111.6L52 T53 S132 S136 A137L52-Y134 HydrophobicContact CB-CD2 3.74Å; L52-Y134 HydrophobicContact CB-CE2 3.57Å; L52-Y134 HydrophobicContact CB-CG 4.39Å; L52-Y134 HydrophobicContact CD1-CD2 4.32Å; L52-Y134 HydrophobicContact CD1-CE2 3.65Å; L52-Y134 HydrophobicContact CG-CE2 4.21Å; T53-Y134 HydrophobicContact CG2-CD1 3.44Å; T53-Y134 VanDerWaalsContact CG2-CD1 3.44Å; T53-Y134 HydrophobicContact CG2-CE1 3.25Å; S132-Y134 PolarHBondContact O-N 3.41Å; Y134-S136 PolarHBondContact O-N 3.4Å; Y134-A137 WeakPolarHBondContact O-CB 3.21Å; Y134-A137 PolarHBondContact O-N 3.36Å
135A66.5Low84.7Confident84 Ų8440.2 Ų40.269%0.69424%0.24SC*.G310 helixtrans-56.5-23.4177.700000113.4A137 S138A135-A137 VanDerWaalsContact C-N 3.34Å; A135-A137 PolarHBondContact O-N 2.99Å; A135-S138 PolarHBondContact O-OG 2.97Å
136S73.1Confident84.6Confident19 Ų1940.2 Ų40.213%0.13324%0.24CC..G310 helixtrans-75.4-14.8178.854.50000114.2L52 Y134 S138 M139 F140L52-S136 PolarHBondContact O-OG 3.24Å; Y134-S136 PolarHBondContact O-N 3.4Å; S136-S138 PolarHBondContact O-N 3.1Å; S136-M139 WeakPolarHBondContact O-CB 3.29Å; S136-M139 PolarHBondContact O-N 3.31Å; S136-F140 WeakPolarHBondContact O-CD2 3.44Å; S136-F140 WeakPolarHBondContact O-CE2 3.36Å
137A80.5Confident84.5Confident21 Ų2139.4 Ų39.417%0.17424%0.236CC..G310 helixtrans-58.4-38178.400000112Y134 A135 M139 F140 Y143Y134-A137 WeakPolarHBondContact O-CB 3.21Å; Y134-A137 PolarHBondContact O-N 3.36Å; A135-A137 VanDerWaalsContact C-N 3.34Å; A135-A137 PolarHBondContact O-N 2.99Å; A137-M139 PolarHBondContact O-N 3.48Å; A137-F140 PolarHBondContact O-N 3.42Å; A137-Y143 HydrophobicContact CB-CD1 4.06Å; A137-Y143 HydrophobicContact CB-CD2 4Å; A137-Y143 HydrophobicContact CB-CE1 3.89Å; A137-Y143 HydrophobicContact CB-CE2 3.81Å; A137-Y143 HydrophobicContact CB-CG 4.11Å
138S82.4Confident84.6Confident114 Ų11439.5 Ų39.580%0.79724%0.237SC*.G310 helixtrans-69.4-7.917652.10000114.4A135 S136 F140A135-S138 PolarHBondContact O-OG 2.97Å; S136-S138 PolarHBondContact O-N 3.1Å; S138-F140 VanDerWaalsContact C-N 3.27Å
139M85.2Confident84.7Confident94 Ų9439.7 Ų39.746%0.46324%0.237SC..G310 helixtrans-72.3-22.8174.1-170.3178.317700112.2A58 V59 S136 A137A58-M139 HydrophobicContact CB-SD 4.42Å; V59-M139 HydrophobicContact CG2-CE 3.65Å; V59-M139 HydrophobicContact CG2-SD 4.32Å; S136-M139 WeakPolarHBondContact O-CB 3.29Å; S136-M139 PolarHBondContact O-N 3.31Å; A137-M139 PolarHBondContact O-N 3.48Å
140F89Confident84.8Confident11 Ų1139.6 Ų39.65%0.04824%0.237CC..  trans-116.3115.7-172.4-52.7-89.1000110.3M12 A58 V59 F62 S136 A137 S138 T142 Y143M12-F140 HydrophobicContact CE-CD1 3.41Å; M12-F140 VanDerWaalsContact CE-CD1 3.41Å; M12-F140 HydrophobicContact CE-CE1 3.32Å; A58-F140 HydrophobicContact CB-CE2 4.49Å; A58-F140 HydrophobicContact CB-CZ 4.43Å; V59-F140 HydrophobicContact CG2-CE1 4.3Å; V59-F140 HydrophobicContact CG2-CZ 4.23Å; F62-F140 HydrophobicContact CB-CD1 4.16Å; F62-F140 HydrophobicContact CB-CE1 3.55Å; F62-F140 HydrophobicContact CB-CE2 4.01Å; F62-F140 HydrophobicContact CB-CZ 3.49Å; F62-F140 VanDerWaalsContact CB-CZ 3.49Å; F62-F140 AromaticContact CD1-CD1 3.74Å; F62-F140 HydrophobicContact CD1-CD1 3.74Å; F62-F140 AromaticContact CD1-CE1 3.83Å; F62-F140 HydrophobicContact CD1-CE1 3.83Å; F62-F140 HydrophobicContact CD1-CG 4.43Å; F62-F140 HydrophobicContact CD2-CB 4.01Å; F62-F140 AromaticContact CD2-CD1 3.51Å; F62-F140 HydrophobicContact CD2-CD1 3.51Å; F62-F140 AromaticContact CD2-CD2 3.52Å; F62-F140 HydrophobicContact CD2-CD2 3.52Å; F62-F140 AromaticContact CD2-CE1 3.79Å; F62-F140 HydrophobicContact CD2-CE1 3.79Å; F62-F140 AromaticContact CD2-CE2 3.8Å; F62-F140 HydrophobicContact CD2-CE2 3.8Å; F62-F140 AromaticContact CD2-CG 3.39Å; F62-F140 HydrophobicContact CD2-CG 3.39Å; F62-F140 AromaticContact CD2-CZ 3.95Å; F62-F140 HydrophobicContact CD2-CZ 3.95Å; F62-F140 AromaticContact CE1-CD1 3.91Å; F62-F140 HydrophobicContact CE1-CD1 3.91Å; F62-F140 HydrophobicContact CE1-CE1 4.46Å; F62-F140 HydrophobicContact CE1-CG 4.44Å; F62-F140 HydrophobicContact CE2-CB 3.45Å; F62-F140 VanDerWaalsContact CE2-CB 3.45Å; F62-F140 AromaticContact CE2-CD1 3.68Å; F62-F140 HydrophobicContact CE2-CD1 3.68Å; F62-F140 AromaticContact CE2-CD2 3.88Å; F62-F140 HydrophobicContact CE2-CD2 3.88Å; F62-F140 HydrophobicContact CE2-CE1 4.41Å; F62-F140 AromaticContact CE2-CG 3.39Å; F62-F140 HydrophobicContact CE2-CG 3.39Å; F62-F140 AromaticContact CG-CD1 3.52Å; F62-F140 HydrophobicContact CG-CD1 3.52Å; F62-F140 HydrophobicContact CG-CD2 4.19Å; F62-F140 AromaticContact CG-CE1 3.44Å; F62-F140 HydrophobicContact CG-CE1 3.44Å; F62-F140 VanDerWaalsContact CG-CE1 3.44Å; F62-F140 HydrophobicContact CG-CE2 4.12Å; F62-F140 AromaticContact CG-CG 3.93Å; F62-F140 HydrophobicContact CG-CG 3.93Å; F62-F140 AromaticContact CG-CZ 3.78Å; F62-F140 HydrophobicContact CG-CZ 3.78Å; F62-F140 HydrophobicContact CZ-CB 3.82Å; F62-F140 AromaticContact CZ-CD1 3.86Å; F62-F140 HydrophobicContact CZ-CD1 3.86Å; F62-F140 AromaticContact CZ-CG 3.94Å; F62-F140 HydrophobicContact CZ-CG 3.94Å; S136-F140 WeakPolarHBondContact O-CD2 3.44Å; S136-F140 WeakPolarHBondContact O-CE2 3.36Å; A137-F140 PolarHBondContact O-N 3.42Å; S138-F140 VanDerWaalsContact C-N 3.27Å; F140-T142 PolarHBondContact O-N 3.41Å; F140-Y143 WeakPolarHBondContact O-CB 3.41Å; F140-Y143 PolarHBondContact O-N 3.29Å
141A89.1Confident85.1Confident45 Ų4538.2 Ų38.237%0.37223%0.229SC..THydrogen-bonded Turntrans-64.6-26-179.100000112.3E16 F186E16-A141 PolarHBondContact OE1-N 2.88Å; E16-A141 PolarHBondContact OE2-N 3.09Å; E16-A141 VanDerWaalsContact OE2-N 3.12Å; A141-F186 HydrophobicContact CB-CE2 3.7Å; A141-F186 HydrophobicContact CB-CZ 4.03Å
142T92.2Very high85.8Confident0 Ų036 Ų360%022%0.215CC..THydrogen-bonded Turntrans-94.62.1-177.668.50000113.6E16 L20 F140 N144 L145 W146 L183 F186E16-T142 HydrophobicContact CB-CG2 3.9Å; E16-T142 HydrophobicContact CG-CG2 4.48Å; E16-T142 VanDerWaalsContact OE2-CB 3.25Å; E16-T142 WeakPolarHBondContact OE2-CB 3.4Å; E16-T142 VanDerWaalsContact OE2-CG2 3.32Å; E16-T142 WeakPolarHBondContact OE2-CG2 3.21Å; E16-T142 PolarHBondContact OE2-N 2.99Å; E16-T142 PolarHBondContact OE2-OG1 2.92Å; L20-T142 HydrophobicContact CD1-CG2 3.43Å; L20-T142 VanDerWaalsContact CD1-CG2 3.43Å; L20-T142 HydrophobicContact CG-CG2 4.11Å; F140-T142 PolarHBondContact O-N 3.41Å; T142-N144 VanDerWaalsContact C-N 3.32Å; T142-N144 PolarHBondContact O-N 3.36Å; T142-L145 WeakPolarHBondContact O-CB 3.07Å; T142-L145 PolarHBondContact O-N 2.67Å; T142-W146 VanDerWaalsContact O-CD1 3.27Å; T142-W146 PolarHBondContact O-N 3.28Å; T142-W146 VanDerWaalsContact O-N 3.07Å; T142-W146 PolarHBondContact OG1-NE1 3.16Å; T142-L183 HydrophobicContact CG2-CD2 4.31Å; T142-F186 HydrophobicContact CG2-CE1 3.68Å; T142-F186 HydrophobicContact CG2-CE2 4.15Å; T142-F186 HydrophobicContact CG2-CZ 3.42Å; T142-F186 VanDerWaalsContact CG2-CZ 3.42Å
143Y91.7Very high87.3Confident23 Ų2335.5 Ų35.59%0.0921%0.212CC..Hα-helixtrans-52-47.3-177.8-179.1-91000113.2F62 T128 F129 S132 A137 F140 L145 W146 T147F62-Y143 HydrophobicContact CE2-CD2 4.18Å; T128-Y143 WeakPolarHBondContact O-CE2 3.45Å; F129-Y143 HydrophobicContact CD1-CD2 4.13Å; F129-Y143 HydrophobicContact CD1-CE2 4.04Å; F129-Y143 PolarHBondContact O-OH 3.06Å; S132-Y143 VanDerWaalsContact CB-OH 3.31Å; S132-Y143 WeakPolarHBondContact CB-OH 3.47Å; S132-Y143 PolarHBondContact O-OH 2.66Å; S132-Y143 PolarHBondContact OG-OH 2.92Å; A137-Y143 HydrophobicContact CB-CD1 4.06Å; A137-Y143 HydrophobicContact CB-CD2 4Å; A137-Y143 HydrophobicContact CB-CE1 3.89Å; A137-Y143 HydrophobicContact CB-CE2 3.81Å; A137-Y143 HydrophobicContact CB-CG 4.11Å; F140-Y143 WeakPolarHBondContact O-CB 3.41Å; F140-Y143 PolarHBondContact O-N 3.29Å; Y143-L145 VanDerWaalsContact C-N 3.27Å; Y143-L145 PolarHBondContact O-N 3.43Å; Y143-W146 PolarHBondContact O-N 3.07Å; Y143-T147 WeakPolarHBondContact CE1-OG1 3.34Å; Y143-T147 PolarHBondContact O-N 3.23Å; Y143-T147 PolarHBondContact O-OG1 3.5Å
144N91.3Very high88.9Confident58 Ų5827.9 Ų27.931%0.3117%0.17SC..Hα-helixtrans-62.4-36.6-179.9-70.9-13.4000111.6T142 T147 L148 F179T142-N144 VanDerWaalsContact C-N 3.32Å; T142-N144 PolarHBondContact O-N 3.36Å; N144-T147 WeakPolarHBondContact O-CB 3.48Å; N144-T147 PolarHBondContact O-N 2.93Å; N144-L148 WeakPolarHBondContact O-CG 3.32Å; N144-L148 PolarHBondContact O-N 3.39Å; N144-F179 HydrophobicContact CB-CE2 3.99Å; N144-F179 HydrophobicContact CB-CZ 4.3Å
145L92.8Very high90.1Very high3 Ų325.6 Ų25.62%0.01616%0.161CC..Hα-helixtrans-67.7-43.6177.3177.160.2000112L20 T142 Y143 T147 L148 R149 F179 V194L20-L145 HydrophobicContact CD1-CD2 3.75Å; L20-L145 HydrophobicContact CD2-CD2 3.38Å; L20-L145 HydrophobicContact CD2-CG 4.09Å; L20-L145 HydrophobicContact CG-CD2 4.23Å; T142-L145 WeakPolarHBondContact O-CB 3.07Å; T142-L145 PolarHBondContact O-N 2.67Å; Y143-L145 VanDerWaalsContact C-N 3.27Å; Y143-L145 PolarHBondContact O-N 3.43Å; L145-T147 PolarHBondContact O-N 2.95Å; L145-L148 PolarHBondContact O-N 3.38Å; L145-R149 WeakPolarHBondContact O-CG 3.29Å; L145-R149 PolarHBondContact O-N 2.94Å; L145-F179 HydrophobicContact CB-CE1 4.37Å; L145-F179 HydrophobicContact CB-CZ 4.06Å; L145-F179 HydrophobicContact CD1-CE1 4.43Å; L145-F179 HydrophobicContact CD1-CZ 4.48Å; L145-V194 HydrophobicContact CD1-CG1 4.24Å; L145-V194 HydrophobicContact CD1-CG2 3.91Å; L145-V194 HydrophobicContact CD2-CG2 3.31Å; L145-V194 HydrophobicContact CG-CG2 4.25Å
146W94.6Very high91.6Very high0 Ų023.9 Ų23.90%014%0.138CC..Hα-helixtrans-63.7-34173.6-72109.6000112.5M19 L20 F62 V66 L69 F129 T142 Y143 R149 T150M19-W146 HydrophobicContact CB-CZ2 4.07Å; M19-W146 WeakPolarHBondContact O-CH2 3.5Å; M19-W146 WeakPolarHBondContact O-CZ2 3.16Å; L20-W146 HydrophobicContact CD2-CD2 4.41Å; L20-W146 HydrophobicContact CD2-CH2 4.43Å; L20-W146 HydrophobicContact CD2-CZ2 3.63Å; L20-W146 HydrophobicContact CG-CZ2 4.3Å; F62-W146 AromaticContact CZ-CD1 3.47Å; F62-W146 VanDerWaalsContact CZ-CD1 3.47Å; F62-W146 HydrophobicContact CZ-CG 4.39Å; F62-W146 AromaticContact CZ-NE1 3.84Å; V66-W146 HydrophobicContact CB-CH2 4.35Å; V66-W146 HydrophobicContact CB-CZ2 4.33Å; V66-W146 HydrophobicContact CG1-CH2 3.45Å; V66-W146 VanDerWaalsContact CG1-CH2 3.45Å; V66-W146 HydrophobicContact CG1-CZ2 3.64Å; V66-W146 HydrophobicContact CG1-CZ3 3.96Å; V66-W146 HydrophobicContact CG2-CD2 3.75Å; V66-W146 HydrophobicContact CG2-CE3 4.16Å; V66-W146 HydrophobicContact CG2-CG 4.24Å; V66-W146 HydrophobicContact CG2-CH2 4.16Å; V66-W146 HydrophobicContact CG2-CZ2 3.74Å; V66-W146 HydrophobicContact CG2-CZ3 4.35Å; L69-W146 HydrophobicContact CD2-CE3 3.86Å; L69-W146 HydrophobicContact CD2-CZ3 4.13Å; F129-W146 HydrophobicContact CD1-CB 3.69Å; F129-W146 HydrophobicContact CD2-CB 4.12Å; F129-W146 HydrophobicContact CE1-CB 3.55Å; F129-W146 HydrophobicContact CE1-CG 4.09Å; F129-W146 HydrophobicContact CE2-CB 4Å; F129-W146 HydrophobicContact CG-CB 3.98Å; F129-W146 HydrophobicContact CZ-CB 3.72Å; F129-W146 HydrophobicContact CZ-CG 4.04Å; T142-W146 VanDerWaalsContact O-CD1 3.27Å; T142-W146 PolarHBondContact O-N 3.28Å; T142-W146 VanDerWaalsContact O-N 3.07Å; T142-W146 PolarHBondContact OG1-NE1 3.16Å; Y143-W146 PolarHBondContact O-N 3.07Å; W146-R149 VanDerWaalsContact CH2-NH1 3.34Å; W146-R149 PolarHBondContact O-N 3.42Å; W146-T150 WeakPolarHBondContact O-CB 3.42Å; W146-T150 PolarHBondContact O-N 2.89Å; W146-T150 PolarHBondContact O-OG1 3.24Å
147T94.9Very high92.7Very high3 Ų323.2 Ų23.22%0.01813%0.133CC..Hα-helixtrans-63.3-47.4172.1-50.60000111.1F129 V130 Y143 N144 L145 R149 T150 V151 V168 L172F129-T147 HydrophobicContact CB-CG2 4.49Å; F129-T147 WeakPolarHBondContact O-CG2 3.47Å; F129-T147 PolarHBondContact O-OG1 3.42Å; V130-T147 HydrophobicContact CG2-CG2 4.16Å; Y143-T147 WeakPolarHBondContact CE1-OG1 3.34Å; Y143-T147 PolarHBondContact O-N 3.23Å; Y143-T147 PolarHBondContact O-OG1 3.5Å; N144-T147 WeakPolarHBondContact O-CB 3.48Å; N144-T147 PolarHBondContact O-N 2.93Å; L145-T147 PolarHBondContact O-N 2.95Å; T147-R149 PolarHBondContact O-N 3.22Å; T147-T150 PolarHBondContact O-N 3.38Å; T147-V151 HydrophobicContact CG2-CG2 4.42Å; T147-V151 WeakPolarHBondContact O-CB 3.3Å; T147-V151 VanDerWaalsContact O-CG2 3.28Å; T147-V151 WeakPolarHBondContact O-CG2 3.45Å; T147-V151 PolarHBondContact O-N 2.9Å; T147-V168 HydrophobicContact CG2-CG1 4.32Å; T147-L172 HydrophobicContact CG2-CD1 3.33Å
148L94.4Very high93.3Very high4 Ų422.7 Ų22.72%0.02113%0.127CC..Hα-helixtrans-60.7-44.6175.8-69.9-173.8000112.4N144 L145 T150 V151 R152 Y169 L172 F179 L198 I201N144-L148 WeakPolarHBondContact O-CG 3.32Å; N144-L148 PolarHBondContact O-N 3.39Å; L145-L148 PolarHBondContact O-N 3.38Å; L148-T150 VanDerWaalsContact C-N 3.34Å; L148-T150 PolarHBondContact O-N 3.05Å; L148-V151 PolarHBondContact O-N 2.69Å; L148-R152 VanDerWaalsContact O-CB 3.29Å; L148-R152 WeakPolarHBondContact O-CB 3.47Å; L148-R152 PolarHBondContact O-N 2.87Å; L148-Y169 HydrophobicContact CD2-CD2 3.72Å; L148-Y169 HydrophobicContact CD2-CE2 4.48Å; L148-L172 HydrophobicContact CD2-CB 4.48Å; L148-L172 HydrophobicContact CD2-CD1 4.45Å; L148-F179 HydrophobicContact CD1-CD2 4.46Å; L148-F179 HydrophobicContact CD1-CE2 3.62Å; L148-F179 HydrophobicContact CD1-CZ 3.75Å; L148-L198 HydrophobicContact CD1-CD2 3.77Å; L148-I201 HydrophobicContact CB-CD1 4.34Å
149R95.8Very high93.5Very high10 Ų1022.4 Ų22.44%0.03812%0.123CC..Hα-helixtrans-59.2-44.5174.5-74178.8171.2179.7-3.8111.6L20 L69 L145 W146 T147 R152 V153 E197 F392L20-R149 PolarHBondContact O-NH1 3.37Å; L20-R149 PolarHBondContact O-NH2 3.06Å; L69-R149 HydrophobicContact CD2-CB 3.89Å; L145-R149 WeakPolarHBondContact O-CG 3.29Å; L145-R149 PolarHBondContact O-N 2.94Å; W146-R149 VanDerWaalsContact CH2-NH1 3.34Å; W146-R149 PolarHBondContact O-N 3.42Å; T147-R149 PolarHBondContact O-N 3.22Å; R149-R152 PolarHBondContact O-N 3.47Å; R149-V153 VanDerWaalsContact O-CG2 3.32Å; R149-V153 WeakPolarHBondContact O-CG2 3.46Å; R149-V153 PolarHBondContact O-N 2.95Å; R149-E197 WeakPolarHBondContact CG-OE2 3.44Å; R149-E197 IonicContact CZ-OE1 3.79Å; R149-E197 IonicContact CZ-OE2 2.62Å; R149-E197 IonicContact NE-OE1 2.88Å; R149-E197 PolarHBondContact NE-OE1 3Å; R149-E197 IonicContact NE-OE2 3.23Å; R149-E197 PolarHBondContact NE-OE2 3.43Å; R149-E197 IonicContact NH2-OE1 3.82Å; R149-E197 PolarHBondContact NH2-OE1 2.93Å; R149-E197 IonicContact NH2-OE2 3.1Å; R149-F392 HydrophobicContact CB-CD1 4.33Å; R149-F392 HydrophobicContact CB-CE1 4.06Å; R149-F392 HydrophobicContact CG-CD1 3.94Å; R149-F392 HydrophobicContact CG-CE1 4.1Å; R149-F392 HydrophobicContact CG-CG 4.37Å
150T96.9Very high93.6Very high0 Ų023 Ų230%012%0.12CC..Hα-helixtrans-63.5-47.2178.1-57.50000111.7L122 A125 F129 V130 W146 T147 L148 R152 V153 W154L122-T150 HydrophobicContact CD1-CG2 4.13Å; A125-T150 HydrophobicContact CB-CG2 4.17Å; F129-T150 WeakPolarHBondContact CD2-OG1 3.43Å; V130-T150 HydrophobicContact CG2-CG2 3.88Å; W146-T150 WeakPolarHBondContact O-CB 3.42Å; W146-T150 PolarHBondContact O-N 2.89Å; W146-T150 PolarHBondContact O-OG1 3.24Å; T147-T150 PolarHBondContact O-N 3.38Å; L148-T150 VanDerWaalsContact C-N 3.34Å; L148-T150 PolarHBondContact O-N 3.05Å; T150-R152 VanDerWaalsContact C-N 3.32Å; T150-R152 PolarHBondContact O-N 3.08Å; T150-V153 PolarHBondContact O-N 2.71Å; T150-W154 VanDerWaalsContact O-CB 3.26Å; T150-W154 WeakPolarHBondContact O-CB 3.46Å; T150-W154 PolarHBondContact O-N 2.94Å
151V96.3Very high93.6Very high3 Ų324.5 Ų24.52%0.01813%0.125CC..Hα-helixtrans-60.2-42.8177.4169.70000111.1V130 T147 L148 W154 Q155 L165 V168V130-V151 HydrophobicContact CG2-CG2 4.04Å; T147-V151 HydrophobicContact CG2-CG2 4.42Å; T147-V151 WeakPolarHBondContact O-CB 3.3Å; T147-V151 VanDerWaalsContact O-CG2 3.28Å; T147-V151 WeakPolarHBondContact O-CG2 3.45Å; T147-V151 PolarHBondContact O-N 2.9Å; L148-V151 PolarHBondContact O-N 2.69Å; V151-W154 PolarHBondContact O-N 3.31Å; V151-Q155 WeakPolarHBondContact O-CB 3.39Å; V151-Q155 PolarHBondContact O-N 3.02Å; V151-L165 HydrophobicContact CG1-CB 3.92Å; V151-L165 HydrophobicContact CG1-CD2 4.37Å; V151-V168 HydrophobicContact CG2-CB 4.26Å; V151-V168 HydrophobicContact CG2-CG1 3.69Å
152R95.6Very high93.8Very high21 Ų2122.6 Ų22.68%0.07911%0.108CC..Hα-helixtrans-64-48.6177.8-176.7-176.7178.4-156.9-4.9112.2L148 R149 T150 W154 Q155 H156 E200 F392 C395L148-R152 VanDerWaalsContact O-CB 3.29Å; L148-R152 WeakPolarHBondContact O-CB 3.47Å; L148-R152 PolarHBondContact O-N 2.87Å; R149-R152 PolarHBondContact O-N 3.47Å; T150-R152 VanDerWaalsContact C-N 3.32Å; T150-R152 PolarHBondContact O-N 3.08Å; R152-W154 VanDerWaalsContact C-N 3.29Å; R152-W154 PolarHBondContact O-N 3.32Å; R152-Q155 WeakPolarHBondContact O-CB 3.5Å; R152-Q155 PolarHBondContact O-N 3.38Å; R152-H156 PolarHBondContact O-CD2 3.01Å; R152-H156 VanDerWaalsContact O-CD2 3.26Å; R152-H156 PolarHBondContact O-N 3.1Å; R152-E200 IonicContact CZ-OE1 3.65Å; R152-E200 IonicContact CZ-OE2 3.45Å; R152-E200 IonicContact NE-OE1 3.48Å; R152-E200 IonicContact NE-OE2 2.64Å; R152-E200 PolarHBondContact NE-OE2 3.03Å; R152-E200 IonicContact NH1-OE2 3.51Å; R152-E200 IonicContact NH2-OE1 3.35Å; R152-E200 PolarHBondContact NH2-OE1 3.43Å; R152-E200 IonicContact NH2-OE2 2.99Å; R152-E200 PolarHBondContact NH2-OE2 3.09Å; R152-F392 PolarHBondContact NH1-O 2.7Å; R152-C395 PolarHBondContact NH2-SG 2.68Å
153V97.3Very high93.7Very high4 Ų424.5 Ų24.52%0.02412%0.118CC..Hα-helixtrans-61.7-40176.5171.20000110.9L69 F72 V73 F77 L122 R149 T150 H156 F392L69-V153 HydrophobicContact CD1-CB 4.18Å; L69-V153 HydrophobicContact CD1-CG1 4.25Å; L69-V153 HydrophobicContact CD1-CG2 4.17Å; F72-V153 HydrophobicContact CD1-CG1 3.49Å; F72-V153 VanDerWaalsContact CD1-CG1 3.49Å; F72-V153 HydrophobicContact CE1-CG1 3.46Å; F72-V153 VanDerWaalsContact CE1-CG1 3.46Å; V73-V153 HydrophobicContact CG2-CG2 3.86Å; F77-V153 HydrophobicContact CE2-CG1 4.09Å; F77-V153 HydrophobicContact CZ-CG1 4.18Å; F77-V153 HydrophobicContact CZ-CG2 4.33Å; L122-V153 HydrophobicContact CD1-CB 4.44Å; L122-V153 HydrophobicContact CD1-CG1 3.95Å; L122-V153 HydrophobicContact CD2-CG1 4.35Å; R149-V153 VanDerWaalsContact O-CG2 3.32Å; R149-V153 WeakPolarHBondContact O-CG2 3.46Å; R149-V153 PolarHBondContact O-N 2.95Å; T150-V153 PolarHBondContact O-N 2.71Å; V153-H156 WeakPolarHBondContact O-CB 3.39Å; V153-H156 PolarHBondContact O-N 2.68Å; V153-F392 HydrophobicContact CG2-CE1 4.25Å
154W97.6Very high93.6Very high14 Ų1427.5 Ų27.55%0.05313%0.132CC..Hα-helixtrans-65.2-39.6176.2-169.411.7000112.2L105 L107 L122 K126 V130 T150 V151 R152 H156 L157 F158 L165L105-W154 PolarHBondContact O-NE1 3.23Å; L107-W154 HydrophobicContact CD1-CH2 4.41Å; L107-W154 HydrophobicContact CD1-CZ2 3.95Å; L107-W154 HydrophobicContact CD2-CH2 3.7Å; L107-W154 HydrophobicContact CD2-CZ2 3.57Å; L107-W154 HydrophobicContact CG-CH2 4.32Å; L107-W154 HydrophobicContact CG-CZ2 3.74Å; L122-W154 HydrophobicContact CD2-CB 4.2Å; L122-W154 HydrophobicContact CD2-CG 4.43Å; K126-W154 HydrophobicContact CD-CE3 4.23Å; K126-W154 HydrophobicContact CD-CH2 3.82Å; K126-W154 HydrophobicContact CD-CZ2 4.08Å; K126-W154 HydrophobicContact CD-CZ3 3.9Å; K126-W154 HydrophobicContact CG-CZ3 4.3Å; V130-W154 HydrophobicContact CG1-CZ3 4.25Å; T150-W154 VanDerWaalsContact O-CB 3.26Å; T150-W154 WeakPolarHBondContact O-CB 3.46Å; T150-W154 PolarHBondContact O-N 2.94Å; V151-W154 PolarHBondContact O-N 3.31Å; R152-W154 VanDerWaalsContact C-N 3.29Å; R152-W154 PolarHBondContact O-N 3.32Å; W154-H156 PolarHBondContact O-N 3.47Å; W154-L157 WeakPolarHBondContact O-CB 3.36Å; W154-L157 PolarHBondContact O-N 3.06Å; W154-F158 AromaticContact CD1-CE2 3.84Å; W154-F158 AromaticContact NE1-CE2 3.74Å; W154-F158 WeakPolarHBondContact O-CD2 3.35Å; W154-L165 HydrophobicContact CB-CD1 4.44Å; W154-L165 HydrophobicContact CD2-CD1 4.42Å; W154-L165 HydrophobicContact CD2-CD2 3.81Å; W154-L165 HydrophobicContact CE3-CD2 3.29Å; W154-L165 HydrophobicContact CG-CD1 4.35Å; W154-L165 HydrophobicContact CG-CD2 4.5Å; W154-L165 HydrophobicContact CH2-CD2 4.15Å; W154-L165 HydrophobicContact CZ3-CD2 3.47Å; W154-L165 VanDerWaalsContact CZ3-CD2 3.47Å
155Q96.1Very high93.7Very high7 Ų724.8 Ų24.83%0.03312%0.117CC..Hα-helixtrans-60.4-30.5176.117859.18400112.9V151 R152 L157 F158 R160 L165 Y204V151-Q155 WeakPolarHBondContact O-CB 3.39Å; V151-Q155 PolarHBondContact O-N 3.02Å; R152-Q155 WeakPolarHBondContact O-CB 3.5Å; R152-Q155 PolarHBondContact O-N 3.38Å; Q155-L157 PolarHBondContact O-N 2.93Å; Q155-F158 PolarHBondContact O-N 3.12Å; Q155-F158 VanDerWaalsContact O-N 3.17Å; Q155-R160 PolarHBondContact NE2-O 3.33Å; Q155-L165 HydrophobicContact CB-CD1 3.74Å; Q155-Y204 HydrophobicContact CG-CD1 4.41Å; Q155-Y204 HydrophobicContact CG-CE1 3.43Å; Q155-Y204 VanDerWaalsContact CG-CE1 3.43Å; Q155-Y204 WeakPolarHBondContact CG-OH 3.45Å; Q155-Y204 PolarHBondContact NE2-OH 3.17Å
156H96.2Very high93.7Very high47 Ų4724.9 Ų24.922%0.21812%0.119CC..THydrogen-bonded Turntrans-67.6-14175.8-80.8-68.2000114.5F77 R152 V153 W154 F158 P398 W400F77-H156 HydrophobicContact CZ-CB 4.35Å; R152-H156 PolarHBondContact O-CD2 3.01Å; R152-H156 VanDerWaalsContact O-CD2 3.26Å; R152-H156 PolarHBondContact O-N 3.1Å; V153-H156 WeakPolarHBondContact O-CB 3.39Å; V153-H156 PolarHBondContact O-N 2.68Å; W154-H156 PolarHBondContact O-N 3.47Å; H156-F158 PolarHBondContact O-N 3Å; H156-P398 HydrophobicContact CB-CG 4.18Å; H156-W400 HydrophobicContact CB-CZ2 4.43Å; H156-W400 PolarHBondContact O-NE1 3.49Å
157L96.8Very high93.6Very high5 Ų529.1 Ų29.13%0.02614%0.142CC..THydrogen-bonded Turntrans-76.9-4.2173.8-55-174.4000113F72 L105 A112 Y113 C116 L122 W154 Q155 W400F72-L157 HydrophobicContact CZ-CD2 4.19Å; L105-L157 HydrophobicContact CD1-CD1 4.17Å; A112-L157 HydrophobicContact CB-CB 4.02Å; A112-L157 HydrophobicContact CB-CD1 3.76Å; Y113-L157 WeakPolarHBondContact CB-O 3.28Å; Y113-L157 PolarHBondContact N-O 3.46Å; C116-L157 HydrophobicContact CB-CD2 3.84Å; L122-L157 HydrophobicContact CD2-CD1 3.57Å; L122-L157 HydrophobicContact CD2-CG 4.37Å; W154-L157 WeakPolarHBondContact O-CB 3.36Å; W154-L157 PolarHBondContact O-N 3.06Å; Q155-L157 PolarHBondContact O-N 2.93Å; L157-W400 HydrophobicContact CD2-CH2 3.76Å; L157-W400 HydrophobicContact CD2-CZ2 3.73Å
158F93.1Very high93.4Very high10 Ų1030.8 Ų30.84%0.04415%0.151CC..SBendtrans-123.1141-179.1-57.1-84.7000111.1L105 L107 E110 W154 Q155 H156 R160 Q162L105-F158 WeakPolarHBondContact O-CZ 3.26Å; L107-F158 HydrophobicContact CB-CE1 4.15Å; L107-F158 HydrophobicContact CB-CE2 4.49Å; L107-F158 HydrophobicContact CB-CZ 3.85Å; L107-F158 HydrophobicContact CD1-CD2 4.35Å; L107-F158 HydrophobicContact CD1-CE2 3.61Å; L107-F158 HydrophobicContact CD1-CZ 3.8Å; L107-F158 HydrophobicContact CG-CE2 4.14Å; L107-F158 HydrophobicContact CG-CZ 3.8Å; E110-F158 HydrophobicContact CB-CD1 4.05Å; E110-F158 HydrophobicContact CB-CE1 3.98Å; W154-F158 AromaticContact CD1-CE2 3.84Å; W154-F158 AromaticContact NE1-CE2 3.74Å; W154-F158 WeakPolarHBondContact O-CD2 3.35Å; Q155-F158 PolarHBondContact O-N 3.12Å; Q155-F158 VanDerWaalsContact O-N 3.17Å; H156-F158 PolarHBondContact O-N 3Å; F158-R160 PolarHBondContact O-N 3.01Å; F158-Q162 HydrophobicContact CB-CG 3.91Å; F158-Q162 HydrophobicContact CD1-CG 4.15Å; F158-Q162 HydrophobicContact CD2-CG 3.75Å; F158-Q162 HydrophobicContact CE2-CG 4.31Å; F158-Q162 HydrophobicContact CG-CG 3.65Å
159P87.4Confident93.3Very high108 Ų10830.6 Ų30.670%0.70115%0.151SC*.SBendtrans-69.8-18.9179.428-34.7000113.1
160R86.4Confident93.1Very high107 Ų10733.4 Ų33.440%0.40417%0.172SC..SBendtrans-132.8156.9-179.6-66.6-175.3175.9-1100.5110.9Q155 F158 Q162 R491 D520Q155-R160 PolarHBondContact NE2-O 3.33Å; F158-R160 PolarHBondContact O-N 3.01Å; R160-Q162 PolarHBondContact O-N 3.38Å; R160-Q162 PolarHBondContact O-NE2 3.17Å; R160-R491 VanDerWaalsContact NH1-NH1 3.19Å; R160-D520 IonicContact NH1-OD1 2.78Å; R160-D520 PolarHBondContact NH1-OD1 3.22Å
161R90.1Very high92.8Very high43 Ų4337.9 Ų37.916%0.16220%0.203CC..  trans-48.2134.9171.4-81.2168.2-72.6-109.1-0.7110.6Y204 Y205 Y206 Q517R161-Y204 HydrophobicContact CB-CE1 4.34Å; R161-Y204 WeakPolarHBondContact CD-O 3.25Å; R161-Y204 HydrophobicContact CG-CD1 3.92Å; R161-Y204 HydrophobicContact CG-CE1 3.22Å; R161-Y204 HydrophobicContact CG-CE2 4.48Å; R161-Y204 PolarHBondContact NH1-O 2.86Å; R161-Y204 VanDerWaalsContact NH1-O 3.11Å; R161-Y205 HydrophobicContact CG-CE1 4.44Å; R161-Y206 VanDerWaalsContact CZ-CZ 3.4Å; R161-Y206 VanDerWaalsContact CZ-OH 3.28Å; R161-Y206 VanDerWaalsContact NH1-CZ 3.29Å; R161-Y206 PolarHBondContact NH1-OH 2.98Å; R161-Y206 VanDerWaalsContact NH2-CZ 3.33Å; R161-Y206 PolarHBondContact NH2-OH 3.33Å; R161-Q517 PolarHBondContact O-NE2 3Å; R161-Q517 PolarHBondContact O-OE1 3.06Å; R161-Q517 VanDerWaalsContact O-OE1 3.08Å
162Q91.7Very high92.4Very high4 Ų439.8 Ų39.82%0.01921%0.213CC..  trans-106.1126.5175.8-61.8-62-35.900109.4L107 E110 F158 R160 K164 L165 A166L107-Q162 HydrophobicContact CB-CG 4.48Å; L107-Q162 HydrophobicContact CD1-CB 3.8Å; L107-Q162 HydrophobicContact CD1-CG 3.89Å; E110-Q162 PolarHBondContact OE2-NE2 2.84Å; F158-Q162 HydrophobicContact CB-CG 3.91Å; F158-Q162 HydrophobicContact CD1-CG 4.15Å; F158-Q162 HydrophobicContact CD2-CG 3.75Å; F158-Q162 HydrophobicContact CE2-CG 4.31Å; F158-Q162 HydrophobicContact CG-CG 3.65Å; R160-Q162 PolarHBondContact O-N 3.38Å; R160-Q162 PolarHBondContact O-NE2 3.17Å; Q162-K164 VanDerWaalsContact C-N 3.31Å; Q162-K164 PolarHBondContact O-N 3.06Å; Q162-L165 HydrophobicContact CB-CB 4.37Å; Q162-L165 HydrophobicContact CB-CD1 4.14Å; Q162-L165 HydrophobicContact CB-CG 4.05Å; Q162-L165 PolarHBondContact O-N 3.48Å; Q162-A166 PolarHBondContact O-N 3.06Å; Q162-A166 VanDerWaalsContact O-N 3.08Å
163L90Very high92.2Very high40 Ų4038.9 Ų38.921%0.20921%0.209CC..Hα-helixtrans-58.6-41.2-176.7179.461.2000112.4L165 A166 N167 L516 P518L163-L165 VanDerWaalsContact C-N 3.29Å; L163-L165 PolarHBondContact O-N 2.92Å; L163-A166 WeakPolarHBondContact O-CB 3.36Å; L163-A166 PolarHBondContact O-N 3.48Å; L163-N167 VanDerWaalsContact O-CG 3.26Å; L163-N167 PolarHBondContact O-N 3.24Å; L163-N167 PolarHBondContact O-OD1 3.13Å; L163-L516 WeakPolarHBondContact CD2-O 3.37Å; L163-P518 HydrophobicContact CD1-CG 3.71Å; L163-P518 HydrophobicContact CD2-CG 4.07Å; L163-P518 HydrophobicContact CG-CG 4.45Å
164K90.7Very high91.8Very high86 Ų8644 Ų4437%0.37424%0.241SC..Hα-helixtrans-57.3-41.8178.2-74.3173.8169.6163.70112.6L107 D108 Q162 N167 V168L107-K164 HydrophobicContact CD2-CB 4.18Å; L107-K164 HydrophobicContact CD2-CD 3.75Å; D108-K164 WeakPolarHBondContact OD1-CE 3.42Å; D108-K164 IonicContact OD1-NZ 2.71Å; D108-K164 PolarHBondContact OD1-NZ 2.86Å; Q162-K164 VanDerWaalsContact C-N 3.31Å; Q162-K164 PolarHBondContact O-N 3.06Å; K164-N167 PolarHBondContact O-N 2.93Å; K164-V168 WeakPolarHBondContact O-CG2 3.49Å; K164-V168 PolarHBondContact O-N 3.21Å
165L93.4Very high91.6Very high1 Ų143.9 Ų43.91%0.00524%0.243CC..Hα-helixtrans-70.8-39.7177.9-60.2-172.9000111.8L107 V151 W154 Q155 Q162 L163 N167 V168 Y169L107-L165 HydrophobicContact CD1-CD1 3.74Å; L107-L165 HydrophobicContact CD1-CD2 3.86Å; L107-L165 HydrophobicContact CD1-CG 3.59Å; V151-L165 HydrophobicContact CG1-CB 3.92Å; V151-L165 HydrophobicContact CG1-CD2 4.37Å; W154-L165 HydrophobicContact CB-CD1 4.44Å; W154-L165 HydrophobicContact CD2-CD1 4.42Å; W154-L165 HydrophobicContact CD2-CD2 3.81Å; W154-L165 HydrophobicContact CE3-CD2 3.29Å; W154-L165 HydrophobicContact CG-CD1 4.35Å; W154-L165 HydrophobicContact CG-CD2 4.5Å; W154-L165 HydrophobicContact CH2-CD2 4.15Å; W154-L165 HydrophobicContact CZ3-CD2 3.47Å; W154-L165 VanDerWaalsContact CZ3-CD2 3.47Å; Q155-L165 HydrophobicContact CB-CD1 3.74Å; Q162-L165 HydrophobicContact CB-CB 4.37Å; Q162-L165 HydrophobicContact CB-CD1 4.14Å; Q162-L165 HydrophobicContact CB-CG 4.05Å; Q162-L165 PolarHBondContact O-N 3.48Å; L163-L165 VanDerWaalsContact C-N 3.29Å; L163-L165 PolarHBondContact O-N 2.92Å; L165-N167 PolarHBondContact O-N 3.46Å; L165-V168 PolarHBondContact O-N 3.3Å; L165-Y169 PolarHBondContact O-N 3.21Å
166A92Very high91.5Very high6 Ų643.7 Ų43.75%0.0524%0.243CC..Hα-helixtrans-60.2-35.5173.800000112.2Q162 L163 S170 Y205 L519Q162-A166 PolarHBondContact O-N 3.06Å; Q162-A166 VanDerWaalsContact O-N 3.08Å; L163-A166 WeakPolarHBondContact O-CB 3.36Å; L163-A166 PolarHBondContact O-N 3.48Å; A166-S170 WeakPolarHBondContact O-CB 3.36Å; A166-S170 PolarHBondContact O-N 3.35Å; A166-S170 PolarHBondContact O-OG 3.19Å; A166-Y205 HydrophobicContact CB-CD1 3.73Å; A166-Y205 HydrophobicContact CB-CE1 3.5Å; A166-L519 HydrophobicContact CB-CD1 4.06Å
167N92.3Very high91.4Very high89 Ų8947.2 Ų47.248%0.47626%0.259SS..Hα-helixtrans-69-43.6176.9-67.9-14000111.9L163 K164 L165 Y169 S170 S171L163-N167 VanDerWaalsContact O-CG 3.26Å; L163-N167 PolarHBondContact O-N 3.24Å; L163-N167 PolarHBondContact O-OD1 3.13Å; K164-N167 PolarHBondContact O-N 2.93Å; L165-N167 PolarHBondContact O-N 3.46Å; N167-Y169 VanDerWaalsContact C-N 3.32Å; N167-Y169 PolarHBondContact O-N 3.43Å; N167-S170 PolarHBondContact O-N 2.88Å; N167-S171 PolarHBondContact O-N 3.36Å; N167-S171 PolarHBondContact O-OG 3.4Å
168V92.3Very high91.1Very high37 Ų3751.7 Ų51.722%0.22428%0.28CS..Hα-helixtrans-60.6-44.3174.3177.40000110.6V130 T147 V151 K164 L165 S170 S171 L172V130-V168 HydrophobicContact CG1-CG1 4.44Å; V130-V168 HydrophobicContact CG1-CG2 4.4Å; T147-V168 HydrophobicContact CG2-CG1 4.32Å; V151-V168 HydrophobicContact CG2-CB 4.26Å; V151-V168 HydrophobicContact CG2-CG1 3.69Å; K164-V168 WeakPolarHBondContact O-CG2 3.49Å; K164-V168 PolarHBondContact O-N 3.21Å; L165-V168 PolarHBondContact O-N 3.3Å; V168-S170 PolarHBondContact O-N 3.01Å; V168-S171 PolarHBondContact O-N 2.94Å; V168-S171 PolarHBondContact O-OG 3.07Å; V168-L172 HydrophobicContact CG1-CD1 3.88Å; V168-L172 VanDerWaalsContact O-CG 3.3Å; V168-L172 WeakPolarHBondContact O-CG 3.3Å; V168-L172 PolarHBondContact O-N 3.11Å
169Y91.5Very high91.1Very high1 Ų151.7 Ų51.70%0.00428%0.28CS..Hα-helixtrans-58.3-48.4173.6165.4-108.1000111.7L148 L165 N167 S171 L172 F173 I201 C202 Y205L148-Y169 HydrophobicContact CD2-CD2 3.72Å; L148-Y169 HydrophobicContact CD2-CE2 4.48Å; L165-Y169 PolarHBondContact O-N 3.21Å; N167-Y169 VanDerWaalsContact C-N 3.32Å; N167-Y169 PolarHBondContact O-N 3.43Å; Y169-S171 VanDerWaalsContact C-N 3.28Å; Y169-S171 PolarHBondContact O-N 3.24Å; Y169-L172 PolarHBondContact O-N 3.26Å; Y169-L172 VanDerWaalsContact O-N 3.16Å; Y169-F173 HydrophobicContact CD2-CB 3.98Å; Y169-F173 HydrophobicContact CE1-CD1 4.31Å; Y169-F173 HydrophobicContact CE2-CB 3.6Å; Y169-F173 AromaticContact CE2-CD1 3.62Å; Y169-F173 HydrophobicContact CE2-CD1 3.62Å; Y169-F173 HydrophobicContact CE2-CE1 4.46Å; Y169-F173 AromaticContact CE2-CG 3.68Å; Y169-F173 HydrophobicContact CE2-CG 3.68Å; Y169-F173 AromaticContact CZ-CD1 3.4Å; Y169-F173 AromaticContact CZ-CG 3.97Å; Y169-F173 WeakPolarHBondContact O-CB 3.44Å; Y169-F173 PolarHBondContact O-N 2.81Å; Y169-F173 WeakPolarHBondContact OH-CD1 3.5Å; Y169-F173 WeakPolarHBondContact OH-CE1 3.48Å; Y169-I201 HydrophobicContact CD2-CG2 3.54Å; Y169-I201 HydrophobicContact CE2-CB 4.46Å; Y169-I201 HydrophobicContact CE2-CG2 3.28Å; Y169-I201 HydrophobicContact CG-CG2 4.29Å; Y169-C202 PolarHBondContact OH-SG 3.25Å; Y169-Y205 AromaticContact CD1-CD2 3.53Å; Y169-Y205 HydrophobicContact CD1-CD2 3.53Å; Y169-Y205 HydrophobicContact CD1-CE2 4.08Å; Y169-Y205 AromaticContact CD1-CG 3.96Å; Y169-Y205 HydrophobicContact CD1-CG 3.96Å; Y169-Y205 HydrophobicContact CD2-CD2 4.47Å; Y169-Y205 AromaticContact CE1-CD2 3.8Å; Y169-Y205 HydrophobicContact CE1-CD2 3.8Å; Y169-Y205 HydrophobicContact CE1-CG 4.16Å; Y169-Y205 AromaticContact CG-CD2 3.88Å; Y169-Y205 HydrophobicContact CG-CD2 3.88Å; Y169-Y205 AromaticContact CG-CE2 4Å; Y169-Y205 HydrophobicContact CG-CE2 4Å
170S90.8Very high91.3Very high69 Ų6948 Ų4848%0.48325%0.254SS..Hα-helixtrans-66-28.7-177.3-57.60000113.2A166 N167 V168A166-S170 WeakPolarHBondContact O-CB 3.36Å; A166-S170 PolarHBondContact O-N 3.35Å; A166-S170 PolarHBondContact O-OG 3.19Å; N167-S170 PolarHBondContact O-N 2.88Å; V168-S170 PolarHBondContact O-N 3.01Å
171S91.3Very high91.6Very high94 Ų9450.1 Ų50.166%0.65726%0.262SS*.Hα-helixtrans-76.2-25.3176.262.90000113.2N167 V168 Y169N167-S171 PolarHBondContact O-N 3.36Å; N167-S171 PolarHBondContact O-OG 3.4Å; V168-S171 PolarHBondContact O-N 2.94Å; V168-S171 PolarHBondContact O-OG 3.07Å; Y169-S171 VanDerWaalsContact C-N 3.28Å; Y169-S171 PolarHBondContact O-N 3.24Å
172L88.3Confident91.5Very high43 Ų4350.6 Ų50.623%0.22527%0.272CS..Hα-helixtrans-97.5-25.9-177.1-63.4171.4000113.1T147 L148 V168 Y169T147-L172 HydrophobicContact CG2-CD1 3.33Å; L148-L172 HydrophobicContact CD2-CB 4.48Å; L148-L172 HydrophobicContact CD2-CD1 4.45Å; V168-L172 HydrophobicContact CG1-CD1 3.88Å; V168-L172 VanDerWaalsContact O-CG 3.3Å; V168-L172 WeakPolarHBondContact O-CG 3.3Å; V168-L172 PolarHBondContact O-N 3.11Å; Y169-L172 PolarHBondContact O-N 3.26Å; Y169-L172 VanDerWaalsContact O-N 3.16Å
173F90.1Very high91.4Very high1 Ų150.5 Ų50.50%0.00427%0.272CS..  trans-116.5101.5-172.4-177.5-103000111.6Y169 G175 P176 F179 L198 C202 R207 D210Y169-F173 HydrophobicContact CD2-CB 3.98Å; Y169-F173 HydrophobicContact CE1-CD1 4.31Å; Y169-F173 HydrophobicContact CE2-CB 3.6Å; Y169-F173 AromaticContact CE2-CD1 3.62Å; Y169-F173 HydrophobicContact CE2-CD1 3.62Å; Y169-F173 HydrophobicContact CE2-CE1 4.46Å; Y169-F173 AromaticContact CE2-CG 3.68Å; Y169-F173 HydrophobicContact CE2-CG 3.68Å; Y169-F173 AromaticContact CZ-CD1 3.4Å; Y169-F173 AromaticContact CZ-CG 3.97Å; Y169-F173 WeakPolarHBondContact O-CB 3.44Å; Y169-F173 PolarHBondContact O-N 2.81Å; Y169-F173 WeakPolarHBondContact OH-CD1 3.5Å; Y169-F173 WeakPolarHBondContact OH-CE1 3.48Å; F173-G175 VanDerWaalsContact CE2-C 3.41Å; F173-G175 VanDerWaalsContact CZ-C 3.47Å; F173-P176 HydrophobicContact CZ-CG 3.94Å; F173-F179 HydrophobicContact CD2-CB 4.26Å; F173-F179 HydrophobicContact CD2-CD2 4.05Å; F173-F179 HydrophobicContact CD2-CG 4.34Å; F173-F179 HydrophobicContact CE2-CB 4.22Å; F173-L198 HydrophobicContact CD2-CD2 3.83Å; F173-L198 HydrophobicContact CE2-CD1 3.84Å; F173-L198 HydrophobicContact CE2-CD2 3.68Å; F173-L198 HydrophobicContact CE2-CG 4.29Å; F173-L198 HydrophobicContact CZ-CD2 4.42Å; F173-C202 WeakPolarHBondContact CE1-SG 3.4Å; F173-R207 VanDerWaalsContact CD1-NH1 3.28Å; F173-R207 PolarHBondContact O-NH1 3.07Å; F173-D210 HydrophobicContact CE1-CB 4.05Å; F173-D210 HydrophobicContact CZ-CB 4.3Å
174V90.3Very high91.4Very high113 Ų11354.5 Ų54.569%0.68529%0.292SS*.SBendtrans-79.7-45.8172.1-179.60000110.7E178 R207V174-E178 HydrophobicContact CB-CB 4.49Å; V174-E178 HydrophobicContact CB-CG 4.49Å; V174-R207 PolarHBondContact O-NH2 3.31Å
175G93.4Very high91.4Very high10 Ų1056.3 Ų56.310%0.10330%0.302CS..  trans-179.6168.9177.200000111.6F173 E177 E178 F179F173-G175 VanDerWaalsContact CE2-C 3.41Å; F173-G175 VanDerWaalsContact CZ-C 3.47Å; G175-E177 PolarHBondContact O-N 2.76Å; G175-E178 PolarHBondContact O-N 3.14Å; G175-F179 WeakPolarHBondContact O-CB 3.5Å; G175-F179 PolarHBondContact O-N 3.25Å; G175-F179 VanDerWaalsContact O-N 3.07Å
176P93.7Very high91.4Very high4 Ų456.7 Ų56.73%0.02630%0.303CS..Hα-helixtrans-61-42.6-174.1-21.631.8000113.2F173 F179 L180 L195 D210 I213 A214F173-P176 HydrophobicContact CZ-CG 3.94Å; P176-F179 PolarHBondContact O-N 3.06Å; P176-L180 WeakPolarHBondContact O-CG 3.43Å; P176-L180 PolarHBondContact O-N 3.43Å; P176-L195 HydrophobicContact CB-CD2 4.14Å; P176-D210 HydrophobicContact CG-CB 4.26Å; P176-D210 WeakPolarHBondContact CG-O 3.43Å; P176-I213 HydrophobicContact CB-CG2 4.3Å; P176-I213 HydrophobicContact CG-CB 4.23Å; P176-I213 HydrophobicContact CG-CG2 4.08Å; P176-A214 HydrophobicContact CB-CB 4.07Å; P176-A214 HydrophobicContact CG-CB 3.9Å
177E93.1Very high91.4Very high121 Ų12158.2 Ų58.257%0.56531%0.312SS*.Hα-helixtrans-63.4-47.2-178.7-65.4-179.4-174.100112.3G175 F179 L180 R181G175-E177 PolarHBondContact O-N 2.76Å; E177-F179 VanDerWaalsContact C-N 3.3Å; E177-F179 PolarHBondContact O-N 2.66Å; E177-L180 PolarHBondContact O-N 3.07Å; E177-R181 WeakPolarHBondContact O-CG 3.1Å; E177-R181 PolarHBondContact O-N 2.68Å; E177-R181 VanDerWaalsContact O-N 3.1Å
178E91.5Very high91.3Very high98 Ų9857.8 Ų57.846%0.45830%0.304SS..Hα-helixtrans-64-39.3178-171.562.5-161.600111V174 G175 L180 R181V174-E178 HydrophobicContact CB-CB 4.49Å; V174-E178 HydrophobicContact CB-CG 4.49Å; G175-E178 PolarHBondContact O-N 3.14Å; E178-L180 VanDerWaalsContact C-N 3.33Å; E178-L180 PolarHBondContact O-N 2.99Å; E178-R181 WeakPolarHBondContact O-CB 3.44Å; E178-R181 PolarHBondContact O-N 3.36Å; E178-R181 WeakPolarHBondContact OE2-CD 3.47Å; E178-R181 IonicContact OE2-CZ 2.63Å; E178-R181 IonicContact OE2-NE 2.72Å; E178-R181 IonicContact OE2-NH1 3.06Å; E178-R181 PolarHBondContact OE2-NH1 3.18Å
179F92.5Very high91.3Very high10 Ų1057.6 Ų57.64%0.04430%0.3CS..Hα-helixtrans-64.9-36.1175.8-160.7-87.6000112.2N144 L145 L148 F173 G175 P176 E177 R181 S182 L183 V194 L198N144-F179 HydrophobicContact CB-CE2 3.99Å; N144-F179 HydrophobicContact CB-CZ 4.3Å; L145-F179 HydrophobicContact CB-CE1 4.37Å; L145-F179 HydrophobicContact CB-CZ 4.06Å; L145-F179 HydrophobicContact CD1-CE1 4.43Å; L145-F179 HydrophobicContact CD1-CZ 4.48Å; L148-F179 HydrophobicContact CD1-CD2 4.46Å; L148-F179 HydrophobicContact CD1-CE2 3.62Å; L148-F179 HydrophobicContact CD1-CZ 3.75Å; F173-F179 HydrophobicContact CD2-CB 4.26Å; F173-F179 HydrophobicContact CD2-CD2 4.05Å; F173-F179 HydrophobicContact CD2-CG 4.34Å; F173-F179 HydrophobicContact CE2-CB 4.22Å; G175-F179 WeakPolarHBondContact O-CB 3.5Å; G175-F179 PolarHBondContact O-N 3.25Å; G175-F179 VanDerWaalsContact O-N 3.07Å; P176-F179 PolarHBondContact O-N 3.06Å; E177-F179 VanDerWaalsContact C-N 3.3Å; E177-F179 PolarHBondContact O-N 2.66Å; F179-R181 VanDerWaalsContact C-N 3.34Å; F179-S182 PolarHBondContact O-OG 3.26Å; F179-L183 HydrophobicContact CD1-CD1 4.31Å; F179-L183 HydrophobicContact CE1-CD1 4.1Å; F179-V194 HydrophobicContact CD1-CG1 3.74Å; F179-V194 HydrophobicContact CE1-CG1 3.53Å; F179-L198 HydrophobicContact CB-CD1 4.4Å; F179-L198 HydrophobicContact CD1-CD1 3.93Å; F179-L198 HydrophobicContact CG-CD1 4.23Å
180L92.8Very high91.3Very high30 Ų3057.7 Ų57.716%0.15730%0.301CS..Hα-helixtrans-70.3-28.4175.2-75.8-179.5000113.3P176 E177 E178 S182 L183 I184 K191 L195 T217P176-L180 WeakPolarHBondContact O-CG 3.43Å; P176-L180 PolarHBondContact O-N 3.43Å; E177-L180 PolarHBondContact O-N 3.07Å; E178-L180 VanDerWaalsContact C-N 3.33Å; E178-L180 PolarHBondContact O-N 2.99Å; L180-S182 VanDerWaalsContact C-N 3.26Å; L180-S182 PolarHBondContact O-N 3.21Å; L180-L183 CarbonylContact O-C 3.58Å; L180-L183 WeakPolarHBondContact O-CA 3.48Å; L180-L183 PolarHBondContact O-N 3.47Å; L180-I184 PolarHBondContact O-N 3.36Å; L180-K191 HydrophobicContact CD2-CB 3.98Å; L180-K191 HydrophobicContact CD2-CG 4.15Å; L180-L195 HydrophobicContact CD1-CD1 4.03Å; L180-L195 HydrophobicContact CD1-CD2 3.9Å; L180-L195 HydrophobicContact CD1-CG 4.25Å; L180-L195 HydrophobicContact CD2-CD1 4.32Å; L180-L195 HydrophobicContact CD2-CD2 4.25Å; L180-L195 HydrophobicContact CD2-CG 4.07Å; L180-L195 HydrophobicContact CG-CD2 4.09Å; L180-L195 HydrophobicContact CG-CG 4.42Å; L180-T217 HydrophobicContact CD1-CG2 4.13Å
181R91.7Very high91.5Very high152 Ų15256.3 Ų56.357%0.57429%0.286SS*.Hα-helixtrans-60.9-36.9176.9-71.7173.9-171.8169.5-1.1111.7E177 E178 F179 L183 I184E177-R181 WeakPolarHBondContact O-CG 3.1Å; E177-R181 PolarHBondContact O-N 2.68Å; E177-R181 VanDerWaalsContact O-N 3.1Å; E178-R181 WeakPolarHBondContact O-CB 3.44Å; E178-R181 PolarHBondContact O-N 3.36Å; E178-R181 WeakPolarHBondContact OE2-CD 3.47Å; E178-R181 IonicContact OE2-CZ 2.63Å; E178-R181 IonicContact OE2-NE 2.72Å; E178-R181 IonicContact OE2-NH1 3.06Å; E178-R181 PolarHBondContact OE2-NH1 3.18Å; F179-R181 VanDerWaalsContact C-N 3.34Å; R181-L183 PolarHBondContact O-N 3.5Å; R181-I184 WeakPolarHBondContact O-CB 3.42Å; R181-I184 PolarHBondContact O-N 3.2Å
182S87.3Confident91.7Very high54 Ų5451.9 Ų51.938%0.37826%0.255SS..THydrogen-bonded Turntrans-69.5-13.6174.9730000113.4F179 L180F179-S182 PolarHBondContact O-OG 3.26Å; L180-S182 VanDerWaalsContact C-N 3.26Å; L180-S182 PolarHBondContact O-N 3.21Å
183L90.9Very high91.9Very high1 Ų150.4 Ų50.41%0.00525%0.248CC..THydrogen-bonded Turntrans-111.816.6179.6-57.9178.9000112.4T142 F179 L180 R181 E185 F186 K191 V194T142-L183 HydrophobicContact CG2-CD2 4.31Å; F179-L183 HydrophobicContact CD1-CD1 4.31Å; F179-L183 HydrophobicContact CE1-CD1 4.1Å; L180-L183 CarbonylContact O-C 3.58Å; L180-L183 WeakPolarHBondContact O-CA 3.48Å; L180-L183 PolarHBondContact O-N 3.47Å; R181-L183 PolarHBondContact O-N 3.5Å; L183-E185 PolarHBondContact O-N 2.94Å; L183-E185 VanDerWaalsContact O-N 3.1Å; L183-F186 HydrophobicContact CB-CD2 4.2Å; L183-F186 HydrophobicContact CD2-CD2 3.96Å; L183-F186 HydrophobicContact CD2-CE2 4.03Å; L183-F186 PolarHBondContact O-N 3.16Å; L183-K191 WeakPolarHBondContact O-CE 3.43Å; L183-V194 HydrophobicContact CD1-CB 4.29Å; L183-V194 HydrophobicContact CD1-CG1 3.97Å; L183-V194 HydrophobicContact CD1-CG2 3.92Å
184I90.4Very high92.2Very high124 Ų12450.5 Ų50.564%0.63625%0.248SC*.THydrogen-bonded Turntrans-57-32.4-171.8-166.4165.4000113.4L180 R181 K191L180-I184 PolarHBondContact O-N 3.36Å; R181-I184 WeakPolarHBondContact O-CB 3.42Å; R181-I184 PolarHBondContact O-N 3.2Å; I184-K191 PolarHBondContact O-NZ 3.12Å
185E90.1Very high92.5Very high124 Ų12445.1 Ų45.158%0.57922%0.215SC*.THydrogen-bonded Turntrans-88.2-6-177-52.3-172.8126.100114.5R13 L183R13-E185 WeakPolarHBondContact CD-O 3.4Å; R13-E185 VanDerWaalsContact CZ-CB 3.45Å; R13-E185 IonicContact CZ-OE1 2.88Å; R13-E185 IonicContact CZ-OE2 3.38Å; R13-E185 IonicContact NE-OE2 2.67Å; R13-E185 PolarHBondContact NE-OE2 2.83Å; R13-E185 IonicContact NH2-OE1 3.32Å; R13-E185 PolarHBondContact NH2-OE1 3.28Å; R13-E185 IonicContact NH2-OE2 2.85Å; R13-E185 PolarHBondContact NH2-OE2 2.86Å; L183-E185 PolarHBondContact O-N 2.94Å; L183-E185 VanDerWaalsContact O-N 3.1Å
186F92.5Very high92.6Very high9 Ų944.6 Ų44.64%0.03921%0.21CC..SBendtrans-82.3160.2177.3-72.3-97.4000111.6R13 E16 E17 A141 T142 L183 V190 K191R13-F186 HydrophobicContact CG-CD1 4.22Å; R13-F186 HydrophobicContact CG-CD2 4.49Å; R13-F186 HydrophobicContact CG-CE1 3.83Å; R13-F186 HydrophobicContact CG-CE2 4.13Å; R13-F186 HydrophobicContact CG-CZ 3.78Å; E16-F186 HydrophobicContact CB-CE1 4.06Å; E16-F186 HydrophobicContact CB-CZ 4.18Å; E17-F186 HydrophobicContact CB-CD1 4.09Å; E17-F186 HydrophobicContact CB-CE1 4.16Å; A141-F186 HydrophobicContact CB-CE2 3.7Å; A141-F186 HydrophobicContact CB-CZ 4.03Å; T142-F186 HydrophobicContact CG2-CE1 3.68Å; T142-F186 HydrophobicContact CG2-CE2 4.15Å; T142-F186 HydrophobicContact CG2-CZ 3.42Å; T142-F186 VanDerWaalsContact CG2-CZ 3.42Å; L183-F186 HydrophobicContact CB-CD2 4.2Å; L183-F186 HydrophobicContact CD2-CD2 3.96Å; L183-F186 HydrophobicContact CD2-CE2 4.03Å; L183-F186 PolarHBondContact O-N 3.16Å; F186-V190 HydrophobicContact CB-CB 4.17Å; F186-V190 HydrophobicContact CB-CG1 4.08Å; F186-V190 HydrophobicContact CD1-CG1 4.25Å; F186-V190 HydrophobicContact CG-CG1 4.35Å; F186-K191 WeakPolarHBondContact O-CE 3.3Å; F186-K191 PolarHBondContact O-NZ 3.38Å
187T91.9Very high92.7Very high39 Ų3944.6 Ų44.624%0.23921%0.21CC..  trans-61.4162.2178.464.70000112.8E17 K189 V190 K191E17-T187 WeakPolarHBondContact OE1-CB 3.07Å; E17-T187 WeakPolarHBondContact OE1-CG2 3.41Å; E17-T187 PolarHBondContact OE1-OG1 2.89Å; T187-K189 VanDerWaalsContact C-N 3.26Å; T187-K189 PolarHBondContact O-N 3.44Å; T187-V190 PolarHBondContact O-N 3.36Å; T187-K191 PolarHBondContact O-N 3.1Å
188R91.5Very high92.8Very high80 Ų8038.9 Ų38.930%0.30218%0.183SC..Hα-helixtrans-58.2-40175.6-172.9177.6-178.8169.6-2111.7K191 V192 M221 F258R188-K191 PolarHBondContact O-N 2.84Å; R188-V192 WeakPolarHBondContact O-CG2 3.48Å; R188-V192 PolarHBondContact O-N 3.49Å; R188-M221 HydrophobicContact CG-CE 3.91Å; R188-M221 PolarHBondContact NE-O 3.38Å; R188-M221 VanDerWaalsContact NH2-C 3.32Å; R188-M221 PolarHBondContact NH2-O 2.85Å; R188-F258 VanDerWaalsContact NH1-CE1 3.29Å
189K91Very high93.1Very high33 Ų3334.2 Ų34.214%0.14316%0.161CC..Hα-helixtrans-58.4-49.7179.3-173.6172.7-176.3170.20111.5L21 T187 K191 V192 L193 D260 I261 E264 Y390L21-K189 HydrophobicContact CD2-CD 4.08Å; L21-K189 HydrophobicContact CD2-CG 3.99Å; T187-K189 VanDerWaalsContact C-N 3.26Å; T187-K189 PolarHBondContact O-N 3.44Å; K189-K191 PolarHBondContact O-N 3.49Å; K189-V192 PolarHBondContact O-N 3.08Å; K189-L193 HydrophobicContact CG-CD1 4.29Å; K189-L193 WeakPolarHBondContact O-CG 3.19Å; K189-L193 PolarHBondContact O-N 2.9Å; K189-D260 WeakPolarHBondContact CD-O 3.41Å; K189-I261 HydrophobicContact CB-CD1 4.46Å; K189-I261 HydrophobicContact CB-CG1 3.96Å; K189-I261 HydrophobicContact CG-CG1 4.2Å; K189-E264 IonicContact NZ-OE1 3.75Å; K189-Y390 WeakPolarHBondContact CE-OH 3.47Å; K189-Y390 PolarHBondContact NZ-OH 2.85Å
190V92.6Very high93.1Very high3 Ų335 Ų352%0.01817%0.165CC..Hα-helixtrans-57.1-50.4178171.60000111.1E17 L20 L21 F186 T187 V192 L193 V194E17-V190 HydrophobicContact CG-CG2 3.85Å; L20-V190 HydrophobicContact CD1-CG1 3.67Å; L21-V190 HydrophobicContact CD1-CG2 4.28Å; L21-V190 HydrophobicContact CD2-CG2 3.93Å; L21-V190 HydrophobicContact CG-CG2 4.06Å; F186-V190 HydrophobicContact CB-CB 4.17Å; F186-V190 HydrophobicContact CB-CG1 4.08Å; F186-V190 HydrophobicContact CD1-CG1 4.25Å; F186-V190 HydrophobicContact CG-CG1 4.35Å; T187-V190 PolarHBondContact O-N 3.36Å; V190-V192 VanDerWaalsContact C-N 3.34Å; V190-V192 PolarHBondContact O-N 3.08Å; V190-L193 PolarHBondContact O-N 3.08Å; V190-V194 HydrophobicContact CG1-CG2 4.39Å; V190-V194 VanDerWaalsContact O-CG2 3.29Å; V190-V194 WeakPolarHBondContact O-CG2 3.33Å; V190-V194 PolarHBondContact O-N 2.74Å
191K94.8Very high93.1Very high40 Ų4034 Ų3417%0.17416%0.16CC..Hα-helixtrans-58.5-44.1-179.3-68.6167.5-179.81560112.3L180 L183 I184 F186 T187 R188 K189 V194 L195 M221L180-K191 HydrophobicContact CD2-CB 3.98Å; L180-K191 HydrophobicContact CD2-CG 4.15Å; L183-K191 WeakPolarHBondContact O-CE 3.43Å; I184-K191 PolarHBondContact O-NZ 3.12Å; F186-K191 WeakPolarHBondContact O-CE 3.3Å; F186-K191 PolarHBondContact O-NZ 3.38Å; T187-K191 PolarHBondContact O-N 3.1Å; R188-K191 PolarHBondContact O-N 2.84Å; K189-K191 PolarHBondContact O-N 3.49Å; K191-V194 PolarHBondContact O-N 3.18Å; K191-L195 WeakPolarHBondContact O-CG 3.47Å; K191-L195 PolarHBondContact O-N 2.87Å; K191-M221 HydrophobicContact CB-CE 3.67Å; K191-M221 HydrophobicContact CB-SD 4.37Å; K191-M221 HydrophobicContact CD-CE 4.01Å
192V94.3Very high93.2Very high0 Ų026.7 Ų26.70%013%0.132CC..Hα-helixtrans-60.9-48.4177.2166.80000111.2R188 K189 V190 V194 L195 I196 M221 L222 A302R188-V192 WeakPolarHBondContact O-CG2 3.48Å; R188-V192 PolarHBondContact O-N 3.49Å; K189-V192 PolarHBondContact O-N 3.08Å; V190-V192 VanDerWaalsContact C-N 3.34Å; V190-V192 PolarHBondContact O-N 3.08Å; V192-V194 VanDerWaalsContact C-N 3.31Å; V192-V194 PolarHBondContact O-N 3.35Å; V192-L195 PolarHBondContact O-N 3.42Å; V192-I196 HydrophobicContact CG1-CD1 3.8Å; V192-I196 HydrophobicContact CG1-CG1 4.48Å; V192-I196 VanDerWaalsContact O-CG1 3.31Å; V192-I196 WeakPolarHBondContact O-CG1 3.32Å; V192-I196 PolarHBondContact O-N 3.11Å; V192-M221 HydrophobicContact CG2-CB 3.73Å; V192-M221 HydrophobicContact CG2-CE 4.24Å; V192-L222 HydrophobicContact CG1-CD1 3.68Å; V192-L222 HydrophobicContact CG1-CD2 3.98Å; V192-L222 HydrophobicContact CG1-CG 3.79Å; V192-L222 HydrophobicContact CG2-CD2 4.32Å; V192-L222 HydrophobicContact CG2-CG 4.14Å; V192-A302 HydrophobicContact CG1-CB 4.41Å
193L94.2Very high93.5Very high13 Ų1324.2 Ų24.27%0.06812%0.115CC..Hα-helixtrans-63-39.5-179.3-64.9-179.4000112.3L21 K189 V190 I196 E197 A302 Y390 A393L21-L193 HydrophobicContact CD2-CD1 3.77Å; K189-L193 HydrophobicContact CG-CD1 4.29Å; K189-L193 WeakPolarHBondContact O-CG 3.19Å; K189-L193 PolarHBondContact O-N 2.9Å; V190-L193 PolarHBondContact O-N 3.08Å; L193-I196 HydrophobicContact CD2-CD1 4.42Å; L193-I196 PolarHBondContact O-N 2.66Å; L193-E197 WeakPolarHBondContact O-CG 3.44Å; L193-E197 PolarHBondContact O-N 2.98Å; L193-A302 HydrophobicContact CD2-CB 4.46Å; L193-Y390 HydrophobicContact CD1-CD1 4.33Å; L193-Y390 HydrophobicContact CD1-CE1 4.23Å; L193-Y390 HydrophobicContact CD2-CD1 3.5Å; L193-Y390 VanDerWaalsContact CD2-CD1 3.5Å; L193-Y390 HydrophobicContact CD2-CE1 3.66Å; L193-A393 HydrophobicContact CD2-CB 3.78Å
194V94.8Very high93.5Very high2 Ų226.4 Ų26.41%0.01212%0.124CC..Hα-helixtrans-61.1-46.6174.5169.80000111.4L145 F179 L183 V190 K191 V192 I196 E197 L198L145-V194 HydrophobicContact CD1-CG1 4.24Å; L145-V194 HydrophobicContact CD1-CG2 3.91Å; L145-V194 HydrophobicContact CD2-CG2 3.31Å; L145-V194 HydrophobicContact CG-CG2 4.25Å; F179-V194 HydrophobicContact CD1-CG1 3.74Å; F179-V194 HydrophobicContact CE1-CG1 3.53Å; L183-V194 HydrophobicContact CD1-CB 4.29Å; L183-V194 HydrophobicContact CD1-CG1 3.97Å; L183-V194 HydrophobicContact CD1-CG2 3.92Å; V190-V194 HydrophobicContact CG1-CG2 4.39Å; V190-V194 VanDerWaalsContact O-CG2 3.29Å; V190-V194 WeakPolarHBondContact O-CG2 3.33Å; V190-V194 PolarHBondContact O-N 2.74Å; K191-V194 PolarHBondContact O-N 3.18Å; V192-V194 VanDerWaalsContact C-N 3.31Å; V192-V194 PolarHBondContact O-N 3.35Å; V194-I196 VanDerWaalsContact C-N 3.32Å; V194-I196 PolarHBondContact O-N 3.48Å; V194-E197 PolarHBondContact O-N 2.91Å; V194-L198 HydrophobicContact CG1-CD1 3.94Å; V194-L198 HydrophobicContact CG1-CG 4.3Å; V194-L198 WeakPolarHBondContact O-CB 3.4Å; V194-L198 VanDerWaalsContact O-CG 3.27Å; V194-L198 WeakPolarHBondContact O-CG 3.17Å; V194-L198 PolarHBondContact O-N 2.9Å
195L96.7Very high93.5Very high0 Ų021.5 Ų21.50%010%0.097CC..Hα-helixtrans-60.6-43.1177.8-71.6164.1000111.7P176 L180 K191 V192 E197 L198 V199 A214 T217 C218 M221P176-L195 HydrophobicContact CB-CD2 4.14Å; L180-L195 HydrophobicContact CD1-CD1 4.03Å; L180-L195 HydrophobicContact CD1-CD2 3.9Å; L180-L195 HydrophobicContact CD1-CG 4.25Å; L180-L195 HydrophobicContact CD2-CD1 4.32Å; L180-L195 HydrophobicContact CD2-CD2 4.25Å; L180-L195 HydrophobicContact CD2-CG 4.07Å; L180-L195 HydrophobicContact CG-CD2 4.09Å; L180-L195 HydrophobicContact CG-CG 4.42Å; K191-L195 WeakPolarHBondContact O-CG 3.47Å; K191-L195 PolarHBondContact O-N 2.87Å; V192-L195 PolarHBondContact O-N 3.42Å; L195-E197 PolarHBondContact O-N 3.32Å; L195-L198 WeakPolarHBondContact O-CB 3.42Å; L195-L198 PolarHBondContact O-N 3.25Å; L195-L198 VanDerWaalsContact O-N 3.14Å; L195-V199 WeakPolarHBondContact O-CG2 3.48Å; L195-V199 PolarHBondContact O-N 3.44Å; L195-A214 HydrophobicContact CD2-CB 4.08Å; L195-T217 HydrophobicContact CD1-CG2 3.77Å; L195-C218 HydrophobicContact CB-CB 3.66Å; L195-C218 HydrophobicContact CD1-CB 3.96Å; L195-C218 HydrophobicContact CG-CB 4.48Å; L195-M221 HydrophobicContact CD1-SD 3.78Å
196I96.3Very high93.5Very high0 Ų017.1 Ų17.10%08%0.075CC..Hα-helixtrans-58.8-46.9176.3-67.8167.9000110.7V192 L193 V194 L198 V199 C218 A302 C305 A306 A309 A393V192-I196 HydrophobicContact CG1-CD1 3.8Å; V192-I196 HydrophobicContact CG1-CG1 4.48Å; V192-I196 VanDerWaalsContact O-CG1 3.31Å; V192-I196 WeakPolarHBondContact O-CG1 3.32Å; V192-I196 PolarHBondContact O-N 3.11Å; L193-I196 HydrophobicContact CD2-CD1 4.42Å; L193-I196 PolarHBondContact O-N 2.66Å; V194-I196 VanDerWaalsContact C-N 3.32Å; V194-I196 PolarHBondContact O-N 3.48Å; I196-L198 VanDerWaalsContact C-N 3.32Å; I196-L198 PolarHBondContact O-N 3.08Å; I196-V199 PolarHBondContact O-N 3.22Å; I196-C218 HydrophobicContact CG1-CB 4.33Å; I196-A302 WeakPolarHBondContact CD1-O 3.38Å; I196-C305 HydrophobicContact CD1-CB 4Å; I196-C305 HydrophobicContact CG2-CB 4.06Å; I196-A306 HydrophobicContact CD1-CB 3.99Å; I196-A306 HydrophobicContact CG1-CB 4.2Å; I196-A309 HydrophobicContact CG2-CB 4.02Å; I196-A393 HydrophobicContact CG2-CB 4.03Å; I196-A393 WeakPolarHBondContact CG2-O 3.25Å
197E95.9Very high93.4Very high3 Ų319.5 Ų19.51%0.0148%0.084CC..Hα-helixtrans-60.5-41.2175.2-71177.7-131.300111.8R149 L193 V194 L195 V199 E200 I201 F392 A393R149-E197 WeakPolarHBondContact CG-OE2 3.44Å; R149-E197 IonicContact CZ-OE1 3.79Å; R149-E197 IonicContact CZ-OE2 2.62Å; R149-E197 IonicContact NE-OE1 2.88Å; R149-E197 PolarHBondContact NE-OE1 3Å; R149-E197 IonicContact NE-OE2 3.23Å; R149-E197 PolarHBondContact NE-OE2 3.43Å; R149-E197 IonicContact NH2-OE1 3.82Å; R149-E197 PolarHBondContact NH2-OE1 2.93Å; R149-E197 IonicContact NH2-OE2 3.1Å; L193-E197 WeakPolarHBondContact O-CG 3.44Å; L193-E197 PolarHBondContact O-N 2.98Å; V194-E197 PolarHBondContact O-N 2.91Å; L195-E197 PolarHBondContact O-N 3.32Å; E197-V199 PolarHBondContact O-N 2.94Å; E197-E200 PolarHBondContact O-N 3.22Å; E197-I201 WeakPolarHBondContact O-CG1 3.2Å; E197-I201 PolarHBondContact O-N 3.05Å; E197-F392 VanDerWaalsContact CD-CB 3.47Å; E197-F392 HydrophobicContact CG-CB 4.08Å; E197-F392 WeakPolarHBondContact OE1-CB 3.41Å; E197-A393 HydrophobicContact CG-CB 4.48Å
198L95.8Very high93.4Very high1 Ų119 Ų191%0.0058%0.079CC..Hα-helixtrans-65.2-35.2178.6-72.2174000112.8L148 F173 F179 V194 L195 I196 E200 I201 C202 A214L148-L198 HydrophobicContact CD1-CD2 3.77Å; F173-L198 HydrophobicContact CD2-CD2 3.83Å; F173-L198 HydrophobicContact CE2-CD1 3.84Å; F173-L198 HydrophobicContact CE2-CD2 3.68Å; F173-L198 HydrophobicContact CE2-CG 4.29Å; F173-L198 HydrophobicContact CZ-CD2 4.42Å; F179-L198 HydrophobicContact CB-CD1 4.4Å; F179-L198 HydrophobicContact CD1-CD1 3.93Å; F179-L198 HydrophobicContact CG-CD1 4.23Å; V194-L198 HydrophobicContact CG1-CD1 3.94Å; V194-L198 HydrophobicContact CG1-CG 4.3Å; V194-L198 WeakPolarHBondContact O-CB 3.4Å; V194-L198 VanDerWaalsContact O-CG 3.27Å; V194-L198 WeakPolarHBondContact O-CG 3.17Å; V194-L198 PolarHBondContact O-N 2.9Å; L195-L198 WeakPolarHBondContact O-CB 3.42Å; L195-L198 PolarHBondContact O-N 3.25Å; L195-L198 VanDerWaalsContact O-N 3.14Å; I196-L198 VanDerWaalsContact C-N 3.32Å; I196-L198 PolarHBondContact O-N 3.08Å; L198-E200 VanDerWaalsContact C-N 3.3Å; L198-E200 PolarHBondContact O-N 2.88Å; L198-I201 PolarHBondContact O-N 3.37Å; L198-C202 WeakPolarHBondContact O-CB 3.37Å; L198-C202 PolarHBondContact O-N 2.78Å; L198-C202 PolarHBondContact O-SG 3.23Å; L198-A214 HydrophobicContact CB-CB 4.46Å
199V96.9Very high93.4Very high0 Ų019.8 Ų19.80%09%0.086CC..Hα-helixtrans-55.1-48.9176.2173.70000110.2L195 I196 E197 C203 A211 A214 L215 A309 F313L195-V199 WeakPolarHBondContact O-CG2 3.48Å; L195-V199 PolarHBondContact O-N 3.44Å; I196-V199 PolarHBondContact O-N 3.22Å; E197-V199 PolarHBondContact O-N 2.94Å; V199-C203 WeakPolarHBondContact O-CB 3.16Å; V199-C203 PolarHBondContact O-N 3.44Å; V199-C203 PolarHBondContact O-SG 3.09Å; V199-A211 HydrophobicContact CG1-CB 4.39Å; V199-A214 HydrophobicContact CG2-CB 3.78Å; V199-L215 HydrophobicContact CG1-CB 4.45Å; V199-L215 HydrophobicContact CG2-CB 3.74Å; V199-L215 HydrophobicContact CG2-CD1 4.38Å; V199-A309 HydrophobicContact CB-CB 4.05Å; V199-A309 HydrophobicContact CG1-CB 3.98Å; V199-A309 HydrophobicContact CG2-CB 4.42Å; V199-F313 HydrophobicContact CG1-CB 4.14Å
200E92.8Very high93.6Very high26 Ų2619.5 Ų19.512%0.1219%0.086CC..Hα-helixtrans-69-43-177.7-172.4-107-156.100112.2R152 E197 L198 C202 C203 Y204 T312 C395R152-E200 IonicContact CZ-OE1 3.65Å; R152-E200 IonicContact CZ-OE2 3.45Å; R152-E200 IonicContact NE-OE1 3.48Å; R152-E200 IonicContact NE-OE2 2.64Å; R152-E200 PolarHBondContact NE-OE2 3.03Å; R152-E200 IonicContact NH1-OE2 3.51Å; R152-E200 IonicContact NH2-OE1 3.35Å; R152-E200 PolarHBondContact NH2-OE1 3.43Å; R152-E200 IonicContact NH2-OE2 2.99Å; R152-E200 PolarHBondContact NH2-OE2 3.09Å; E197-E200 PolarHBondContact O-N 3.22Å; L198-E200 VanDerWaalsContact C-N 3.3Å; L198-E200 PolarHBondContact O-N 2.88Å; E200-C202 PolarHBondContact O-N 2.89Å; E200-C203 PolarHBondContact O-N 3.01Å; E200-Y204 WeakPolarHBondContact O-CB 3.29Å; E200-Y204 PolarHBondContact O-N 3.4Å; E200-T312 HydrophobicContact CB-CG2 4.36Å; E200-T312 HydrophobicContact CG-CG2 3.94Å; E200-C395 VanDerWaalsContact CB-SG 3.54Å; E200-C395 HydrophobicContact CG-CB 4.21Å
201I93.2Very high93.8Very high9 Ų919.4 Ų19.45%0.0469%0.085CC..Hα-helixtrans-61.3-46.4176.7-63.4168.4000110.5L148 Y169 E197 L198 C203 Y204 Y205L148-I201 HydrophobicContact CB-CD1 4.34Å; Y169-I201 HydrophobicContact CD2-CG2 3.54Å; Y169-I201 HydrophobicContact CE2-CB 4.46Å; Y169-I201 HydrophobicContact CE2-CG2 3.28Å; Y169-I201 HydrophobicContact CG-CG2 4.29Å; E197-I201 WeakPolarHBondContact O-CG1 3.2Å; E197-I201 PolarHBondContact O-N 3.05Å; L198-I201 PolarHBondContact O-N 3.37Å; I201-C203 PolarHBondContact O-N 2.81Å; I201-Y204 WeakPolarHBondContact O-CB 3.22Å; I201-Y204 PolarHBondContact O-N 3.12Å; I201-Y205 HydrophobicContact CG2-CD2 3.92Å; I201-Y205 HydrophobicContact CG2-CE2 4.05Å; I201-Y205 WeakPolarHBondContact O-CD2 3.49Å; I201-Y205 PolarHBondContact O-N 3.32Å; I201-Y205 VanDerWaalsContact O-N 3.1Å
202C94.3Very high93.8Very high0 Ų022.9 Ų22.90%010%0.097CC..Hα-helixtrans-61.1-45.7177.4-69.60000111.1Y169 F173 L198 E200 Y204 Y205 Y206 R207 D210 A211Y169-C202 PolarHBondContact OH-SG 3.25Å; F173-C202 WeakPolarHBondContact CE1-SG 3.4Å; L198-C202 WeakPolarHBondContact O-CB 3.37Å; L198-C202 PolarHBondContact O-N 2.78Å; L198-C202 PolarHBondContact O-SG 3.23Å; E200-C202 PolarHBondContact O-N 2.89Å; C202-Y204 VanDerWaalsContact C-N 3.3Å; C202-Y204 PolarHBondContact O-N 2.83Å; C202-Y205 CarbonylContact O-C 3.35Å; C202-Y205 PolarHBondContact O-N 3.08Å; C202-Y206 PolarHBondContact O-N 3.08Å; C202-Y206 VanDerWaalsContact O-N 3.13Å; C202-R207 HydrophobicContact CB-CB 4.14Å; C202-R207 WeakPolarHBondContact CB-O 3.46Å; C202-R207 PolarHBondContact O-N 3.27Å; C202-D210 HydrophobicContact CB-CB 4.39Å; C202-A211 HydrophobicContact CB-CB 3.67Å
203C92.8Very high93.9Very high2 Ų225.2 Ų25.21%0.01411%0.109CC..Hα-helixtrans-60.4-39.7174.8-71.50000112.2V199 E200 I201 Y205 Y206 A211 T312 R316V199-C203 WeakPolarHBondContact O-CB 3.16Å; V199-C203 PolarHBondContact O-N 3.44Å; V199-C203 PolarHBondContact O-SG 3.09Å; E200-C203 PolarHBondContact O-N 3.01Å; I201-C203 PolarHBondContact O-N 2.81Å; C203-Y205 VanDerWaalsContact C-N 3.33Å; C203-Y205 PolarHBondContact O-N 3.11Å; C203-Y206 PolarHBondContact O-N 2.88Å; C203-A211 VanDerWaalsContact SG-CB 3.54Å; C203-T312 HydrophobicContact CB-CG2 4.42Å; C203-R316 HydrophobicContact CB-CB 4.1Å; C203-R316 HydrophobicContact CB-CG 4.19Å
204Y90.9Very high94Very high47 Ų4724.6 Ų24.618%0.18411%0.106CC..Hα-helixtrans-64.1-38.9-179.2-171.3-98.7000112Q155 R161 E200 I201 C202Q155-Y204 HydrophobicContact CG-CD1 4.41Å; Q155-Y204 HydrophobicContact CG-CE1 3.43Å; Q155-Y204 VanDerWaalsContact CG-CE1 3.43Å; Q155-Y204 WeakPolarHBondContact CG-OH 3.45Å; Q155-Y204 PolarHBondContact NE2-OH 3.17Å; R161-Y204 HydrophobicContact CB-CE1 4.34Å; R161-Y204 WeakPolarHBondContact CD-O 3.25Å; R161-Y204 HydrophobicContact CG-CD1 3.92Å; R161-Y204 HydrophobicContact CG-CE1 3.22Å; R161-Y204 HydrophobicContact CG-CE2 4.48Å; R161-Y204 PolarHBondContact NH1-O 2.86Å; R161-Y204 VanDerWaalsContact NH1-O 3.11Å; E200-Y204 WeakPolarHBondContact O-CB 3.29Å; E200-Y204 PolarHBondContact O-N 3.4Å; I201-Y204 WeakPolarHBondContact O-CB 3.22Å; I201-Y204 PolarHBondContact O-N 3.12Å; C202-Y204 VanDerWaalsContact C-N 3.3Å; C202-Y204 PolarHBondContact O-N 2.83Å
205Y91Very high94.1Very high20 Ų2025.4 Ų25.48%0.07811%0.11CC..THydrogen-bonded Turntrans-95.918.5178.5-66.3-64.8000114.6R161 A166 Y169 I201 C202 C203 R207 L519R161-Y205 HydrophobicContact CG-CE1 4.44Å; A166-Y205 HydrophobicContact CB-CD1 3.73Å; A166-Y205 HydrophobicContact CB-CE1 3.5Å; Y169-Y205 AromaticContact CD1-CD2 3.53Å; Y169-Y205 HydrophobicContact CD1-CD2 3.53Å; Y169-Y205 HydrophobicContact CD1-CE2 4.08Å; Y169-Y205 AromaticContact CD1-CG 3.96Å; Y169-Y205 HydrophobicContact CD1-CG 3.96Å; Y169-Y205 HydrophobicContact CD2-CD2 4.47Å; Y169-Y205 AromaticContact CE1-CD2 3.8Å; Y169-Y205 HydrophobicContact CE1-CD2 3.8Å; Y169-Y205 HydrophobicContact CE1-CG 4.16Å; Y169-Y205 AromaticContact CG-CD2 3.88Å; Y169-Y205 HydrophobicContact CG-CD2 3.88Å; Y169-Y205 AromaticContact CG-CE2 4Å; Y169-Y205 HydrophobicContact CG-CE2 4Å; I201-Y205 HydrophobicContact CG2-CD2 3.92Å; I201-Y205 HydrophobicContact CG2-CE2 4.05Å; I201-Y205 WeakPolarHBondContact O-CD2 3.49Å; I201-Y205 PolarHBondContact O-N 3.32Å; I201-Y205 VanDerWaalsContact O-N 3.1Å; C202-Y205 CarbonylContact O-C 3.35Å; C202-Y205 PolarHBondContact O-N 3.08Å; C203-Y205 VanDerWaalsContact C-N 3.33Å; C203-Y205 PolarHBondContact O-N 3.11Å; Y205-R207 VanDerWaalsContact C-N 3.26Å; Y205-R207 PolarHBondContact O-N 3.03Å; Y205-L519 HydrophobicContact CD1-CD1 4.24Å
206Y89.1Confident94Very high32 Ų3229.4 Ų29.413%0.12513%0.132CC..THydrogen-bonded Turntrans63.426.1174.3-55.7-66.8000115.2R161 C202 C203 F208 L519 I550 E551R161-Y206 VanDerWaalsContact CZ-CZ 3.4Å; R161-Y206 VanDerWaalsContact CZ-OH 3.28Å; R161-Y206 VanDerWaalsContact NH1-CZ 3.29Å; R161-Y206 PolarHBondContact NH1-OH 2.98Å; R161-Y206 VanDerWaalsContact NH2-CZ 3.33Å; R161-Y206 PolarHBondContact NH2-OH 3.33Å; C202-Y206 PolarHBondContact O-N 3.08Å; C202-Y206 VanDerWaalsContact O-N 3.13Å; C203-Y206 PolarHBondContact O-N 2.88Å; Y206-F208 AromaticContact CD1-CE2 4Å; Y206-F208 HydrophobicContact CD1-CE2 4Å; Y206-F208 AromaticContact CD1-CZ 3.65Å; Y206-F208 HydrophobicContact CD1-CZ 3.65Å; Y206-F208 HydrophobicContact CE1-CZ 4.37Å; Y206-F208 PolarHBondContact O-N 3.19Å; Y206-L519 HydrophobicContact CD2-CD2 4.39Å; Y206-I550 HydrophobicContact CD1-CG2 3.76Å; Y206-I550 WeakPolarHBondContact CD1-O 3.37Å; Y206-I550 HydrophobicContact CD2-CG2 3.53Å; Y206-I550 HydrophobicContact CE1-CG2 3.71Å; Y206-I550 HydrophobicContact CE2-CG2 3.44Å; Y206-I550 VanDerWaalsContact CE2-CG2 3.44Å; Y206-I550 HydrophobicContact CG-CG2 3.64Å; Y206-I550 VanDerWaalsContact CZ-CG2 3.49Å; Y206-E551 HydrophobicContact CD1-CG 4.32Å; Y206-E551 HydrophobicContact CE1-CG 3.82Å; Y206-E551 VanDerWaalsContact CE1-OE1 3.24Å; Y206-E551 WeakPolarHBondContact CE1-OE1 3.24Å; Y206-E551 PolarHBondContact OH-OE1 3.1Å
207R91.2Very high94Very high60 Ų6031.3 Ų31.323%0.22614%0.143CC..  trans-95.662.6172.9-68.9-170.765.9170.5-6110.6F173 V174 C202 Y205 E209 D210 A211F173-R207 VanDerWaalsContact CD1-NH1 3.28Å; F173-R207 PolarHBondContact O-NH1 3.07Å; V174-R207 PolarHBondContact O-NH2 3.31Å; C202-R207 HydrophobicContact CB-CB 4.14Å; C202-R207 WeakPolarHBondContact CB-O 3.46Å; C202-R207 PolarHBondContact O-N 3.27Å; Y205-R207 VanDerWaalsContact C-N 3.26Å; Y205-R207 PolarHBondContact O-N 3.03Å; R207-E209 VanDerWaalsContact C-N 3.32Å; R207-E209 PolarHBondContact O-N 3.45Å; R207-D210 HydrophobicContact CB-CB 4.26Å; R207-D210 IonicContact CZ-OD2 3.79Å; R207-D210 IonicContact NE-OD2 3.85Å; R207-D210 PolarHBondContact NE-OD2 3.23Å; R207-D210 IonicContact NH2-OD1 3.55Å; R207-D210 PolarHBondContact NH2-OD1 3.43Å; R207-D210 VanDerWaalsContact NH2-OD1 3.08Å; R207-D210 IonicContact NH2-OD2 3.38Å; R207-D210 PolarHBondContact NH2-OD2 3.34Å; R207-D210 PolarHBondContact O-N 3.23Å; R207-A211 PolarHBondContact O-N 3.06Å
208F91.2Very high93.9Very high28 Ų2831.2 Ų31.212%0.12314%0.143CC..Hα-helixtrans-65.7-31.1-172.1-59.8-55.9000114.2Y206 A211 R212 F313 R316 I550Y206-F208 AromaticContact CD1-CE2 4Å; Y206-F208 HydrophobicContact CD1-CE2 4Å; Y206-F208 AromaticContact CD1-CZ 3.65Å; Y206-F208 HydrophobicContact CD1-CZ 3.65Å; Y206-F208 HydrophobicContact CE1-CZ 4.37Å; Y206-F208 PolarHBondContact O-N 3.19Å; F208-A211 PolarHBondContact O-N 3.05Å; F208-R212 WeakPolarHBondContact O-CB 3.39Å; F208-R212 PolarHBondContact O-N 3.35Å; F208-F313 WeakPolarHBondContact O-CE2 3.1Å; F208-R316 HydrophobicContact CE1-CB 3.89Å; F208-R316 WeakPolarHBondContact CE1-O 3.45Å; F208-R316 WeakPolarHBondContact CZ-O 3.49Å; F208-I550 VanDerWaalsContact CE2-O 3.31Å; F208-I550 WeakPolarHBondContact CE2-O 3.28Å
209E92.1Very high93.8Very high96 Ų9632.4 Ų32.445%0.44915%0.149SC..Hα-helixtrans-64.4-46.7175.6-173.556-137.200111R207 A211 R212 I213R207-E209 VanDerWaalsContact C-N 3.32Å; R207-E209 PolarHBondContact O-N 3.45Å; E209-A211 VanDerWaalsContact C-N 3.33Å; E209-A211 PolarHBondContact O-N 2.87Å; E209-R212 WeakPolarHBondContact O-CB 3.5Å; E209-R212 PolarHBondContact O-N 2.95Å; E209-R212 IonicContact OE1-CZ 2.91Å; E209-R212 IonicContact OE1-NE 3.67Å; E209-R212 PolarHBondContact OE1-NE 3.33Å; E209-R212 IonicContact OE1-NH2 3.59Å; E209-R212 PolarHBondContact OE1-NH2 3.04Å; E209-R212 IonicContact OE2-CZ 3.5Å; E209-R212 VanDerWaalsContact OE2-CZ 3.25Å; E209-R212 IonicContact OE2-NE 3.82Å; E209-R212 IonicContact OE2-NH2 3.62Å; E209-R212 PolarHBondContact OE2-NH2 2.91Å; E209-I213 HydrophobicContact CG-CD1 4.27Å; E209-I213 WeakPolarHBondContact O-CG1 3.5Å; E209-I213 PolarHBondContact O-N 3.42Å
210D95.2Very high93.6Very high28 Ų2838.1 Ų38.115%0.1518%0.179CC..Hα-helixtrans-64.6-38.5176.2-58.7-74.6000111.9F173 P176 C202 R207 R212 I213 A214F173-D210 HydrophobicContact CE1-CB 4.05Å; F173-D210 HydrophobicContact CZ-CB 4.3Å; P176-D210 HydrophobicContact CG-CB 4.26Å; P176-D210 WeakPolarHBondContact CG-O 3.43Å; C202-D210 HydrophobicContact CB-CB 4.39Å; R207-D210 HydrophobicContact CB-CB 4.26Å; R207-D210 IonicContact CZ-OD2 3.79Å; R207-D210 IonicContact NE-OD2 3.85Å; R207-D210 PolarHBondContact NE-OD2 3.23Å; R207-D210 IonicContact NH2-OD1 3.55Å; R207-D210 PolarHBondContact NH2-OD1 3.43Å; R207-D210 VanDerWaalsContact NH2-OD1 3.08Å; R207-D210 IonicContact NH2-OD2 3.38Å; R207-D210 PolarHBondContact NH2-OD2 3.34Å; R207-D210 PolarHBondContact O-N 3.23Å; D210-R212 VanDerWaalsContact C-N 3.32Å; D210-R212 PolarHBondContact O-N 3.43Å; D210-I213 PolarHBondContact O-N 3.34Å; D210-A214 WeakPolarHBondContact O-CB 3.38Å; D210-A214 PolarHBondContact O-N 3.07Å
211A95.9Very high93.6Very high0 Ų038.9 Ų38.90%018%0.183CC..Hα-helixtrans-60.7-41.5173.600000111.8V199 C202 C203 R207 F208 E209 A214 L215 F313V199-A211 HydrophobicContact CG1-CB 4.39Å; C202-A211 HydrophobicContact CB-CB 3.67Å; C203-A211 VanDerWaalsContact SG-CB 3.54Å; R207-A211 PolarHBondContact O-N 3.06Å; F208-A211 PolarHBondContact O-N 3.05Å; E209-A211 VanDerWaalsContact C-N 3.33Å; E209-A211 PolarHBondContact O-N 2.87Å; A211-A214 PolarHBondContact O-N 2.97Å; A211-L215 VanDerWaalsContact O-CB 3.29Å; A211-L215 WeakPolarHBondContact O-CB 3.47Å; A211-L215 PolarHBondContact O-N 3.38Å; A211-F313 HydrophobicContact CB-CD2 3.79Å; A211-F313 HydrophobicContact CB-CE2 4.08Å
212R95.5Very high93.4Very high113 Ų11338.5 Ų38.543%0.42618%0.181SC..Hα-helixtrans-64.6-46.1177.3-176.4177.266.8174.70.9111.5F208 E209 D210 L215 N216 F313F208-R212 WeakPolarHBondContact O-CB 3.39Å; F208-R212 PolarHBondContact O-N 3.35Å; E209-R212 WeakPolarHBondContact O-CB 3.5Å; E209-R212 PolarHBondContact O-N 2.95Å; E209-R212 IonicContact OE1-CZ 2.91Å; E209-R212 IonicContact OE1-NE 3.67Å; E209-R212 PolarHBondContact OE1-NE 3.33Å; E209-R212 IonicContact OE1-NH2 3.59Å; E209-R212 PolarHBondContact OE1-NH2 3.04Å; E209-R212 IonicContact OE2-CZ 3.5Å; E209-R212 VanDerWaalsContact OE2-CZ 3.25Å; E209-R212 IonicContact OE2-NE 3.82Å; E209-R212 IonicContact OE2-NH2 3.62Å; E209-R212 PolarHBondContact OE2-NH2 2.91Å; D210-R212 VanDerWaalsContact C-N 3.32Å; D210-R212 PolarHBondContact O-N 3.43Å; R212-L215 PolarHBondContact O-N 2.78Å; R212-N216 WeakPolarHBondContact O-CB 3.49Å; R212-N216 VanDerWaalsContact O-CG 3.31Å; R212-N216 PolarHBondContact O-N 3.04Å; R212-F313 HydrophobicContact CB-CE2 3.93Å; R212-F313 HydrophobicContact CB-CZ 3.75Å; R212-F313 HydrophobicContact CG-CZ 4.16Å
213I96.6Very high93.1Very high50 Ų5040.9 Ų40.926%0.25619%0.194SC..Hα-helixtrans-59.6-50.9177.1-66.6166.2000109.4P176 E209 D210 L215 N216 T217P176-I213 HydrophobicContact CB-CG2 4.3Å; P176-I213 HydrophobicContact CG-CB 4.23Å; P176-I213 HydrophobicContact CG-CG2 4.08Å; E209-I213 HydrophobicContact CG-CD1 4.27Å; E209-I213 WeakPolarHBondContact O-CG1 3.5Å; E209-I213 PolarHBondContact O-N 3.42Å; D210-I213 PolarHBondContact O-N 3.34Å; I213-L215 VanDerWaalsContact C-N 3.34Å; I213-L215 PolarHBondContact O-N 2.99Å; I213-N216 PolarHBondContact O-N 2.92Å; I213-T217 WeakPolarHBondContact O-CB 3.44Å; I213-T217 PolarHBondContact O-N 3.17Å; I213-T217 PolarHBondContact O-OG1 3.49Å
214A96.9Very high92.8Very high0 Ų041 Ų410%020%0.195CC..Hα-helixtrans-58.8-42.9179.400000112.7P176 L195 L198 V199 D210 A211 C218P176-A214 HydrophobicContact CB-CB 4.07Å; P176-A214 HydrophobicContact CG-CB 3.9Å; L195-A214 HydrophobicContact CD2-CB 4.08Å; L198-A214 HydrophobicContact CB-CB 4.46Å; V199-A214 HydrophobicContact CG2-CB 3.78Å; D210-A214 WeakPolarHBondContact O-CB 3.38Å; D210-A214 PolarHBondContact O-N 3.07Å; A211-A214 PolarHBondContact O-N 2.97Å; A214-C218 WeakPolarHBondContact O-CB 3.32Å; A214-C218 PolarHBondContact O-N 3.43Å
215L95.9Very high92.6Very high18 Ų1840.4 Ų40.49%0.09420%0.197CC..Hα-helixtrans-65-48.6178.7-177.962.7000111.3V199 A211 R212 I213 T217 C218 M219 A309 F313V199-L215 HydrophobicContact CG1-CB 4.45Å; V199-L215 HydrophobicContact CG2-CB 3.74Å; V199-L215 HydrophobicContact CG2-CD1 4.38Å; A211-L215 VanDerWaalsContact O-CB 3.29Å; A211-L215 WeakPolarHBondContact O-CB 3.47Å; A211-L215 PolarHBondContact O-N 3.38Å; R212-L215 PolarHBondContact O-N 2.78Å; I213-L215 VanDerWaalsContact C-N 3.34Å; I213-L215 PolarHBondContact O-N 2.99Å; L215-T217 PolarHBondContact O-N 3.36Å; L215-C218 PolarHBondContact O-N 3.07Å; L215-C218 PolarHBondContact O-SG 3.44Å; L215-M219 HydrophobicContact CD1-CG 4.31Å; L215-M219 WeakPolarHBondContact O-CG 3.36Å; L215-M219 PolarHBondContact O-N 2.9Å; L215-A309 HydrophobicContact CD1-CB 4.22Å; L215-F313 HydrophobicContact CD2-CB 4.06Å; L215-F313 HydrophobicContact CD2-CD1 3.93Å; L215-F313 HydrophobicContact CD2-CG 4.1Å
216N95.3Very high92.5Very high85 Ų8540.2 Ų40.246%0.45520%0.2SC..Hα-helixtrans-62.2-46.1178.6-70.4-10.4000110.9R212 I213 C218 M219 D220R212-N216 WeakPolarHBondContact O-CB 3.49Å; R212-N216 VanDerWaalsContact O-CG 3.31Å; R212-N216 PolarHBondContact O-N 3.04Å; I213-N216 PolarHBondContact O-N 2.92Å; N216-C218 VanDerWaalsContact C-N 3.31Å; N216-C218 PolarHBondContact O-N 2.98Å; N216-M219 PolarHBondContact O-N 3.3Å; N216-D220 WeakPolarHBondContact O-CB 3.5Å; N216-D220 PolarHBondContact O-N 3.14Å
217T95.7Very high92.5Very high40 Ų4043.9 Ų43.925%0.24522%0.218CC..Hα-helixtrans-59.8-40.1177.3-550000111.8L180 L195 I213 L215 M221L180-T217 HydrophobicContact CD1-CG2 4.13Å; L195-T217 HydrophobicContact CD1-CG2 3.77Å; I213-T217 WeakPolarHBondContact O-CB 3.44Å; I213-T217 PolarHBondContact O-N 3.17Å; I213-T217 PolarHBondContact O-OG1 3.49Å; L215-T217 PolarHBondContact O-N 3.36Å; T217-M221 HydrophobicContact CG2-CG 4.41Å; T217-M221 HydrophobicContact CG2-SD 4.23Å; T217-M221 VanDerWaalsContact O-CB 3.26Å; T217-M221 WeakPolarHBondContact O-CB 3.48Å; T217-M221 WeakPolarHBondContact O-CG 3.4Å; T217-M221 PolarHBondContact O-N 2.92Å
218C94.3Very high92.3Very high0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-70.5-36.2178.880.70000112.7L195 I196 A214 L215 N216 M221 L222L195-C218 HydrophobicContact CB-CB 3.66Å; L195-C218 HydrophobicContact CD1-CB 3.96Å; L195-C218 HydrophobicContact CG-CB 4.48Å; I196-C218 HydrophobicContact CG1-CB 4.33Å; A214-C218 WeakPolarHBondContact O-CB 3.32Å; A214-C218 PolarHBondContact O-N 3.43Å; L215-C218 PolarHBondContact O-N 3.07Å; L215-C218 PolarHBondContact O-SG 3.44Å; N216-C218 VanDerWaalsContact C-N 3.31Å; N216-C218 PolarHBondContact O-N 2.98Å; C218-M221 CarbonylContact O-C 3.51Å; C218-M221 PolarHBondContact O-N 3.22Å; C218-L222 WeakPolarHBondContact O-CB 3.5Å; C218-L222 WeakPolarHBondContact O-CG 3.24Å; C218-L222 PolarHBondContact O-N 3.18Å
219M92.9Very high92.2Very high26 Ų2644.1 Ų44.113%0.12823%0.229CC..Hα-helixtrans-68.3-43.2176.5-61.2-74.2-74.400110.9L215 N216 M221 L222 D223 F224 A226 A306L215-M219 HydrophobicContact CD1-CG 4.31Å; L215-M219 WeakPolarHBondContact O-CG 3.36Å; L215-M219 PolarHBondContact O-N 2.9Å; N216-M219 PolarHBondContact O-N 3.3Å; M219-M221 VanDerWaalsContact C-N 3.35Å; M219-M221 PolarHBondContact O-N 3.33Å; M219-L222 CarbonylContact O-C 3.59Å; M219-L222 WeakPolarHBondContact O-CA 3.3Å; M219-L222 PolarHBondContact O-N 3.42Å; M219-D223 PolarHBondContact O-N 2.86Å; M219-F224 HydrophobicContact CE-CD1 4.37Å; M219-F224 HydrophobicContact CE-CD2 4.1Å; M219-F224 HydrophobicContact CE-CE1 3.82Å; M219-F224 HydrophobicContact CE-CE2 3.52Å; M219-F224 HydrophobicContact CE-CZ 3.39Å; M219-F224 PolarHBondContact O-N 3.44Å; M219-F224 HydrophobicContact SD-CD1 4.28Å; M219-F224 HydrophobicContact SD-CE1 3.34Å; M219-F224 WeakPolarHBondContact SD-CE1 3.44Å; M219-F224 HydrophobicContact SD-CE2 4Å; M219-F224 HydrophobicContact SD-CZ 3.19Å; M219-F224 WeakPolarHBondContact SD-CZ 3.27Å; M219-A226 HydrophobicContact CE-CB 4.17Å; M219-A306 HydrophobicContact SD-CB 3.8Å
220D92.4Very high92.1Very high121 Ų12142.4 Ų42.465%0.64724%0.236SC*.Hα-helixtrans-61.7-43.6173.6-66.5-22.1000110.8N216 L222 D223N216-D220 WeakPolarHBondContact O-CB 3.5Å; N216-D220 PolarHBondContact O-N 3.14Å; D220-L222 PolarHBondContact O-N 3.31Å; D220-D223 PolarHBondContact O-N 3.1Å
221M92.3Very high91.8Very high41 Ų4142.2 Ų42.220%0.20224%0.236CC..THydrogen-bonded Turntrans-68.4-10.6172.8-73.9-17373.900113.6R188 K191 V192 L195 T217 C218 M219R188-M221 HydrophobicContact CG-CE 3.91Å; R188-M221 PolarHBondContact NE-O 3.38Å; R188-M221 VanDerWaalsContact NH2-C 3.32Å; R188-M221 PolarHBondContact NH2-O 2.85Å; K191-M221 HydrophobicContact CB-CE 3.67Å; K191-M221 HydrophobicContact CB-SD 4.37Å; K191-M221 HydrophobicContact CD-CE 4.01Å; V192-M221 HydrophobicContact CG2-CB 3.73Å; V192-M221 HydrophobicContact CG2-CE 4.24Å; L195-M221 HydrophobicContact CD1-SD 3.78Å; T217-M221 HydrophobicContact CG2-CG 4.41Å; T217-M221 HydrophobicContact CG2-SD 4.23Å; T217-M221 VanDerWaalsContact O-CB 3.26Å; T217-M221 WeakPolarHBondContact O-CB 3.48Å; T217-M221 WeakPolarHBondContact O-CG 3.4Å; T217-M221 PolarHBondContact O-N 2.92Å; C218-M221 CarbonylContact O-C 3.51Å; C218-M221 PolarHBondContact O-N 3.22Å; M219-M221 VanDerWaalsContact C-N 3.35Å; M219-M221 PolarHBondContact O-N 3.33Å
222L90.3Very high91.5Very high1 Ų146.3 Ų46.31%0.00526%0.257CS..THydrogen-bonded Turntrans-103.7-3.1170.6-75.7168.9000111.7V192 C218 M219 D220 F224 I261 A302 E303 A306V192-L222 HydrophobicContact CG1-CD1 3.68Å; V192-L222 HydrophobicContact CG1-CD2 3.98Å; V192-L222 HydrophobicContact CG1-CG 3.79Å; V192-L222 HydrophobicContact CG2-CD2 4.32Å; V192-L222 HydrophobicContact CG2-CG 4.14Å; C218-L222 WeakPolarHBondContact O-CB 3.5Å; C218-L222 WeakPolarHBondContact O-CG 3.24Å; C218-L222 PolarHBondContact O-N 3.18Å; M219-L222 CarbonylContact O-C 3.59Å; M219-L222 WeakPolarHBondContact O-CA 3.3Å; M219-L222 PolarHBondContact O-N 3.42Å; D220-L222 PolarHBondContact O-N 3.31Å; L222-F224 HydrophobicContact CB-CD1 3.4Å; L222-F224 HydrophobicContact CB-CE1 3.63Å; L222-F224 HydrophobicContact CD1-CD1 4.29Å; L222-F224 HydrophobicContact CD1-CE1 3.63Å; L222-F224 HydrophobicContact CG-CD1 4.49Å; L222-F224 HydrophobicContact CG-CE1 4.29Å; L222-F224 PolarHBondContact O-N 3.46Å; L222-I261 HydrophobicContact CD2-CD1 3.73Å; L222-A302 HydrophobicContact CD2-CB 4.19Å; L222-E303 HydrophobicContact CB-CG 4.36Å; L222-E303 HydrophobicContact CD1-CG 4.13Å; L222-E303 HydrophobicContact CD2-CG 4.22Å; L222-E303 HydrophobicContact CG-CG 4.49Å; L222-A306 HydrophobicContact CD1-CB 3.91Å
223D88.1Confident91.3Very high50 Ų5040.9 Ų40.927%0.26724%0.237SC..THydrogen-bonded Turntrans51.240-179.2-161.134.6000113.4M219 D220 N253 G254 F258M219-D223 PolarHBondContact O-N 2.86Å; D220-D223 PolarHBondContact O-N 3.1Å; D223-N253 PolarHBondContact O-N 3.29Å; D223-N253 WeakPolarHBondContact OD1-CB 3.43Å; D223-G254 PolarHBondContact OD2-N 3.21Å; D223-G254 VanDerWaalsContact OD2-N 3.15Å; D223-F258 HydrophobicContact CB-CE1 4.41Å; D223-F258 HydrophobicContact CB-CZ 3.73Å
224F85.9Confident91Very high6 Ų642.9 Ų42.93%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-134.9150.4174.988.3-68.8000111.4M219 L222 V250 Q251 T252 L299 E303 A306 L307M219-F224 HydrophobicContact CE-CD1 4.37Å; M219-F224 HydrophobicContact CE-CD2 4.1Å; M219-F224 HydrophobicContact CE-CE1 3.82Å; M219-F224 HydrophobicContact CE-CE2 3.52Å; M219-F224 HydrophobicContact CE-CZ 3.39Å; M219-F224 PolarHBondContact O-N 3.44Å; M219-F224 HydrophobicContact SD-CD1 4.28Å; M219-F224 HydrophobicContact SD-CE1 3.34Å; M219-F224 WeakPolarHBondContact SD-CE1 3.44Å; M219-F224 HydrophobicContact SD-CE2 4Å; M219-F224 HydrophobicContact SD-CZ 3.19Å; M219-F224 WeakPolarHBondContact SD-CZ 3.27Å; L222-F224 HydrophobicContact CB-CD1 3.4Å; L222-F224 HydrophobicContact CB-CE1 3.63Å; L222-F224 HydrophobicContact CD1-CD1 4.29Å; L222-F224 HydrophobicContact CD1-CE1 3.63Å; L222-F224 HydrophobicContact CG-CD1 4.49Å; L222-F224 HydrophobicContact CG-CE1 4.29Å; L222-F224 PolarHBondContact O-N 3.46Å; F224-V250 HydrophobicContact CD2-CG1 3.72Å; F224-V250 HydrophobicContact CE2-CG1 4.4Å; F224-Q251 CarbonylContact C-O 3.53Å; F224-Q251 VanDerWaalsContact CA-O 3.29Å; F224-Q251 WeakPolarHBondContact CA-O 3.36Å; F224-T252 HydrophobicContact CB-CG2 3.86Å; F224-L299 HydrophobicContact CD2-CD2 4.49Å; F224-E303 HydrophobicContact CD1-CG 3.97Å; F224-E303 HydrophobicContact CE1-CB 4.17Å; F224-E303 HydrophobicContact CE1-CG 3.89Å; F224-E303 HydrophobicContact CE2-CB 4.35Å; F224-E303 HydrophobicContact CG-CG 4.35Å; F224-E303 HydrophobicContact CZ-CB 4Å; F224-E303 HydrophobicContact CZ-CG 4.21Å; F224-A306 HydrophobicContact CE1-CB 4.17Å; F224-A306 HydrophobicContact CZ-CB 3.99Å; F224-L307 HydrophobicContact CE2-CD2 3.89Å; F224-L307 HydrophobicContact CE2-CG 4.21Å; F224-L307 HydrophobicContact CZ-CD2 4.36Å; F224-L307 HydrophobicContact CZ-CG 4.48Å
225S87.7Confident90.5Very high33 Ų3347.2 Ų47.223%0.23126%0.258CS..EExtended strand (participates in β ladder)trans-128.3143.1175.865.50000110.2V250 Q251S225-V250 WeakPolarHBondContact O-CA 3.33Å; S225-Q251 PolarHBondContact N-O 2.97Å; S225-Q251 PolarHBondContact O-N 3.32Å
226A88.6Confident90.2Very high17 Ų1748.1 Ų48.114%0.1426%0.264CS..EExtended strand (participates in β ladder)trans-118.8119.3177.100000107.8M219 L248 V250 L307 Y331M219-A226 HydrophobicContact CE-CB 4.17Å; A226-L248 HydrophobicContact CB-CD1 3.97Å; A226-L248 HydrophobicContact CB-CD2 4.46Å; A226-L248 HydrophobicContact CB-CG 4.4Å; A226-V250 HydrophobicContact CB-CG2 4.43Å; A226-L307 HydrophobicContact CB-CD2 3.75Å; A226-Y331 HydrophobicContact CB-CE1 3.9Å; A226-Y331 PolarHBondContact O-OH 2.96Å
227Q87.7Confident89.8Confident108 Ų10850.3 Ų50.351%0.50527%0.266SS..EExtended strand (participates in β ladder)trans-127.5132-178.4-67-177.7-1.300110.1K249Q227-K249 PolarHBondContact N-O 2.62Å; Q227-K249 PolarHBondContact O-N 2.78Å
228V88.6Confident89.4Confident42 Ų4255.8 Ų55.826%0.25529%0.287SS..EExtended strand (participates in β ladder)trans-80.6126173.5-175.80000108.1L246 L248 E327 L330 Y331V228-L246 HydrophobicContact CG1-CB 3.92Å; V228-L246 HydrophobicContact CG1-CD1 4.32Å; V228-L246 HydrophobicContact CG1-CD2 3.86Å; V228-L246 HydrophobicContact CG1-CG 4.25Å; V228-L248 HydrophobicContact CG2-CD1 4.09Å; V228-E327 HydrophobicContact CG2-CB 4.39Å; V228-L330 HydrophobicContact CG1-CD1 3.79Å; V228-L330 HydrophobicContact CG2-CD1 4.33Å; V228-Y331 HydrophobicContact CG2-CE2 3.83Å
229T89Confident89.2Confident52 Ų5257.2 Ų57.232%0.31929%0.293SS..EExtended strand (participates in β ladder)trans-132.1169.4-179.860.60000110.1L246 V247T229-L246 CarbonylContact O-C 3.38Å; T229-L246 VanDerWaalsContact O-CA 3.32Å; T229-L246 WeakPolarHBondContact O-CA 3.46Å; T229-V247 PolarHBondContact N-O 3.09Å; T229-V247 PolarHBondContact O-N 2.45Å; T229-V247 PolarHBondContact OG1-O 3.24Å
230G88.6Confident89Confident59 Ų5962.2 Ų62.261%0.60833%0.326SS*.EExtended strand (participates in β ladder)trans-106.3129.3179.400000112.1Q245G230-Q245 CarbonylContact C-O 3.58Å; G230-Q245 VanDerWaalsContact CA-O 3.3Å; G230-Q245 WeakPolarHBondContact CA-O 3.37Å
231V89Confident88.9Confident24 Ų2462.8 Ų62.815%0.14532%0.323CS..EExtended strand (participates in β ladder)trans-130.7143.6172.6-177.60000108.8G233 Q245 V247 L288 E290V231-G233 PolarHBondContact O-N 3.42Å; V231-Q245 PolarHBondContact N-O 3.11Å; V231-Q245 WeakPolarHBondContact O-CA 3.34Å; V231-Q245 WeakPolarHBondContact O-CB 3.36Å; V231-Q245 PolarHBondContact O-N 3.06Å; V231-V247 HydrophobicContact CB-CG2 3.85Å; V231-V247 HydrophobicContact CG2-CB 4.2Å; V231-V247 HydrophobicContact CG2-CG2 3.84Å; V231-L288 HydrophobicContact CB-CD2 4.28Å; V231-L288 HydrophobicContact CG1-CB 4.42Å; V231-L288 HydrophobicContact CG1-CD2 4.33Å; V231-E290 HydrophobicContact CG1-CB 4.24Å; V231-E290 HydrophobicContact CG1-CG 4.45Å
232L91Very high88.8Confident86 Ų8663.9 Ų63.945%0.4533%0.329SS..EExtended strand (participates in β ladder)trans-67.5133.8177.3-70.3177.1000110.8D242 C243 P244 S289L232-D242 HydrophobicContact CB-CB 3.99Å; L232-C243 WeakPolarHBondContact CA-O 3.09Å; L232-P244 HydrophobicContact CD2-CG 4.09Å; L232-S289 VanDerWaalsContact CB-OG 3.32Å; L232-S289 WeakPolarHBondContact CB-OG 3.47Å; L232-S289 WeakPolarHBondContact O-CB 3.12Å; L232-S289 PolarHBondContact O-N 3.2Å; L232-S289 PolarHBondContact O-OG 3.47Å
233G91.2Very high88.7Confident0 Ų065.7 Ų65.70%034%0.341CS..EExtended strand (participates in β ladder)trans-171.5-174.3176.800000114.2V231 C243 Q245 C287V231-G233 PolarHBondContact O-N 3.42Å; G233-C243 PolarHBondContact N-O 3.28Å; G233-C243 PolarHBondContact O-N 2.69Å; G233-Q245 PolarHBondContact O-NE2 3.25Å; G233-C287 CarbonylContact C-O 3.56Å; G233-C287 WeakPolarHBondContact CA-O 3.42Å
234R89.3Confident88.8Confident91 Ų9168.3 Ų68.334%0.34336%0.361SS..EExtended strand (participates in β ladder)trans-125140.3-175.4-72.1176.1-82.1155.52.7111.4Q239 D242 L283 V286 C287R234-Q239 VanDerWaalsContact CD-O 3.22Å; R234-Q239 WeakPolarHBondContact CD-O 3.37Å; R234-Q239 HydrophobicContact CG-CB 4.23Å; R234-Q239 HydrophobicContact CG-CG 3.91Å; R234-D242 WeakPolarHBondContact CD-OD1 3.24Å; R234-D242 VanDerWaalsContact CG-OD1 3.29Å; R234-D242 WeakPolarHBondContact CG-OD1 3.45Å; R234-D242 IonicContact NE-OD1 3.17Å; R234-D242 PolarHBondContact NE-OD1 2.76Å; R234-L283 HydrophobicContact CB-CD1 4.45Å; R234-L283 WeakPolarHBondContact O-CD1 3.48Å; R234-V286 WeakPolarHBondContact O-CA 3.47Å; R234-V286 WeakPolarHBondContact O-CG1 3.23Å; R234-C287 PolarHBondContact N-O 2.9Å; R234-C287 PolarHBondContact O-N 3.19Å
235R86.7Confident89Confident91 Ų9168.7 Ų68.734%0.34336%0.363SS..EExtended strand (participates in β ladder)trans-101.8-22.7176-69.7-174.2175.2-153.3-10.2113.2Q245 L283 V286 E326R235-Q245 VanDerWaalsContact CG-OE1 3.3Å; R235-L283 PolarHBondContact O-N 2.95Å; R235-V286 HydrophobicContact CG-CG2 4.21Å; R235-E326 IonicContact CZ-OE2 2.93Å; R235-E326 IonicContact NH1-OE2 3.65Å; R235-E326 PolarHBondContact NH1-OE2 3.12Å; R235-E326 IonicContact NH2-OE2 3.79Å; R235-E326 PolarHBondContact NH2-OE2 2.87Å
236T89.6Confident89.1Confident37 Ų3769 Ų6923%0.22736%0.362CS..EExtended strand (participates in β ladder)trans-121.6153.8-174.271.50000110.9F238 Q239 T281 L282T236-F238 PolarHBondContact O-N 3.49Å; T236-Q239 VanDerWaalsContact OG1-CB 3.25Å; T236-Q239 WeakPolarHBondContact OG1-CB 3.39Å; T236-Q239 PolarHBondContact OG1-N 3.03Å; T236-T281 CarbonylContact C-O 3.53Å; T236-T281 WeakPolarHBondContact CA-O 3.47Å; T236-T281 VanDerWaalsContact CB-O 3.23Å; T236-T281 WeakPolarHBondContact CB-O 3.16Å; T236-T281 HydrophobicContact CG2-CG2 4.22Å; T236-L282 HydrophobicContact CG2-CD2 4.09Å
237R86.9Confident89Confident132 Ų13269.3 Ų69.350%0.49836%0.362SS..THydrogen-bonded Turntrans-66.9-25.5177.4-65.3179.5-175.2167.44.6113D279 T281 L283R237-D279 PolarHBondContact NH1-O 3.03Å; R237-D279 VanDerWaalsContact NH1-O 3.13Å; R237-D279 PolarHBondContact NH2-O 3.22Å; R237-T281 PolarHBondContact N-O 3.4Å; R237-L283 HydrophobicContact CG-CD2 3.56Å; R237-L283 HydrophobicContact CG-CG 4.29Å
238F87.6Confident89.1Confident154 Ų15464.8 Ų64.868%0.67534%0.341SS*.THydrogen-bonded Turntrans-96.4-8-175.6-55-70.6000114T236 T240 D280 T281T236-F238 PolarHBondContact O-N 3.49Å; F238-T240 PolarHBondContact O-N 2.93Å; F238-D280 WeakPolarHBondContact CE2-O 3.31Å; F238-T281 HydrophobicContact CD2-CG2 4.08Å; F238-T281 HydrophobicContact CE2-CG2 4.28Å
239Q88.9Confident89Confident30 Ų3067.4 Ų67.414%0.1435%0.349CS..  trans-70.4125.1178.4-177.8-179.2-1100110.2R234 T236 F241 C243R234-Q239 VanDerWaalsContact CD-O 3.22Å; R234-Q239 WeakPolarHBondContact CD-O 3.37Å; R234-Q239 HydrophobicContact CG-CB 4.23Å; R234-Q239 HydrophobicContact CG-CG 3.91Å; T236-Q239 VanDerWaalsContact OG1-CB 3.25Å; T236-Q239 WeakPolarHBondContact OG1-CB 3.39Å; T236-Q239 PolarHBondContact OG1-N 3.03Å; Q239-F241 VanDerWaalsContact CD-O 3.29Å; Q239-F241 HydrophobicContact CG-CD1 4.5Å; Q239-F241 WeakPolarHBondContact CG-O 3.35Å; Q239-F241 PolarHBondContact NE2-O 3.42Å; Q239-C243 PolarHBondContact NE2-SG 2.98Å; Q239-C243 VanDerWaalsContact NE2-SG 3.37Å
240T88.6Confident88.9Confident132 Ų13265.3 Ų65.381%0.8134%0.336SS*.  trans-97.6-9.5-176.3540000114.3F238F238-T240 PolarHBondContact O-N 2.93Å
241F90.6Very high88.5Confident133 Ų13366 Ų6658%0.58332%0.323SS*.SBendtrans-129148.1-178.559.6-83.6000110.3Q239 C243Q239-F241 VanDerWaalsContact CD-O 3.29Å; Q239-F241 HydrophobicContact CG-CD1 4.5Å; Q239-F241 WeakPolarHBondContact CG-O 3.35Å; Q239-F241 PolarHBondContact NE2-O 3.42Å; F241-C243 WeakPolarHBondContact CE2-SG 3.43Å
242D90.2Very high87.8Confident64 Ų6467.1 Ų67.134%0.34233%0.331SS..  trans-81.6139.2176.6-60.6-42.5000110.9L232 R234 S289L232-D242 HydrophobicContact CB-CB 3.99Å; R234-D242 WeakPolarHBondContact CD-OD1 3.24Å; R234-D242 VanDerWaalsContact CG-OD1 3.29Å; R234-D242 WeakPolarHBondContact CG-OD1 3.45Å; R234-D242 IonicContact NE-OD1 3.17Å; R234-D242 PolarHBondContact NE-OD1 2.76Å; D242-S289 WeakPolarHBondContact OD2-CB 3.4Å
243C89.2Confident86.8Confident38 Ų3868.5 Ų68.526%0.25734%0.338SS..EExtended strand (participates in β ladder)trans-115.7157.1173-70.70000109.8L232 G233 Q239 F241 Q245L232-C243 WeakPolarHBondContact CA-O 3.09Å; G233-C243 PolarHBondContact N-O 3.28Å; G233-C243 PolarHBondContact O-N 2.69Å; Q239-C243 PolarHBondContact NE2-SG 2.98Å; Q239-C243 VanDerWaalsContact NE2-SG 3.37Å; F241-C243 WeakPolarHBondContact CE2-SG 3.43Å; C243-Q245 WeakPolarHBondContact O-CG 3.5Å; C243-Q245 PolarHBondContact O-N 2.94Å; C243-Q245 PolarHBondContact O-NE2 3.47Å
244P90.6Very high85.1Confident106 Ų10669.4 Ų69.469%0.68835%0.348SS*.EExtended strand (participates in β ladder)trans-56.2127.5169.9-2434.3000111.5L232L232-P244 HydrophobicContact CD2-CG 4.09Å
245Q89.1Confident83.2Confident13 Ų1374.7 Ų74.76%0.06138%0.376CS..EExtended strand (participates in β ladder)trans-122.1141.6178.1-57-57.4-3900109.1G230 V231 G233 R235 C243 V286 L288G230-Q245 CarbonylContact C-O 3.58Å; G230-Q245 VanDerWaalsContact CA-O 3.3Å; G230-Q245 WeakPolarHBondContact CA-O 3.37Å; V231-Q245 PolarHBondContact N-O 3.11Å; V231-Q245 WeakPolarHBondContact O-CA 3.34Å; V231-Q245 WeakPolarHBondContact O-CB 3.36Å; V231-Q245 PolarHBondContact O-N 3.06Å; G233-Q245 PolarHBondContact O-NE2 3.25Å; R235-Q245 VanDerWaalsContact CG-OE1 3.3Å; C243-Q245 WeakPolarHBondContact O-CG 3.5Å; C243-Q245 PolarHBondContact O-N 2.94Å; C243-Q245 PolarHBondContact O-NE2 3.47Å; Q245-V286 HydrophobicContact CB-CG1 3.8Å; Q245-V286 HydrophobicContact CG-CG1 3.49Å; Q245-V286 VanDerWaalsContact CG-CG1 3.49Å; Q245-L288 HydrophobicContact CB-CD2 4.19Å
246L89.9Confident81.4Confident41 Ų4177 Ų7722%0.21539%0.391CS..EExtended strand (participates in β ladder)trans-74137173.5-59.1175000109.9V228 T229 F323 E326 E327 L330V228-L246 HydrophobicContact CG1-CB 3.92Å; V228-L246 HydrophobicContact CG1-CD1 4.32Å; V228-L246 HydrophobicContact CG1-CD2 3.86Å; V228-L246 HydrophobicContact CG1-CG 4.25Å; T229-L246 CarbonylContact O-C 3.38Å; T229-L246 VanDerWaalsContact O-CA 3.32Å; T229-L246 WeakPolarHBondContact O-CA 3.46Å; L246-F323 HydrophobicContact CD1-CE2 4.01Å; L246-F323 HydrophobicContact CD1-CZ 4.44Å; L246-F323 HydrophobicContact CD2-CE2 4.45Å; L246-E326 HydrophobicContact CD1-CB 4.23Å; L246-E327 HydrophobicContact CD1-CG 4.27Å; L246-L330 HydrophobicContact CB-CD1 3.56Å; L246-L330 WeakPolarHBondContact O-CD2 3.34Å
247V87.7Confident79.5Confident23 Ų2384.4 Ų84.414%0.13942%0.423CS..EExtended strand (participates in β ladder)trans-135.3136.8177.2-177.40000108.5T229 V231 L288T229-V247 PolarHBondContact N-O 3.09Å; T229-V247 PolarHBondContact O-N 2.45Å; T229-V247 PolarHBondContact OG1-O 3.24Å; V231-V247 HydrophobicContact CB-CG2 3.85Å; V231-V247 HydrophobicContact CG2-CB 4.2Å; V231-V247 HydrophobicContact CG2-CG2 3.84Å; V247-L288 HydrophobicContact CG1-CD1 4.34Å; V247-L288 HydrophobicContact CG2-CD1 3.69Å; V247-L288 HydrophobicContact CG2-CD2 3.73Å; V247-L288 HydrophobicContact CG2-CG 4.38Å
248L89.2Confident77.8Confident13 Ų1379.2 Ų79.27%0.06840%0.404CS..EExtended strand (participates in β ladder)trans-86.5111.3173-171.369.8000109.7A226 V228 V250 L330 Y331 K334A226-L248 HydrophobicContact CB-CD1 3.97Å; A226-L248 HydrophobicContact CB-CD2 4.46Å; A226-L248 HydrophobicContact CB-CG 4.4Å; V228-L248 HydrophobicContact CG2-CD1 4.09Å; L248-V250 HydrophobicContact CD2-CG2 4.11Å; L248-V250 HydrophobicContact CG-CG2 4.09Å; L248-L330 HydrophobicContact CB-CB 3.89Å; L248-Y331 HydrophobicContact CD1-CD2 3.9Å; L248-Y331 HydrophobicContact CD1-CE1 4.21Å; L248-Y331 HydrophobicContact CD1-CE2 3.44Å; L248-Y331 VanDerWaalsContact CD1-CE2 3.44Å; L248-Y331 HydrophobicContact CD1-CG 4.45Å; L248-Y331 HydrophobicContact CD2-CD1 4.25Å; L248-Y331 HydrophobicContact CD2-CD2 4.09Å; L248-Y331 HydrophobicContact CD2-CE2 4.43Å; L248-Y331 HydrophobicContact CD2-CG 3.98Å; L248-K334 HydrophobicContact CD2-CB 4.11Å; L248-K334 HydrophobicContact CD2-CG 4.39Å
249K86Confident76Confident97 Ų9774.8 Ų74.842%0.42240%0.402SS..EExtended strand (participates in β ladder)trans-90.8124.1171.7-169.1177.3-177.9-172.30108.7Q227 Q251Q227-K249 PolarHBondContact N-O 2.62Å; Q227-K249 PolarHBondContact O-N 2.78Å; K249-Q251 HydrophobicContact CD-CG 4.42Å; K249-Q251 HydrophobicContact CG-CG 4.27Å
250V86.1Confident74.4Confident8 Ų878 Ų785%0.04842%0.42CS..EExtended strand (participates in β ladder)trans-111112.9178.9-174.70000108.9F224 S225 A226 L248 L299 K334F224-V250 HydrophobicContact CD2-CG1 3.72Å; F224-V250 HydrophobicContact CE2-CG1 4.4Å; S225-V250 WeakPolarHBondContact O-CA 3.33Å; A226-V250 HydrophobicContact CB-CG2 4.43Å; L248-V250 HydrophobicContact CD2-CG2 4.11Å; L248-V250 HydrophobicContact CG-CG2 4.09Å; V250-L299 HydrophobicContact CG1-CD2 3.7Å; V250-K334 HydrophobicContact CG2-CG 4.45Å
251Q81.9Confident72.9Confident72 Ų7272 Ų7234%0.33638%0.383SS..EExtended strand (participates in β ladder)trans-105.8128.4179.7-62.5-179.327.100109F224 S225 K249F224-Q251 CarbonylContact C-O 3.53Å; F224-Q251 VanDerWaalsContact CA-O 3.29Å; F224-Q251 WeakPolarHBondContact CA-O 3.36Å; S225-Q251 PolarHBondContact N-O 2.97Å; S225-Q251 PolarHBondContact O-N 3.32Å; K249-Q251 HydrophobicContact CD-CG 4.42Å; K249-Q251 HydrophobicContact CG-CG 4.27Å
252T73.5Confident71.2Confident48 Ų4872.3 Ų72.329%0.29439%0.386SS..EExtended strand (participates in β ladder)trans-107.2119.7174.950.50000106.7F224 G254 R297F224-T252 HydrophobicContact CB-CG2 3.86Å; T252-G254 VanDerWaalsContact C-N 3.26Å; T252-G254 PolarHBondContact O-N 3.45Å; T252-R297 HydrophobicContact CG2-CG 4.43Å; T252-R297 VanDerWaalsContact CG2-CZ 3.48Å
253N69Low69.6Low115 Ų11573.7 Ų73.762%0.61540%0.397SS*.  trans-82.9-5.9-171.4-67-23.3000112.5D223D223-N253 PolarHBondContact O-N 3.29Å; D223-N253 WeakPolarHBondContact OD1-CB 3.43Å
254G55.5Low68.1Low19 Ų1975 Ų7520%0.19640%0.399CS..  trans-126.5137.3-178.500000114.2D223 T252D223-G254 PolarHBondContact OD2-N 3.21Å; D223-G254 VanDerWaalsContact OD2-N 3.15Å; T252-G254 VanDerWaalsContact C-N 3.26Å; T252-G254 PolarHBondContact O-N 3.45Å
255Q50.2Low66.2Low202 Ų20274.8 Ų74.894%0.94441%0.407SS*.  trans-791160-72.7-175.4-17.600112.5E257Q255-E257 PolarHBondContact O-N 2.99Å
256Q48.3Very low64.6Low141 Ų14175.5 Ų75.566%0.65941%0.41SS*.  trans-67.1109.5-179.7-74.5-177.9-8.400108.5F258Q256-F258 VanDerWaalsContact C-N 3.3Å; Q256-F258 WeakPolarHBondContact O-CD2 3.46Å; Q256-F258 PolarHBondContact O-N 3.42Å
257E49.6Very low63.2Low191 Ų19178.8 Ų78.889%0.89343%0.428SS*.  trans-51.2103.3156.8-70.8179.4165.100106.2Q255 G259Q255-E257 PolarHBondContact O-N 2.99Å; E257-G259 VanDerWaalsContact C-N 3.26Å; E257-G259 PolarHBondContact O-N 3.29Å
258F51.8Low62Low24 Ų2484.5 Ų84.511%0.10545%0.453CS..  trans-66.492.6178.8-69-75.3000106.9R188 D223 Q256 D260 I261R188-F258 VanDerWaalsContact NH1-CE1 3.29Å; D223-F258 HydrophobicContact CB-CE1 4.41Å; D223-F258 HydrophobicContact CB-CZ 3.73Å; Q256-F258 VanDerWaalsContact C-N 3.3Å; Q256-F258 WeakPolarHBondContact O-CD2 3.46Å; Q256-F258 PolarHBondContact O-N 3.42Å; F258-D260 PolarHBondContact O-N 3.24Å; F258-I261 HydrophobicContact CB-CB 4.17Å; F258-I261 CarbonylContact O-C 3.52Å; F258-I261 VanDerWaalsContact O-C 3.29Å; F258-I261 PolarHBondContact O-N 2.93Å
259G49.9Very low61.1Low61 Ų6191.2 Ų91.263%0.62949%0.489SS*.THydrogen-bonded Turntrans-54.1-23.6-168.100000115.5E257E257-G259 VanDerWaalsContact C-N 3.26Å; E257-G259 PolarHBondContact O-N 3.29Å
260D55.6Low60.8Low98 Ų9888.4 Ų88.452%0.52448%0.479SS..THydrogen-bonded Turntrans-94.2-18.8176.9-57.7-18.6000113.6K189 F258K189-D260 WeakPolarHBondContact CD-O 3.41Å; F258-D260 PolarHBondContact O-N 3.24Å
261I56.3Low60.9Low6 Ų688.3 Ų88.33%0.03148%0.478CS..SBendtrans-115.468.7-178.4-49.3177.6000107.7K189 L222 F258 N300 A302K189-I261 HydrophobicContact CB-CD1 4.46Å; K189-I261 HydrophobicContact CB-CG1 3.96Å; K189-I261 HydrophobicContact CG-CG1 4.2Å; L222-I261 HydrophobicContact CD2-CD1 3.73Å; F258-I261 HydrophobicContact CB-CB 4.17Å; F258-I261 CarbonylContact O-C 3.52Å; F258-I261 VanDerWaalsContact O-C 3.29Å; F258-I261 PolarHBondContact O-N 2.93Å; I261-N300 HydrophobicContact CG2-CB 4.41Å; I261-A302 HydrophobicContact CG2-CB 4.02Å
262E55.9Low61.3Low138 Ų13885 Ų8565%0.64546%0.462SS*.  trans-61.4147.6178.4-66.2-176.9169.300112E264E262-E264 VanDerWaalsContact C-N 3.27Å; E262-E264 PolarHBondContact O-N 3.2Å
263T56.4Low62Low94 Ų9485.1 Ų85.158%0.57747%0.469SS*.  trans-71.684.7166.8-340000108A265 P298T263-A265 PolarHBondContact O-N 2.92Å; T263-P298 HydrophobicContact CG2-CG 4.48Å
264E57.4Low63.1Low64 Ų6482.4 Ų82.430%0.29946%0.456SS..  trans-61.4105.1175.5-70.9175-148.900109.1K189 E262 Q266K189-E264 IonicContact NZ-OE1 3.75Å; E262-E264 VanDerWaalsContact C-N 3.27Å; E262-E264 PolarHBondContact O-N 3.2Å; E264-Q266 PolarHBondContact O-N 3.28Å
265A50.4Low64.9Low102 Ų10282.4 Ų82.484%0.84345%0.452SS*.  trans-72.189.9172.900000109.1T263T263-A265 PolarHBondContact O-N 2.92Å
266Q55.9Low66.9Low28 Ų2876.1 Ų76.113%0.13143%0.429CS..  trans-78.9133.2169.1-60.8-163-2.900109E264 E268 V271 S340E264-Q266 PolarHBondContact O-N 3.28Å; Q266-E268 PolarHBondContact O-N 3.32Å; Q266-V271 HydrophobicContact CB-CG2 3.97Å; Q266-S340 VanDerWaalsContact CG-O 3.31Å; Q266-S340 WeakPolarHBondContact CG-O 3.5Å; Q266-S340 PolarHBondContact OE1-O 3.43Å
267N60.2Low68.7Low111 Ų11170 Ų7059%0.59440%0.401SS*.  trans-57.4137.8172.6-85.5-18.9000109.9D269 I270N267-D269 PolarHBondContact O-N 3.18Å; N267-I270 HydrophobicContact CB-CD1 3.86Å; N267-I270 HydrophobicContact CB-CG1 4.04Å; N267-I270 WeakPolarHBondContact O-CB 3.46Å; N267-I270 PolarHBondContact O-N 2.98Å
268E62.1Low70.3Confident142 Ų14265.1 Ų65.166%0.66438%0.384SS*.THydrogen-bonded Turntrans-55.9-24.8178.5-68.4-173.7-178.900113.3Q266 I270 R339Q266-E268 PolarHBondContact O-N 3.32Å; E268-I270 VanDerWaalsContact C-N 3.29Å; E268-I270 PolarHBondContact O-N 3.46Å; E268-R339 PolarHBondContact O-NH2 3.45Å
269D71Confident72.1Confident154 Ų15465.1 Ų65.182%0.82439%0.385SS*.THydrogen-bonded Turntrans-73.8-17.5177.9-63.7-30.9000113.6N267N267-D269 PolarHBondContact O-N 3.18Å
270I80.9Confident73.9Confident39 Ų3968.1 Ų68.120%0.239%0.387CS..THydrogen-bonded Turntrans-87.5-34.3-177.7-61.6173.7000110.7N267 E268 I382 L386N267-I270 HydrophobicContact CB-CD1 3.86Å; N267-I270 HydrophobicContact CB-CG1 4.04Å; N267-I270 WeakPolarHBondContact O-CB 3.46Å; N267-I270 PolarHBondContact O-N 2.98Å; E268-I270 VanDerWaalsContact C-N 3.29Å; E268-I270 PolarHBondContact O-N 3.46Å; I270-I382 HydrophobicContact CG2-CG2 3.84Å; I270-I382 VanDerWaalsContact O-CD1 3.28Å; I270-I382 WeakPolarHBondContact O-CD1 3.41Å; I270-L386 HydrophobicContact CD1-CD1 4.09Å; I270-L386 HydrophobicContact CG2-CB 4.39Å; I270-L386 HydrophobicContact CG2-CD1 3.94Å
271V87.8Confident75.5Confident5 Ų565 Ų653%0.0337%0.372CS..SBendtrans-91.9139.9-171.4-178.10000109.7Q266 A273 R339 Q345Q266-V271 HydrophobicContact CB-CG2 3.97Å; V271-A273 PolarHBondContact O-N 3.41Å; V271-R339 HydrophobicContact CB-CB 4.4Å; V271-R339 HydrophobicContact CG1-CB 3.92Å; V271-R339 WeakPolarHBondContact CG2-O 3.46Å; V271-R339 PolarHBondContact O-NH2 3.1Å; V271-Q345 HydrophobicContact CG1-CB 3.55Å; V271-Q345 HydrophobicContact CG1-CG 3.67Å
272P89Confident77Confident2 Ų266.7 Ų66.71%0.01338%0.38CS..PPolyproline II helixtrans-52.4130.3-178-30.137.4000113.7R339 W342 Q345 T346 L349P272-R339 PolarHBondContact O-NE 3.36Å; P272-W342 HydrophobicContact CG-CG 4.48Å; P272-Q345 HydrophobicContact CB-CG 4.01Å; P272-Q345 HydrophobicContact CG-CG 4.29Å; P272-Q345 PolarHBondContact O-NE2 3.41Å; P272-T346 WeakPolarHBondContact CG-OG1 3.48Å; P272-L349 HydrophobicContact CB-CD1 3.79Å
273A89.7Confident78.5Confident52 Ų5262.4 Ų62.443%0.4336%0.362SS..PPolyproline II helixtrans-72.1152.2174.300000111.7V271 Q369V271-A273 PolarHBondContact O-N 3.41Å; A273-Q369 PolarHBondContact O-NE2 3.03Å; A273-Q369 VanDerWaalsContact O-NE2 3.14Å
274T92.3Very high79.7Confident58 Ų5861.5 Ų61.536%0.35635%0.351SS..PPolyproline II helixtrans-89.3130.1172.9-179.50000110.1R352T274-R352 PolarHBondContact OG1-NH1 3.14Å; T274-R352 VanDerWaalsContact OG1-NH1 3.14Å; T274-R352 PolarHBondContact OG1-NH2 3.14Å
275V92.9Very high80.9Confident18 Ų1864 Ų6411%0.10936%0.362CS..PPolyproline II helixtrans-72.6129.5168.6179.60000108.5R365 K368 Q369 D372V275-R365 HydrophobicContact CB-CG 4.24Å; V275-R365 HydrophobicContact CG1-CG 4.24Å; V275-R365 WeakPolarHBondContact O-CD 3.5Å; V275-K368 HydrophobicContact CG1-CB 3.94Å; V275-K368 HydrophobicContact CG1-CD 4.21Å; V275-K368 HydrophobicContact CG2-CB 4.28Å; V275-Q369 HydrophobicContact CB-CB 4.31Å; V275-Q369 HydrophobicContact CG2-CB 4.04Å; V275-D372 WeakPolarHBondContact CG2-OD2 3.41Å
276P91Very high82.5Confident71 Ų7161.4 Ų61.446%0.46134%0.336SS..PPolyproline II helixtrans-70.9151.3175.528.2-33.2000111.8T278 E284P276-T278 VanDerWaalsContact C-N 3.33Å; P276-T278 HydrophobicContact CB-CG2 4.38Å; P276-T278 HydrophobicContact CG-CG2 4.13Å; P276-T278 PolarHBondContact O-N 2.9Å; P276-E284 WeakPolarHBondContact CA-OE2 3.31Å
277L86.1Confident83.9Confident12 Ų1262.8 Ų62.86%0.06335%0.348CS..  trans-66.2-26-178.2-175.553.7000113.9D279 L282 E284 R361 M362 R365L277-D279 HydrophobicContact CG-CB 4.06Å; L277-D279 PolarHBondContact O-N 3.21Å; L277-L282 HydrophobicContact CD2-CB 3.94Å; L277-L282 HydrophobicContact CD2-CD1 4.47Å; L277-E284 WeakPolarHBondContact CA-OE2 3.38Å; L277-E284 WeakPolarHBondContact CB-OE2 3.14Å; L277-E284 VanDerWaalsContact N-CD 3.31Å; L277-E284 PolarHBondContact N-OE1 2.9Å; L277-E284 PolarHBondContact N-OE2 3.49Å; L277-R361 WeakPolarHBondContact CD1-O 3.25Å; L277-M362 HydrophobicContact CD1-CB 4.13Å; L277-M362 HydrophobicContact CD1-CG 3.62Å; L277-R365 HydrophobicContact CD1-CB 4.34Å
278T84.4Confident85.1Confident88 Ų8859.5 Ų59.554%0.5433%0.33SS..  trans41.128.5177.459.80000116P276P276-T278 VanDerWaalsContact C-N 3.33Å; P276-T278 HydrophobicContact CB-CG2 4.38Å; P276-T278 HydrophobicContact CG-CG2 4.13Å; P276-T278 PolarHBondContact O-N 2.9Å
279D89.1Confident86.1Confident25 Ų2555.4 Ų55.413%0.13432%0.318CS..  trans-89.3144.2179.1-177.285.8000110.2R237 L277 T281 L282 R361R237-D279 PolarHBondContact NH1-O 3.03Å; R237-D279 VanDerWaalsContact NH1-O 3.13Å; R237-D279 PolarHBondContact NH2-O 3.22Å; L277-D279 HydrophobicContact CG-CB 4.06Å; L277-D279 PolarHBondContact O-N 3.21Å; D279-T281 VanDerWaalsContact C-N 3.29Å; D279-T281 PolarHBondContact O-N 3.34Å; D279-T281 WeakPolarHBondContact OD2-CA 3.43Å; D279-T281 VanDerWaalsContact OD2-CB 3.31Å; D279-T281 WeakPolarHBondContact OD2-CB 3.42Å; D279-T281 PolarHBondContact OD2-N 2.98Å; D279-L282 HydrophobicContact CB-CB 4.26Å; D279-L282 PolarHBondContact OD2-N 2.99Å; D279-R361 IonicContact OD1-NH1 2.85Å; D279-R361 PolarHBondContact OD1-NH1 3.31Å; D279-R361 IonicContact OD2-NH1 3.41Å; D279-R361 PolarHBondContact OD2-NH1 2.88Å
280D87.2Confident86.4Confident123 Ų12354.5 Ų54.566%0.65831%0.308SS*.SBendtrans-77.6-15.3-177.2-67.8-32.4000113.5F238F238-D280 WeakPolarHBondContact CE2-O 3.31Å
281T89.6Confident85.3Confident34 Ų3463.3 Ų63.321%0.20934%0.339CS..SBendtrans-112.5-51-174.5-49.60000112T236 R237 F238 D279 R361T236-T281 CarbonylContact C-O 3.53Å; T236-T281 WeakPolarHBondContact CA-O 3.47Å; T236-T281 VanDerWaalsContact CB-O 3.23Å; T236-T281 WeakPolarHBondContact CB-O 3.16Å; T236-T281 HydrophobicContact CG2-CG2 4.22Å; R237-T281 PolarHBondContact N-O 3.4Å; F238-T281 HydrophobicContact CD2-CG2 4.08Å; F238-T281 HydrophobicContact CE2-CG2 4.28Å; D279-T281 VanDerWaalsContact C-N 3.29Å; D279-T281 PolarHBondContact O-N 3.34Å; D279-T281 WeakPolarHBondContact OD2-CA 3.43Å; D279-T281 VanDerWaalsContact OD2-CB 3.31Å; D279-T281 WeakPolarHBondContact OD2-CB 3.42Å; D279-T281 PolarHBondContact OD2-N 2.98Å; T281-R361 PolarHBondContact OG1-NH1 3.45Å
282L89Confident83.8Confident40 Ų4068 Ų6821%0.20936%0.364CS..EExtended strand (participates in β ladder)trans-77.7142-179.5-63.7177.4000110.4T236 L277 D279 R361T236-L282 HydrophobicContact CG2-CD2 4.09Å; L277-L282 HydrophobicContact CD2-CB 3.94Å; L277-L282 HydrophobicContact CD2-CD1 4.47Å; D279-L282 HydrophobicContact CB-CB 4.26Å; D279-L282 PolarHBondContact OD2-N 2.99Å; L282-R361 HydrophobicContact CD1-CB 3.73Å; L282-R361 HydrophobicContact CD1-CG 4.4Å
283L85.5Confident81.9Confident48 Ų4874.9 Ų74.925%0.25140%0.401SS..EExtended strand (participates in β ladder)trans-78.3152.3169.1-64.7168.4000109.9R234 R235 R237 Q285 C287R234-L283 HydrophobicContact CB-CD1 4.45Å; R234-L283 WeakPolarHBondContact O-CD1 3.48Å; R235-L283 PolarHBondContact O-N 2.95Å; R237-L283 HydrophobicContact CG-CD2 3.56Å; R237-L283 HydrophobicContact CG-CG 4.29Å; L283-Q285 VanDerWaalsContact C-N 3.29Å; L283-Q285 WeakPolarHBondContact CB-O 3.41Å; L283-Q285 PolarHBondContact O-N 3.37Å; L283-C287 HydrophobicContact CD1-CB 3.82Å
284E83.3Confident80.1Confident75 Ų7575 Ų7535%0.3540%0.399SS..EExtended strand (participates in β ladder)trans-57.8-46.5174.3-172.863.4-139.600111.4P276 L277 R365P276-E284 WeakPolarHBondContact CA-OE2 3.31Å; L277-E284 WeakPolarHBondContact CA-OE2 3.38Å; L277-E284 WeakPolarHBondContact CB-OE2 3.14Å; L277-E284 VanDerWaalsContact N-CD 3.31Å; L277-E284 PolarHBondContact N-OE1 2.9Å; L277-E284 PolarHBondContact N-OE2 3.49Å; E284-R365 IonicContact OE1-NH1 3.16Å; E284-R365 PolarHBondContact OE1-NH1 2.89Å
285Q82Confident78.4Confident116 Ų11680.4 Ų80.454%0.54243%0.425SS..EExtended strand (participates in β ladder)trans-131151.8176.4-70.1-179.6-20.800108.3L283 C287L283-Q285 VanDerWaalsContact C-N 3.29Å; L283-Q285 WeakPolarHBondContact CB-O 3.41Å; L283-Q285 PolarHBondContact O-N 3.37Å; Q285-C287 PolarHBondContact O-N 3.45Å
286V84Confident77.2Confident49 Ų4982.4 Ų82.430%0.29743%0.434SS..EExtended strand (participates in β ladder)trans-60.7124.5174.9-178.30000109.3R234 R235 Q245 L288R234-V286 WeakPolarHBondContact O-CA 3.47Å; R234-V286 WeakPolarHBondContact O-CG1 3.23Å; R235-V286 HydrophobicContact CG-CG2 4.21Å; Q245-V286 HydrophobicContact CB-CG1 3.8Å; Q245-V286 HydrophobicContact CG-CG1 3.49Å; Q245-V286 VanDerWaalsContact CG-CG1 3.49Å; V286-L288 HydrophobicContact CG1-CD2 3.83Å; V286-L288 PolarHBondContact O-N 3.43Å
287C85.2Confident76.7Confident57 Ų5782.5 Ų82.539%0.38543%0.425SS..EExtended strand (participates in β ladder)trans-82.7103.6175.4-178.30000108.8G233 R234 L283 Q285G233-C287 CarbonylContact C-O 3.56Å; G233-C287 WeakPolarHBondContact CA-O 3.42Å; R234-C287 PolarHBondContact N-O 2.9Å; R234-C287 PolarHBondContact O-N 3.19Å; L283-C287 HydrophobicContact CD1-CB 3.82Å; Q285-C287 PolarHBondContact O-N 3.45Å
288L86.1Confident76.4Confident41 Ų4185.7 Ų85.722%0.21545%0.446CS..EExtended strand (participates in β ladder)trans-79.8143.7178.3-56.6177000111V231 Q245 V247 V286V231-L288 HydrophobicContact CB-CD2 4.28Å; V231-L288 HydrophobicContact CG1-CB 4.42Å; V231-L288 HydrophobicContact CG1-CD2 4.33Å; Q245-L288 HydrophobicContact CB-CD2 4.19Å; V247-L288 HydrophobicContact CG1-CD1 4.34Å; V247-L288 HydrophobicContact CG2-CD1 3.69Å; V247-L288 HydrophobicContact CG2-CD2 3.73Å; V247-L288 HydrophobicContact CG2-CG 4.38Å; V286-L288 HydrophobicContact CG1-CD2 3.83Å; V286-L288 PolarHBondContact O-N 3.43Å
289S83Confident76.5Confident57 Ų5781.7 Ų81.740%0.39942%0.421SS..SBendtrans-71.1-37.4177.556.80000112.1L232 D242L232-S289 VanDerWaalsContact CB-OG 3.32Å; L232-S289 WeakPolarHBondContact CB-OG 3.47Å; L232-S289 WeakPolarHBondContact O-CB 3.12Å; L232-S289 PolarHBondContact O-N 3.2Å; L232-S289 PolarHBondContact O-OG 3.47Å; D242-S289 WeakPolarHBondContact OD2-CB 3.4Å
290E75.7Confident76.4Confident134 Ų13480.7 Ų80.763%0.62642%0.416SS*.SBendtrans-84.6123.2171-64.3-179.7-17600108.8V231 N292V231-E290 HydrophobicContact CG1-CB 4.24Å; V231-E290 HydrophobicContact CG1-CG 4.45Å; E290-N292 PolarHBondContact O-N 2.83Å
291R58.4Low76.5Confident224 Ų22475.2 Ų75.285%0.84539%0.388SS*.  trans-67.7124.7166.4-74.4-173.7178.5-175.1-0.7107.2N293R291-N293 PolarHBondContact O-N 3.11Å
292N56.4Low76.5Confident105 Ų10573.6 Ų73.656%0.56138%0.378SS*.  trans-58.185.4169.2-81.1-13.6000109E290 S294E290-N292 PolarHBondContact O-N 2.83Å; N292-S294 PolarHBondContact O-N 2.64Å
293N48.6Very low76.7Confident146 Ų14671.7 Ų71.778%0.78137%0.368SS*.  trans-74.94.3168.6-77.5-13.8000111.2R291 N295R291-N293 PolarHBondContact O-N 3.11Å; N293-N295 PolarHBondContact O-N 3.08Å; N293-N295 VanDerWaalsContact O-N 3.08Å
294S52.7Low77Confident55 Ų5569.4 Ų69.439%0.38536%0.356SS..  trans-71.1104.7174.259.30000108N292 E296N292-S294 PolarHBondContact O-N 2.64Å; S294-E296 PolarHBondContact O-N 3.09Å
295N56.3Low77.6Confident171 Ų17165.9 Ų65.991%0.91434%0.339SS*.  trans-62.857.6161-73.6-19.5000109.5N293 R297N293-N295 PolarHBondContact O-N 3.08Å; N293-N295 VanDerWaalsContact O-N 3.08Å; N295-R297 PolarHBondContact O-N 3.22Å
296E68.3Low78.2Confident60 Ų6060.3 Ų60.328%0.2831%0.314SS..PPolyproline II helixtrans-66.8124.4173.3-71.7-175.7175.200107.3S294 K334S294-E296 PolarHBondContact O-N 3.09Å; E296-K334 IonicContact OE2-NZ 3.54Å; E296-K334 PolarHBondContact OE2-NZ 3.41Å
297R79.5Confident78.7Confident73 Ų7358 Ų5828%0.27530%0.3SS..PPolyproline II helixtrans-60.4148.517368.1169.2179.983-6.5110.1T252 N295 E303T252-R297 HydrophobicContact CG2-CG 4.43Å; T252-R297 VanDerWaalsContact CG2-CZ 3.48Å; N295-R297 PolarHBondContact O-N 3.22Å; R297-E303 IonicContact CZ-OE1 3.27Å; R297-E303 IonicContact CZ-OE2 3.32Å; R297-E303 IonicContact NH1-OE1 2.86Å; R297-E303 PolarHBondContact NH1-OE1 3.46Å; R297-E303 IonicContact NH1-OE2 2.62Å; R297-E303 PolarHBondContact NH1-OE2 3.49Å; R297-E303 IonicContact NH2-OE1 2.8Å; R297-E303 PolarHBondContact NH2-OE1 3.23Å; R297-E303 IonicContact NH2-OE2 3.34Å
298P80.7Confident79.2Confident78 Ų7855.5 Ų55.551%0.50628%0.282SS..PPolyproline II helixtrans-59.5147.8169.926.5-33.8000110.3T263T263-P298 HydrophobicContact CG2-CG 4.48Å
299L85.9Confident79.6Confident4 Ų453.6 Ų53.62%0.02127%0.272CS..PPolyproline II helixtrans-81138.8175.4-55.9171000109F224 V250 E303 Q304 L307 K334F224-L299 HydrophobicContact CD2-CD2 4.49Å; V250-L299 HydrophobicContact CG1-CD2 3.7Å; L299-E303 WeakPolarHBondContact CA-OE2 3.3Å; L299-E303 HydrophobicContact CB-CB 3.91Å; L299-E303 HydrophobicContact CD2-CB 4.28Å; L299-Q304 HydrophobicContact CB-CG 4.04Å; L299-Q304 PolarHBondContact O-NE2 3.28Å; L299-L307 HydrophobicContact CD1-CD1 3.49Å; L299-L307 VanDerWaalsContact CD1-CD1 3.49Å; L299-K334 HydrophobicContact CD1-CG 4.07Å
300N87.1Confident80.1Confident4 Ų451.4 Ų51.42%0.02126%0.259CS..PPolyproline II helixtrans-73.2168.9171.565.351.3000110.8I261 A302 E303 Q304I261-N300 HydrophobicContact CG2-CB 4.41Å; N300-A302 VanDerWaalsContact C-N 3.27Å; N300-A302 PolarHBondContact O-N 3.03Å; N300-A302 WeakPolarHBondContact OD1-CB 3.5Å; N300-A302 PolarHBondContact OD1-N 2.98Å; N300-A302 VanDerWaalsContact OD1-N 3.1Å; N300-E303 PolarHBondContact N-OE2 3.35Å; N300-E303 PolarHBondContact ND2-OE1 3.23Å; N300-E303 PolarHBondContact ND2-OE2 3.25Å; N300-E303 PolarHBondContact O-N 3.31Å; N300-E303 WeakPolarHBondContact OD1-CG 3.3Å; N300-E303 PolarHBondContact OD1-N 3.14Å; N300-Q304 WeakPolarHBondContact O-CG 3.46Å; N300-Q304 PolarHBondContact O-N 3.41Å
301A88.9Confident80.9Confident8 Ų845 Ų457%0.06623%0.229CC..Hα-helixtrans-61-32.8-176.700000113.6Q304 C305 N341 Y390A301-Q304 PolarHBondContact O-N 3.01Å; A301-C305 PolarHBondContact O-N 3.16Å; A301-C305 PolarHBondContact O-SG 3.01Å; A301-N341 HydrophobicContact CB-CB 3.77Å; A301-Y390 HydrophobicContact CB-CD1 4.4Å; A301-Y390 HydrophobicContact CB-CD2 3.87Å; A301-Y390 HydrophobicContact CB-CE1 4.09Å; A301-Y390 HydrophobicContact CB-CE2 3.54Å; A301-Y390 HydrophobicContact CB-CG 4.32Å
302A90.8Very high82.5Confident1 Ų134.7 Ų34.71%0.00819%0.191CC..Hα-helixtrans-69.7-42.8177.900000111.6V192 L193 I196 L222 I261 N300 Q304 C305 A306 Y390V192-A302 HydrophobicContact CG1-CB 4.41Å; L193-A302 HydrophobicContact CD2-CB 4.46Å; I196-A302 WeakPolarHBondContact CD1-O 3.38Å; L222-A302 HydrophobicContact CD2-CB 4.19Å; I261-A302 HydrophobicContact CG2-CB 4.02Å; N300-A302 VanDerWaalsContact C-N 3.27Å; N300-A302 PolarHBondContact O-N 3.03Å; N300-A302 WeakPolarHBondContact OD1-CB 3.5Å; N300-A302 PolarHBondContact OD1-N 2.98Å; N300-A302 VanDerWaalsContact OD1-N 3.1Å; A302-Q304 VanDerWaalsContact C-N 3.33Å; A302-Q304 PolarHBondContact O-N 3.1Å; A302-C305 PolarHBondContact O-N 3.23Å; A302-A306 PolarHBondContact O-N 2.65Å; A302-Y390 HydrophobicContact CB-CE1 4.17Å
303E91.9Very high84.2Confident0 Ų031.6 Ų31.60%017%0.173CC..Hα-helixtrans-60.9-41.1173.5-70.5166.4167.300111.3L222 F224 R297 L299 N300 A306 L307L222-E303 HydrophobicContact CB-CG 4.36Å; L222-E303 HydrophobicContact CD1-CG 4.13Å; L222-E303 HydrophobicContact CD2-CG 4.22Å; L222-E303 HydrophobicContact CG-CG 4.49Å; F224-E303 HydrophobicContact CD1-CG 3.97Å; F224-E303 HydrophobicContact CE1-CB 4.17Å; F224-E303 HydrophobicContact CE1-CG 3.89Å; F224-E303 HydrophobicContact CE2-CB 4.35Å; F224-E303 HydrophobicContact CG-CG 4.35Å; F224-E303 HydrophobicContact CZ-CB 4Å; F224-E303 HydrophobicContact CZ-CG 4.21Å; R297-E303 IonicContact CZ-OE1 3.27Å; R297-E303 IonicContact CZ-OE2 3.32Å; R297-E303 IonicContact NH1-OE1 2.86Å; R297-E303 PolarHBondContact NH1-OE1 3.46Å; R297-E303 IonicContact NH1-OE2 2.62Å; R297-E303 PolarHBondContact NH1-OE2 3.49Å; R297-E303 IonicContact NH2-OE1 2.8Å; R297-E303 PolarHBondContact NH2-OE1 3.23Å; R297-E303 IonicContact NH2-OE2 3.34Å; L299-E303 WeakPolarHBondContact CA-OE2 3.3Å; L299-E303 HydrophobicContact CB-CB 3.91Å; L299-E303 HydrophobicContact CD2-CB 4.28Å; N300-E303 PolarHBondContact N-OE2 3.35Å; N300-E303 PolarHBondContact ND2-OE1 3.23Å; N300-E303 PolarHBondContact ND2-OE2 3.25Å; N300-E303 PolarHBondContact O-N 3.31Å; N300-E303 WeakPolarHBondContact OD1-CG 3.3Å; N300-E303 PolarHBondContact OD1-N 3.14Å; E303-A306 WeakPolarHBondContact O-CB 3.28Å; E303-A306 PolarHBondContact O-N 3.47Å; E303-L307 WeakPolarHBondContact O-CG 3.48Å; E303-L307 PolarHBondContact O-N 2.8Å
304Q92.4Very high86.1Confident0 Ų025.7 Ų25.70%014%0.144CC..Hα-helixtrans-64.1-41.8174.4-68.9-174.62.400112.3L299 N300 A301 A302 A306 L307 L308 V335 Q338 S340 A344L299-Q304 HydrophobicContact CB-CG 4.04Å; L299-Q304 PolarHBondContact O-NE2 3.28Å; N300-Q304 WeakPolarHBondContact O-CG 3.46Å; N300-Q304 PolarHBondContact O-N 3.41Å; A301-Q304 PolarHBondContact O-N 3.01Å; A302-Q304 VanDerWaalsContact C-N 3.33Å; A302-Q304 PolarHBondContact O-N 3.1Å; Q304-A306 VanDerWaalsContact C-N 3.31Å; Q304-A306 PolarHBondContact O-N 3.22Å; Q304-L307 PolarHBondContact O-N 3.4Å; Q304-L308 WeakPolarHBondContact O-CG 3.38Å; Q304-L308 PolarHBondContact O-N 3.13Å; Q304-V335 HydrophobicContact CB-CG1 4.13Å; Q304-V335 HydrophobicContact CB-CG2 4.03Å; Q304-V335 HydrophobicContact CG-CG1 4.37Å; Q304-V335 HydrophobicContact CG-CG2 4.21Å; Q304-Q338 VanDerWaalsContact NE2-CB 3.34Å; Q304-Q338 VanDerWaalsContact NE2-OE1 3.15Å; Q304-S340 VanDerWaalsContact NE2-CB 3.34Å; Q304-S340 PolarHBondContact NE2-OG 3.13Å; Q304-S340 VanDerWaalsContact NE2-OG 3.08Å; Q304-S340 PolarHBondContact OE1-OG 2.74Å; Q304-A344 HydrophobicContact CB-CB 4.38Å
305C94.9Very high87.7Confident0 Ų027.4 Ų27.40%014%0.142CC..Hα-helixtrans-64-36.5174-65.80000112I196 A301 A302 L308 A309 A393I196-C305 HydrophobicContact CD1-CB 4Å; I196-C305 HydrophobicContact CG2-CB 4.06Å; A301-C305 PolarHBondContact O-N 3.16Å; A301-C305 PolarHBondContact O-SG 3.01Å; A302-C305 PolarHBondContact O-N 3.23Å; C305-L308 PolarHBondContact O-N 3.19Å; C305-A309 PolarHBondContact O-N 3Å; C305-A393 HydrophobicContact CB-CB 4.19Å
306A95.1Very high89.1Confident0 Ų023.9 Ų23.90%012%0.116CC..Hα-helixtrans-65.3-39.2174.400000112.1I196 M219 L222 F224 A302 E303 Q304 L308 A309 G310I196-A306 HydrophobicContact CD1-CB 3.99Å; I196-A306 HydrophobicContact CG1-CB 4.2Å; M219-A306 HydrophobicContact SD-CB 3.8Å; L222-A306 HydrophobicContact CD1-CB 3.91Å; F224-A306 HydrophobicContact CE1-CB 4.17Å; F224-A306 HydrophobicContact CZ-CB 3.99Å; A302-A306 PolarHBondContact O-N 2.65Å; E303-A306 WeakPolarHBondContact O-CB 3.28Å; E303-A306 PolarHBondContact O-N 3.47Å; Q304-A306 VanDerWaalsContact C-N 3.31Å; Q304-A306 PolarHBondContact O-N 3.22Å; A306-L308 VanDerWaalsContact C-N 3.35Å; A306-L308 PolarHBondContact O-N 3.08Å; A306-A309 PolarHBondContact O-N 2.89Å; A306-G310 PolarHBondContact O-N 2.99Å
307L94.6Very high89.8Confident1 Ų122.7 Ų22.71%0.00511%0.114CC..Hα-helixtrans-61.3-41.7171.1-68.2-176.8000111.8F224 A226 L299 E303 Q304 G310 V311 Y331 K334 V335F224-L307 HydrophobicContact CE2-CD2 3.89Å; F224-L307 HydrophobicContact CE2-CG 4.21Å; F224-L307 HydrophobicContact CZ-CD2 4.36Å; F224-L307 HydrophobicContact CZ-CG 4.48Å; A226-L307 HydrophobicContact CB-CD2 3.75Å; L299-L307 HydrophobicContact CD1-CD1 3.49Å; L299-L307 VanDerWaalsContact CD1-CD1 3.49Å; E303-L307 WeakPolarHBondContact O-CG 3.48Å; E303-L307 PolarHBondContact O-N 2.8Å; Q304-L307 PolarHBondContact O-N 3.4Å; L307-G310 WeakPolarHBondContact O-CA 3.04Å; L307-G310 PolarHBondContact O-N 3.11Å; L307-G310 VanDerWaalsContact O-N 3.16Å; L307-V311 WeakPolarHBondContact O-CG2 3.31Å; L307-V311 PolarHBondContact O-N 3.44Å; L307-Y331 HydrophobicContact CB-CD1 4.26Å; L307-Y331 HydrophobicContact CD2-CD1 3.59Å; L307-Y331 HydrophobicContact CD2-CE1 3.93Å; L307-Y331 HydrophobicContact CG-CD1 4.47Å; L307-K334 HydrophobicContact CD1-CB 4.44Å; L307-K334 HydrophobicContact CD1-CG 4.29Å; L307-V335 HydrophobicContact CB-CG2 4.02Å; L307-V335 HydrophobicContact CD1-CG2 4.05Å
308L95.7Very high89.6Confident3 Ų319.9 Ų19.92%0.01611%0.108CC..Hα-helixtrans-65.1-37.4175.6-67.1175.8000112.9Q304 C305 A306 G310 V311 T312 L332 V335 A344 A347 A348Q304-L308 WeakPolarHBondContact O-CG 3.38Å; Q304-L308 PolarHBondContact O-N 3.13Å; C305-L308 PolarHBondContact O-N 3.19Å; A306-L308 VanDerWaalsContact C-N 3.35Å; A306-L308 PolarHBondContact O-N 3.08Å; L308-G310 VanDerWaalsContact C-N 3.32Å; L308-V311 WeakPolarHBondContact O-CB 3.49Å; L308-V311 PolarHBondContact O-N 2.9Å; L308-T312 PolarHBondContact O-N 3.09Å; L308-T312 PolarHBondContact O-OG1 2.92Å; L308-L332 HydrophobicContact CD2-CD2 3.67Å; L308-V335 HydrophobicContact CG-CG2 4.48Å; L308-A344 HydrophobicContact CD1-CB 4.14Å; L308-A344 WeakPolarHBondContact CD1-O 3.42Å; L308-A347 HydrophobicContact CD1-CB 4.08Å; L308-A348 HydrophobicContact CD2-CB 3.82Å
309A95.6Very high89.1Confident1 Ų118.1 Ų18.11%0.00810%0.097CC..Hα-helixtrans-62.9-40.5170.800000111.2I196 V199 L215 C305 A306 V311 T312 F313I196-A309 HydrophobicContact CG2-CB 4.02Å; V199-A309 HydrophobicContact CB-CB 4.05Å; V199-A309 HydrophobicContact CG1-CB 3.98Å; V199-A309 HydrophobicContact CG2-CB 4.42Å; L215-A309 HydrophobicContact CD1-CB 4.22Å; C305-A309 PolarHBondContact O-N 3Å; A306-A309 PolarHBondContact O-N 2.89Å; A309-V311 PolarHBondContact O-N 3.47Å; A309-T312 WeakPolarHBondContact O-CB 3.41Å; A309-T312 PolarHBondContact O-N 3.47Å; A309-F313 WeakPolarHBondContact O-CB 3.19Å; A309-F313 PolarHBondContact O-N 3.26Å
310G93.3Very high88.4Confident11 Ų1123.3 Ų23.311%0.11314%0.14CC..Hα-helixtrans-58.9-43.8171.800000113.2A306 L307 L308 T312 F313 A314A306-G310 PolarHBondContact O-N 2.99Å; L307-G310 WeakPolarHBondContact O-CA 3.04Å; L307-G310 PolarHBondContact O-N 3.11Å; L307-G310 VanDerWaalsContact O-N 3.16Å; L308-G310 VanDerWaalsContact C-N 3.32Å; G310-T312 VanDerWaalsContact C-N 3.32Å; G310-T312 PolarHBondContact O-N 3.5Å; G310-F313 PolarHBondContact O-N 3.13Å; G310-A314 WeakPolarHBondContact O-CB 3.47Å; G310-A314 PolarHBondContact O-N 2.94Å
311V92.3Very high87.9Confident1 Ų125.9 Ų25.91%0.00616%0.156CC..Hα-helixtrans-59.8-44.5173.3173.30000111L307 L308 A309 R315 Y328 Y331 L332L307-V311 WeakPolarHBondContact O-CG2 3.31Å; L307-V311 PolarHBondContact O-N 3.44Å; L308-V311 WeakPolarHBondContact O-CB 3.49Å; L308-V311 PolarHBondContact O-N 2.9Å; A309-V311 PolarHBondContact O-N 3.47Å; V311-R315 VanDerWaalsContact O-CB 3.26Å; V311-R315 WeakPolarHBondContact O-CB 3.47Å; V311-R315 PolarHBondContact O-N 2.87Å; V311-Y328 HydrophobicContact CG1-CD2 3.69Å; V311-Y328 HydrophobicContact CG1-CE2 4.42Å; V311-Y328 HydrophobicContact CG1-CG 4.15Å; V311-Y331 VanDerWaalsContact CG2-CB 3.45Å; V311-Y331 HydrophobicContact CG2-CG 4.28Å; V311-L332 HydrophobicContact CB-CD2 4.45Å; V311-L332 HydrophobicContact CG1-CD1 4.36Å; V311-L332 HydrophobicContact CG1-CD2 4.1Å; V311-L332 HydrophobicContact CG1-CG 4.19Å; V311-L332 HydrophobicContact CG2-CD2 3.97Å; V311-L332 HydrophobicContact CG2-CG 3.98Å
312T91.6Very high87.3Confident7 Ų730 Ų304%0.04318%0.184CC..Hα-helixtrans-64.3-44.1179-65.40000111.5E200 C203 L308 A309 G310 R316E200-T312 HydrophobicContact CB-CG2 4.36Å; E200-T312 HydrophobicContact CG-CG2 3.94Å; C203-T312 HydrophobicContact CB-CG2 4.42Å; L308-T312 PolarHBondContact O-N 3.09Å; L308-T312 PolarHBondContact O-OG1 2.92Å; A309-T312 WeakPolarHBondContact O-CB 3.41Å; A309-T312 PolarHBondContact O-N 3.47Å; G310-T312 VanDerWaalsContact C-N 3.32Å; G310-T312 PolarHBondContact O-N 3.5Å; T312-R316 HydrophobicContact CG2-CG 4.39Å; T312-R316 VanDerWaalsContact O-CB 3.31Å; T312-R316 WeakPolarHBondContact O-CB 3.28Å; T312-R316 WeakPolarHBondContact O-CG 3.44Å; T312-R316 PolarHBondContact O-N 3.37Å
313F92.6Very high86.8Confident40 Ų4035.7 Ų35.718%0.17521%0.209CC..Hα-helixtrans-59.5-57.7175.3176.5-105.7000110.8V199 F208 A211 R212 L215 A309 G310 R315 R316 S317V199-F313 HydrophobicContact CG1-CB 4.14Å; F208-F313 WeakPolarHBondContact O-CE2 3.1Å; A211-F313 HydrophobicContact CB-CD2 3.79Å; A211-F313 HydrophobicContact CB-CE2 4.08Å; R212-F313 HydrophobicContact CB-CE2 3.93Å; R212-F313 HydrophobicContact CB-CZ 3.75Å; R212-F313 HydrophobicContact CG-CZ 4.16Å; L215-F313 HydrophobicContact CD2-CB 4.06Å; L215-F313 HydrophobicContact CD2-CD1 3.93Å; L215-F313 HydrophobicContact CD2-CG 4.1Å; A309-F313 WeakPolarHBondContact O-CB 3.19Å; A309-F313 PolarHBondContact O-N 3.26Å; G310-F313 PolarHBondContact O-N 3.13Å; F313-R315 VanDerWaalsContact C-N 3.32Å; F313-R315 PolarHBondContact O-N 2.92Å; F313-R316 PolarHBondContact O-N 3.23Å; F313-S317 WeakPolarHBondContact O-CB 3.46Å; F313-S317 PolarHBondContact O-N 3.09Å; F313-S317 PolarHBondContact O-OG 3.23Å
314A88.5Confident86.4Confident22 Ų2236.8 Ų36.818%0.18222%0.215CC..Hα-helixtrans-52.2-49179.900000112G310 R316 G318 L324G310-A314 WeakPolarHBondContact O-CB 3.47Å; G310-A314 PolarHBondContact O-N 2.94Å; A314-R316 PolarHBondContact O-N 3.44Å; A314-G318 PolarHBondContact O-N 2.91Å; A314-G318 VanDerWaalsContact O-N 3.09Å; A314-L324 HydrophobicContact CB-CD1 4.23Å; A314-L324 WeakPolarHBondContact O-CD2 3.39Å
315R85.6Confident86.1Confident90 Ų9039 Ų3934%0.3422%0.224SC..Hα-helixtrans-62.7-27.3179.7-172.3-178.867.7146.7-4.4113.7V311 F313 Y328V311-R315 VanDerWaalsContact O-CB 3.26Å; V311-R315 WeakPolarHBondContact O-CB 3.47Å; V311-R315 PolarHBondContact O-N 2.87Å; F313-R315 VanDerWaalsContact C-N 3.32Å; F313-R315 PolarHBondContact O-N 2.92Å; R315-Y328 HydrophobicContact CB-CE1 4.4Å
316R86.1Confident85.8Confident98 Ų9840.9 Ų40.937%0.3723%0.233SC..Hα-helixtrans-100.5-30.8-172.9-66.8-74.8-165.2-176.13.2113.1C203 F208 T312 F313 A314C203-R316 HydrophobicContact CB-CB 4.1Å; C203-R316 HydrophobicContact CB-CG 4.19Å; F208-R316 HydrophobicContact CE1-CB 3.89Å; F208-R316 WeakPolarHBondContact CE1-O 3.45Å; F208-R316 WeakPolarHBondContact CZ-O 3.49Å; T312-R316 HydrophobicContact CG2-CG 4.39Å; T312-R316 VanDerWaalsContact O-CB 3.31Å; T312-R316 WeakPolarHBondContact O-CB 3.28Å; T312-R316 WeakPolarHBondContact O-CG 3.44Å; T312-R316 PolarHBondContact O-N 3.37Å; F313-R316 PolarHBondContact O-N 3.23Å; A314-R316 PolarHBondContact O-N 3.44Å
317S82.7Confident85.5Confident35 Ų3543.5 Ų43.525%0.24525%0.245CC..Hα-helixtrans-98.7-22.1-176.468.20000113.7F313F313-S317 WeakPolarHBondContact O-CB 3.46Å; F313-S317 PolarHBondContact O-N 3.09Å; F313-S317 PolarHBondContact O-OG 3.23Å
318G75.6Confident85.2Confident13 Ų1344.8 Ų44.813%0.13425%0.25CS..SBendtrans-101.6156.7-175.600000113.3A314 A320 D553A314-G318 PolarHBondContact O-N 2.91Å; A314-G318 VanDerWaalsContact O-N 3.09Å; G318-A320 PolarHBondContact O-N 3.48Å; G318-D553 VanDerWaalsContact O-OD2 3.1Å
319P70.8Confident85Confident42 Ų4246.6 Ų46.627%0.27326%0.258SS..  trans-62.3135.9-179.428.4-35000110.5T321 L324 D553P319-T321 HydrophobicContact CB-CG2 4.04Å; P319-T321 HydrophobicContact CG-CG2 4.13Å; P319-T321 PolarHBondContact O-N 3.2Å; P319-T321 PolarHBondContact O-OG1 2.9Å; P319-L324 WeakPolarHBondContact O-CD2 3.34Å; P319-D553 VanDerWaalsContact CA-OD2 3.3Å; P319-D553 WeakPolarHBondContact CA-OD2 3.44Å; P319-D553 HydrophobicContact CB-CB 4.18Å
320A71Confident84.8Confident112 Ų11247.5 Ų47.593%0.92626%0.263SS*.  trans-67.968.4179.600000112.8G318G318-A320 PolarHBondContact O-N 3.48Å
321T76.7Confident84.8Confident59 Ų5949.2 Ų49.236%0.36227%0.266SS..  trans-102.4156.1-17962.50000110.9P319 F323 L324 K325P319-T321 HydrophobicContact CB-CG2 4.04Å; P319-T321 HydrophobicContact CG-CG2 4.13Å; P319-T321 PolarHBondContact O-N 3.2Å; P319-T321 PolarHBondContact O-OG1 2.9Å; T321-F323 PolarHBondContact O-N 3.14Å; T321-L324 WeakPolarHBondContact OG1-CB 3.45Å; T321-L324 PolarHBondContact OG1-N 3.5Å; T321-K325 PolarHBondContact O-N 3.4Å
322S76.2Confident84.8Confident95 Ų9549.3 Ų49.366%0.66427%0.266SS*.Hα-helixtrans-61.9-31.2173.5-170.80000112E326S322-E326 WeakPolarHBondContact O-CG 3.37Å; S322-E326 PolarHBondContact O-N 3.19Å
323F79.8Confident84.8Confident119 Ų11951.3 Ų51.352%0.52228%0.275SS..Hα-helixtrans-68.3-50.6179.7-178-100.2000111.8L246 T321 K325 E326 E327L246-F323 HydrophobicContact CD1-CE2 4.01Å; L246-F323 HydrophobicContact CD1-CZ 4.44Å; L246-F323 HydrophobicContact CD2-CE2 4.45Å; T321-F323 PolarHBondContact O-N 3.14Å; F323-K325 PolarHBondContact O-N 2.86Å; F323-E326 WeakPolarHBondContact O-CA 3.24Å; F323-E326 WeakPolarHBondContact O-CB 3.45Å; F323-E326 PolarHBondContact O-N 3.29Å; F323-E327 HydrophobicContact CD1-CG 4.2Å; F323-E327 HydrophobicContact CE1-CG 3.86Å; F323-E327 WeakPolarHBondContact CE1-OE1 3.29Å; F323-E327 HydrophobicContact CZ-CG 4.19Å; F323-E327 PolarHBondContact O-N 3.24Å
324L83.9Confident84.7Confident24 Ų2450.8 Ų50.813%0.12627%0.273CS..Hα-helixtrans-59.3-37.2177.3-173.862.8000111.7A314 P319 T321 E326 E327 Y328A314-L324 HydrophobicContact CB-CD1 4.23Å; A314-L324 WeakPolarHBondContact O-CD2 3.39Å; P319-L324 WeakPolarHBondContact O-CD2 3.34Å; T321-L324 WeakPolarHBondContact OG1-CB 3.45Å; T321-L324 PolarHBondContact OG1-N 3.5Å; L324-E326 VanDerWaalsContact C-N 3.3Å; L324-E326 PolarHBondContact O-N 2.92Å; L324-E327 WeakPolarHBondContact CD1-OE2 3.5Å; L324-E327 PolarHBondContact O-N 3.02Å; L324-Y328 HydrophobicContact CG-CD1 4.24Å; L324-Y328 HydrophobicContact CG-CE1 4.47Å; L324-Y328 WeakPolarHBondContact O-CD1 3.44Å; L324-Y328 WeakPolarHBondContact O-CE1 3.21Å; L324-Y328 PolarHBondContact O-N 2.96Å; L324-Y328 VanDerWaalsContact O-N 3.16Å
325K86Confident84.8Confident45 Ų4549.7 Ų49.720%0.19626%0.264CS..Hα-helixtrans-56.5-43.3172.3-175.2178.7178.3178.10112.1T321 F323 Y328 K329 M355 E359T321-K325 PolarHBondContact O-N 3.4Å; F323-K325 PolarHBondContact O-N 2.86Å; K325-Y328 VanDerWaalsContact CA-CE1 3.42Å; K325-Y328 HydrophobicContact CB-CE1 4.31Å; K325-K329 WeakPolarHBondContact O-CB 3.43Å; K325-K329 PolarHBondContact O-N 3.39Å; K325-M355 HydrophobicContact CD-CE 4.4Å; K325-M355 HydrophobicContact CG-CE 3.48Å; K325-M355 VanDerWaalsContact CG-CE 3.48Å; K325-M355 PolarHBondContact NZ-O 3.32Å; K325-M355 WeakPolarHBondContact O-CE 3.5Å; K325-E359 IonicContact NZ-OE1 3.84Å; K325-E359 PolarHBondContact NZ-OE1 3.3Å
326E87.3Confident85.2Confident40 Ų4045.8 Ų45.819%0.18725%0.25CC..Hα-helixtrans-71.1-33.4177.8-67-71.2125.400112.4R235 L246 S322 F323 L324 K329R235-E326 IonicContact CZ-OE2 2.93Å; R235-E326 IonicContact NH1-OE2 3.65Å; R235-E326 PolarHBondContact NH1-OE2 3.12Å; R235-E326 IonicContact NH2-OE2 3.79Å; R235-E326 PolarHBondContact NH2-OE2 2.87Å; L246-E326 HydrophobicContact CD1-CB 4.23Å; S322-E326 WeakPolarHBondContact O-CG 3.37Å; S322-E326 PolarHBondContact O-N 3.19Å; F323-E326 WeakPolarHBondContact O-CA 3.24Å; F323-E326 WeakPolarHBondContact O-CB 3.45Å; F323-E326 PolarHBondContact O-N 3.29Å; L324-E326 VanDerWaalsContact C-N 3.3Å; L324-E326 PolarHBondContact O-N 2.92Å; E326-K329 WeakPolarHBondContact O-CB 3.46Å
327E88.8Confident85.3Confident55 Ų5546.7 Ų46.726%0.25726%0.258SS..Hα-helixtrans-64.4-56.3177.7-68.5-174.1136.400112.2V228 L246 F323 L324 K329 L330 Y331V228-E327 HydrophobicContact CG2-CB 4.39Å; L246-E327 HydrophobicContact CD1-CG 4.27Å; F323-E327 HydrophobicContact CD1-CG 4.2Å; F323-E327 HydrophobicContact CE1-CG 3.86Å; F323-E327 WeakPolarHBondContact CE1-OE1 3.29Å; F323-E327 HydrophobicContact CZ-CG 4.19Å; F323-E327 PolarHBondContact O-N 3.24Å; L324-E327 WeakPolarHBondContact CD1-OE2 3.5Å; L324-E327 PolarHBondContact O-N 3.02Å; E327-K329 PolarHBondContact O-N 2.85Å; E327-L330 WeakPolarHBondContact O-CB 3.03Å; E327-L330 PolarHBondContact O-N 2.88Å; E327-L330 VanDerWaalsContact O-N 3.17Å; E327-Y331 WeakPolarHBondContact O-CD2 3.32Å
328Y89.8Confident85.4Confident29 Ų2947.4 Ų47.411%0.11426%0.258CS..Hα-helixtrans-73.4-16.2-17770.6-111000112.7V311 R315 L324 K325 L330 Y331 L332 M355V311-Y328 HydrophobicContact CG1-CD2 3.69Å; V311-Y328 HydrophobicContact CG1-CE2 4.42Å; V311-Y328 HydrophobicContact CG1-CG 4.15Å; R315-Y328 HydrophobicContact CB-CE1 4.4Å; L324-Y328 HydrophobicContact CG-CD1 4.24Å; L324-Y328 HydrophobicContact CG-CE1 4.47Å; L324-Y328 WeakPolarHBondContact O-CD1 3.44Å; L324-Y328 WeakPolarHBondContact O-CE1 3.21Å; L324-Y328 PolarHBondContact O-N 2.96Å; L324-Y328 VanDerWaalsContact O-N 3.16Å; K325-Y328 VanDerWaalsContact CA-CE1 3.42Å; K325-Y328 HydrophobicContact CB-CE1 4.31Å; Y328-L330 PolarHBondContact O-N 3.25Å; Y328-Y331 WeakPolarHBondContact O-CB 3.46Å; Y328-Y331 PolarHBondContact O-N 3.48Å; Y328-L332 HydrophobicContact CD2-CD1 4.43Å; Y328-L332 PolarHBondContact O-N 2.83Å; Y328-M355 HydrophobicContact CD2-CE 4.09Å; Y328-M355 HydrophobicContact CD2-SD 4.02Å; Y328-M355 HydrophobicContact CE2-CE 3.46Å; Y328-M355 VanDerWaalsContact CE2-CE 3.46Å; Y328-M355 HydrophobicContact CE2-CG 3.9Å; Y328-M355 HydrophobicContact CE2-SD 3.4Å; Y328-M355 WeakPolarHBondContact CE2-SD 3.49Å
329K91.2Very high86Confident40 Ų4049.3 Ų49.317%0.17426%0.261CS..Hα-helixtrans-56.6-40.5168.6-173.1175.5160.6179.20111.5K325 E326 E327 Y331 L332 E333 M355K325-K329 WeakPolarHBondContact O-CB 3.43Å; K325-K329 PolarHBondContact O-N 3.39Å; E326-K329 WeakPolarHBondContact O-CB 3.46Å; E327-K329 PolarHBondContact O-N 2.85Å; K329-Y331 VanDerWaalsContact C-N 3.29Å; K329-Y331 PolarHBondContact O-N 3.13Å; K329-L332 WeakPolarHBondContact O-CB 3.19Å; K329-L332 PolarHBondContact O-N 3.13Å; K329-L332 VanDerWaalsContact O-N 3.16Å; K329-E333 WeakPolarHBondContact CE-OE1 3.36Å; K329-E333 HydrophobicContact CG-CG 4.37Å; K329-E333 IonicContact NZ-OE1 3Å; K329-E333 WeakPolarHBondContact O-CG 3.44Å; K329-E333 PolarHBondContact O-N 3.41Å; K329-M355 HydrophobicContact CB-CE 3.67Å; K329-M355 HydrophobicContact CD-CE 4.36Å; K329-M355 HydrophobicContact CG-CE 4.06Å
330L90.6Very high86.5Confident21 Ų2148.3 Ų48.311%0.1126%0.255CS..Hα-helixtrans-65.1-35.1-178.4-56164.4000112V228 L246 L248 E327 Y328 E333 K334V228-L330 HydrophobicContact CG1-CD1 3.79Å; V228-L330 HydrophobicContact CG2-CD1 4.33Å; L246-L330 HydrophobicContact CB-CD1 3.56Å; L246-L330 WeakPolarHBondContact O-CD2 3.34Å; L248-L330 HydrophobicContact CB-CB 3.89Å; E327-L330 WeakPolarHBondContact O-CB 3.03Å; E327-L330 PolarHBondContact O-N 2.88Å; E327-L330 VanDerWaalsContact O-N 3.17Å; Y328-L330 PolarHBondContact O-N 3.25Å; L330-E333 PolarHBondContact O-N 3.16Å; L330-K334 WeakPolarHBondContact O-CB 3.28Å; L330-K334 PolarHBondContact O-N 2.95Å
331Y92.9Very high87.4Confident47 Ų4743 Ų4318%0.18421%0.211CC..Hα-helixtrans-64.8-44.2175-70.6-116.8000110.4A226 V228 L248 L307 V311 E327 Y328 K329 K334 V335A226-Y331 HydrophobicContact CB-CE1 3.9Å; A226-Y331 PolarHBondContact O-OH 2.96Å; V228-Y331 HydrophobicContact CG2-CE2 3.83Å; L248-Y331 HydrophobicContact CD1-CD2 3.9Å; L248-Y331 HydrophobicContact CD1-CE1 4.21Å; L248-Y331 HydrophobicContact CD1-CE2 3.44Å; L248-Y331 VanDerWaalsContact CD1-CE2 3.44Å; L248-Y331 HydrophobicContact CD1-CG 4.45Å; L248-Y331 HydrophobicContact CD2-CD1 4.25Å; L248-Y331 HydrophobicContact CD2-CD2 4.09Å; L248-Y331 HydrophobicContact CD2-CE2 4.43Å; L248-Y331 HydrophobicContact CD2-CG 3.98Å; L307-Y331 HydrophobicContact CB-CD1 4.26Å; L307-Y331 HydrophobicContact CD2-CD1 3.59Å; L307-Y331 HydrophobicContact CD2-CE1 3.93Å; L307-Y331 HydrophobicContact CG-CD1 4.47Å; V311-Y331 VanDerWaalsContact CG2-CB 3.45Å; V311-Y331 HydrophobicContact CG2-CG 4.28Å; E327-Y331 WeakPolarHBondContact O-CD2 3.32Å; Y328-Y331 WeakPolarHBondContact O-CB 3.46Å; Y328-Y331 PolarHBondContact O-N 3.48Å; K329-Y331 VanDerWaalsContact C-N 3.29Å; K329-Y331 PolarHBondContact O-N 3.13Å; Y331-K334 PolarHBondContact O-N 3.4Å; Y331-V335 WeakPolarHBondContact O-CG2 3.5Å; Y331-V335 PolarHBondContact O-N 3.32Å
332L93Very high88.2Confident2 Ų240.1 Ų40.11%0.0119%0.193CC..Hα-helixtrans-63.1-45.6175.1-64.6173.9000111.5L308 V311 Y328 K329 K334 V335 I336 A348 H351 M355L308-L332 HydrophobicContact CD2-CD2 3.67Å; V311-L332 HydrophobicContact CB-CD2 4.45Å; V311-L332 HydrophobicContact CG1-CD1 4.36Å; V311-L332 HydrophobicContact CG1-CD2 4.1Å; V311-L332 HydrophobicContact CG1-CG 4.19Å; V311-L332 HydrophobicContact CG2-CD2 3.97Å; V311-L332 HydrophobicContact CG2-CG 3.98Å; Y328-L332 HydrophobicContact CD2-CD1 4.43Å; Y328-L332 PolarHBondContact O-N 2.83Å; K329-L332 WeakPolarHBondContact O-CB 3.19Å; K329-L332 PolarHBondContact O-N 3.13Å; K329-L332 VanDerWaalsContact O-N 3.16Å; L332-K334 VanDerWaalsContact C-N 3.33Å; L332-K334 PolarHBondContact O-N 2.88Å; L332-V335 PolarHBondContact O-N 2.73Å; L332-I336 HydrophobicContact CB-CD1 4.36Å; L332-I336 WeakPolarHBondContact O-CB 3.48Å; L332-I336 WeakPolarHBondContact O-CD1 3.4Å; L332-I336 WeakPolarHBondContact O-CG1 3.5Å; L332-I336 PolarHBondContact O-N 3.2Å; L332-A348 HydrophobicContact CD2-CB 4.34Å; L332-H351 HydrophobicContact CD1-CB 3.8Å; L332-H351 HydrophobicContact CD2-CB 3.65Å; L332-H351 HydrophobicContact CG-CB 4.41Å; L332-M355 HydrophobicContact CD1-SD 3.5Å; L332-M355 WeakPolarHBondContact CD1-SD 3.25Å
333E91.8Very high89Confident50 Ų5035.6 Ų35.623%0.23416%0.162CC..Hα-helixtrans-61.1-41.3179.3-73.5178166.500111.8K329 L330 V335 I336 E337K329-E333 WeakPolarHBondContact CE-OE1 3.36Å; K329-E333 HydrophobicContact CG-CG 4.37Å; K329-E333 IonicContact NZ-OE1 3Å; K329-E333 WeakPolarHBondContact O-CG 3.44Å; K329-E333 PolarHBondContact O-N 3.41Å; L330-E333 PolarHBondContact O-N 3.16Å; E333-V335 VanDerWaalsContact C-N 3.34Å; E333-V335 PolarHBondContact O-N 3.49Å; E333-I336 PolarHBondContact O-N 3.33Å; E333-E337 WeakPolarHBondContact O-CB 3.29Å; E333-E337 PolarHBondContact O-N 3.16Å
334K90.5Very high89.7Confident28 Ų2830 Ų3012%0.12214%0.137CC..Hα-helixtrans-60.4-41.7175.7-168.668.8168.6-1700112.4L248 V250 E296 L299 L307 L330 Y331 L332 Q338L248-K334 HydrophobicContact CD2-CB 4.11Å; L248-K334 HydrophobicContact CD2-CG 4.39Å; V250-K334 HydrophobicContact CG2-CG 4.45Å; E296-K334 IonicContact OE2-NZ 3.54Å; E296-K334 PolarHBondContact OE2-NZ 3.41Å; L299-K334 HydrophobicContact CD1-CG 4.07Å; L307-K334 HydrophobicContact CD1-CB 4.44Å; L307-K334 HydrophobicContact CD1-CG 4.29Å; L330-K334 WeakPolarHBondContact O-CB 3.28Å; L330-K334 PolarHBondContact O-N 2.95Å; Y331-K334 PolarHBondContact O-N 3.4Å; L332-K334 VanDerWaalsContact C-N 3.33Å; L332-K334 PolarHBondContact O-N 2.88Å; K334-Q338 WeakPolarHBondContact O-CG 3.47Å
335V91.6Very high90.2Very high0 Ų028.8 Ų28.80%013%0.131CC..Hα-helixtrans-67.2-46.2175.6174.80000110.7Q304 L307 L308 Y331 L332 E333 E337 Q338 R339 Q345 A348Q304-V335 HydrophobicContact CB-CG1 4.13Å; Q304-V335 HydrophobicContact CB-CG2 4.03Å; Q304-V335 HydrophobicContact CG-CG1 4.37Å; Q304-V335 HydrophobicContact CG-CG2 4.21Å; L307-V335 HydrophobicContact CB-CG2 4.02Å; L307-V335 HydrophobicContact CD1-CG2 4.05Å; L308-V335 HydrophobicContact CG-CG2 4.48Å; Y331-V335 WeakPolarHBondContact O-CG2 3.5Å; Y331-V335 PolarHBondContact O-N 3.32Å; L332-V335 PolarHBondContact O-N 2.73Å; E333-V335 VanDerWaalsContact C-N 3.34Å; E333-V335 PolarHBondContact O-N 3.49Å; V335-E337 VanDerWaalsContact C-N 3.34Å; V335-E337 PolarHBondContact O-N 3.12Å; V335-Q338 PolarHBondContact O-N 3.49Å; V335-R339 PolarHBondContact O-N 3.2Å; V335-Q345 PolarHBondContact O-OE1 3.15Å; V335-A348 HydrophobicContact CB-CB 4.19Å; V335-A348 HydrophobicContact CG1-CB 3.73Å
336I92.6Very high90.7Very high7 Ų726.7 Ų26.74%0.03612%0.122CC..Hα-helixtrans-64.5-37.2-176.2-69.7163.8000112.3L332 E333 R339 Q345 A348 L349 R352L332-I336 HydrophobicContact CB-CD1 4.36Å; L332-I336 WeakPolarHBondContact O-CB 3.48Å; L332-I336 WeakPolarHBondContact O-CD1 3.4Å; L332-I336 WeakPolarHBondContact O-CG1 3.5Å; L332-I336 PolarHBondContact O-N 3.2Å; E333-I336 PolarHBondContact O-N 3.33Å; I336-R339 WeakPolarHBondContact O-CG 3.49Å; I336-Q345 PolarHBondContact O-NE2 3.23Å; I336-Q345 VanDerWaalsContact O-NE2 3.12Å; I336-A348 HydrophobicContact CD1-CB 4.27Å; I336-A348 HydrophobicContact CG1-CB 3.72Å; I336-L349 HydrophobicContact CD1-CD2 4.06Å; I336-L349 HydrophobicContact CG1-CD2 4.01Å; I336-L349 HydrophobicContact CG1-CG 4.44Å; I336-L349 HydrophobicContact CG2-CD2 4.01Å; I336-R352 HydrophobicContact CD1-CB 4.05Å; I336-R352 HydrophobicContact CD1-CG 4.5Å
337E88.4Confident91.1Very high118 Ų11824.8 Ų24.855%0.55111%0.113SC*.Hα-helixtrans-65.9-42.3179-177.3-179.3-166.600111.9E333 V335E333-E337 WeakPolarHBondContact O-CB 3.29Å; E333-E337 PolarHBondContact O-N 3.16Å; V335-E337 VanDerWaalsContact C-N 3.34Å; V335-E337 PolarHBondContact O-N 3.12Å
338Q85.8Confident91.5Very high49 Ų4922.2 Ų22.223%0.22910%0.101CC..Hα-helixtrans-81.7-23-173.5-69.8-175.5-3.700114.6Q304 K334 V335 S340Q304-Q338 VanDerWaalsContact NE2-CB 3.34Å; Q304-Q338 VanDerWaalsContact NE2-OE1 3.15Å; K334-Q338 WeakPolarHBondContact O-CG 3.47Å; V335-Q338 PolarHBondContact O-N 3.49Å; Q338-S340 VanDerWaalsContact C-N 3.33Å; Q338-S340 PolarHBondContact O-N 3.32Å; Q338-S340 VanDerWaalsContact O-N 3.15Å
339R87.4Confident91.8Very high54 Ų5421 Ų2120%0.20410%0.096CC..  trans47.745.6173.1-57.1-179.666.8-149.8-3.9114.5E268 V271 P272 V335 I336E268-R339 PolarHBondContact O-NH2 3.45Å; V271-R339 HydrophobicContact CB-CB 4.4Å; V271-R339 HydrophobicContact CG1-CB 3.92Å; V271-R339 WeakPolarHBondContact CG2-O 3.46Å; V271-R339 PolarHBondContact O-NH2 3.1Å; P272-R339 PolarHBondContact O-NE 3.36Å; V335-R339 PolarHBondContact O-N 3.2Å; I336-R339 WeakPolarHBondContact O-CG 3.49Å
340S82Confident92.1Very high20 Ų2020.3 Ų20.314%0.149%0.093CC..  trans-81.8-28.7-172.179.50000114.8Q266 Q304 Q338Q266-S340 VanDerWaalsContact CG-O 3.31Å; Q266-S340 WeakPolarHBondContact CG-O 3.5Å; Q266-S340 PolarHBondContact OE1-O 3.43Å; Q304-S340 VanDerWaalsContact NE2-CB 3.34Å; Q304-S340 PolarHBondContact NE2-OG 3.13Å; Q304-S340 VanDerWaalsContact NE2-OG 3.08Å; Q304-S340 PolarHBondContact OE1-OG 2.74Å; Q338-S340 VanDerWaalsContact C-N 3.33Å; Q338-S340 PolarHBondContact O-N 3.32Å; Q338-S340 VanDerWaalsContact O-N 3.15Å
341N89.7Confident92.3Very high0 Ų020 Ų200%09%0.09CC..  trans-144.8137.6-173.7174.2-90.2000111.5A301 A343 A344 Q345 N389A301-N341 HydrophobicContact CB-CB 3.77Å; N341-A343 PolarHBondContact O-N 3.01Å; N341-A343 WeakPolarHBondContact OD1-CA 3.19Å; N341-A343 WeakPolarHBondContact OD1-CB 3.28Å; N341-A343 PolarHBondContact OD1-N 3.32Å; N341-A344 HydrophobicContact CB-CB 4.18Å; N341-A344 PolarHBondContact OD1-N 3.38Å; N341-Q345 WeakPolarHBondContact O-CB 3.31Å; N341-Q345 PolarHBondContact O-N 3.14Å; N341-N389 PolarHBondContact ND2-O 3.42Å
342W92.7Very high92.4Very high0 Ų018.3 Ų18.30%08%0.084CC..Hα-helixtrans-57-48-178.6-172.696.8000113.8C78 P272 T346 R387 L396C78-W342 HydrophobicContact CB-CH2 4.21Å; C78-W342 HydrophobicContact CB-CZ3 3.67Å; C78-W342 WeakPolarHBondContact O-CH2 3.31Å; P272-W342 HydrophobicContact CG-CG 4.48Å; W342-T346 HydrophobicContact CH2-CG2 4.3Å; W342-T346 WeakPolarHBondContact O-CB 3.38Å; W342-T346 PolarHBondContact O-N 3.38Å; W342-T346 PolarHBondContact O-OG1 3.12Å; W342-R387 HydrophobicContact CD2-CB 3.92Å; W342-R387 HydrophobicContact CD2-CG 3.76Å; W342-R387 HydrophobicContact CE3-CB 3.7Å; W342-R387 HydrophobicContact CE3-CG 4.07Å; W342-R387 HydrophobicContact CG-CB 4.44Å; W342-R387 HydrophobicContact CG-CG 4.05Å; W342-R387 HydrophobicContact CZ2-CG 4.41Å; W342-R387 HydrophobicContact CZ3-CB 4.07Å; W342-L396 HydrophobicContact CH2-CD2 4.37Å; W342-L396 HydrophobicContact CZ3-CD2 3.76Å
343A94.1Very high92.6Very high0 Ų018.3 Ų18.30%08%0.084CC..Hα-helixtrans-71.8-42.6-17500000111.8N341 T346 A347 N389 S394N341-A343 PolarHBondContact O-N 3.01Å; N341-A343 WeakPolarHBondContact OD1-CA 3.19Å; N341-A343 WeakPolarHBondContact OD1-CB 3.28Å; N341-A343 PolarHBondContact OD1-N 3.32Å; A343-T346 PolarHBondContact O-N 3.38Å; A343-A347 WeakPolarHBondContact O-CB 3.46Å; A343-A347 PolarHBondContact O-N 3.02Å; A343-N389 WeakPolarHBondContact CB-O 3.31Å; A343-S394 PolarHBondContact O-OG 3.32Å
344A93.7Very high92.6Very high0 Ų017.8 Ų17.80%08%0.082CC..Hα-helixtrans-62.4-47.2174.700000111.3Q304 L308 N341 T346 A347 A348Q304-A344 HydrophobicContact CB-CB 4.38Å; L308-A344 HydrophobicContact CD1-CB 4.14Å; L308-A344 WeakPolarHBondContact CD1-O 3.42Å; N341-A344 HydrophobicContact CB-CB 4.18Å; N341-A344 PolarHBondContact OD1-N 3.38Å; A344-T346 PolarHBondContact O-N 3.09Å; A344-A347 PolarHBondContact O-N 2.77Å; A344-A348 WeakPolarHBondContact O-CB 3.33Å; A344-A348 PolarHBondContact O-N 3.18Å
345Q94.8Very high92.6Very high0 Ų017.4 Ų17.40%08%0.08CC..Hα-helixtrans-59.6-48176.9-173.673.91.900111.5V271 P272 V335 I336 N341 A347 A348 L349V271-Q345 HydrophobicContact CG1-CB 3.55Å; V271-Q345 HydrophobicContact CG1-CG 3.67Å; P272-Q345 HydrophobicContact CB-CG 4.01Å; P272-Q345 HydrophobicContact CG-CG 4.29Å; P272-Q345 PolarHBondContact O-NE2 3.41Å; V335-Q345 PolarHBondContact O-OE1 3.15Å; I336-Q345 PolarHBondContact O-NE2 3.23Å; I336-Q345 VanDerWaalsContact O-NE2 3.12Å; N341-Q345 WeakPolarHBondContact O-CB 3.31Å; N341-Q345 PolarHBondContact O-N 3.14Å; Q345-A347 VanDerWaalsContact C-N 3.32Å; Q345-A347 PolarHBondContact O-N 3.1Å; Q345-A348 PolarHBondContact O-N 3.5Å; Q345-L349 HydrophobicContact CG-CD1 3.89Å; Q345-L349 HydrophobicContact CG-CG 4.32Å; Q345-L349 WeakPolarHBondContact O-CB 3.47Å; Q345-L349 VanDerWaalsContact O-CG 3.24Å; Q345-L349 WeakPolarHBondContact O-CG 3.45Å; Q345-L349 PolarHBondContact O-N 2.79Å
346T96.3Very high92.7Very high1 Ų117.7 Ų17.71%0.0068%0.082CC..Hα-helixtrans-61.6-41.8-179.2-550000111.4P272 W342 A343 A344 Y350 L396P272-T346 WeakPolarHBondContact CG-OG1 3.48Å; W342-T346 HydrophobicContact CH2-CG2 4.3Å; W342-T346 WeakPolarHBondContact O-CB 3.38Å; W342-T346 PolarHBondContact O-N 3.38Å; W342-T346 PolarHBondContact O-OG1 3.12Å; A343-T346 PolarHBondContact O-N 3.38Å; A344-T346 PolarHBondContact O-N 3.09Å; T346-Y350 WeakPolarHBondContact O-CB 3.17Å; T346-Y350 PolarHBondContact O-N 2.86Å; T346-L396 HydrophobicContact CG2-CD1 3.49Å; T346-L396 VanDerWaalsContact CG2-CD1 3.49Å
347A96.3Very high92.7Very high0 Ų018.7 Ų18.70%09%0.086CC..Hα-helixtrans-65.7-43.3175.500000112L308 A343 A344 Q345 Y350 H351 S394 L396L308-A347 HydrophobicContact CD1-CB 4.08Å; A343-A347 WeakPolarHBondContact O-CB 3.46Å; A343-A347 PolarHBondContact O-N 3.02Å; A344-A347 PolarHBondContact O-N 2.77Å; Q345-A347 VanDerWaalsContact C-N 3.32Å; Q345-A347 PolarHBondContact O-N 3.1Å; A347-Y350 WeakPolarHBondContact O-CB 3.04Å; A347-Y350 PolarHBondContact O-N 3.44Å; A347-H351 PolarHBondContact O-CD2 3.34Å; A347-H351 PolarHBondContact O-N 2.95Å; A347-S394 VanDerWaalsContact CB-O 3.25Å; A347-S394 WeakPolarHBondContact CB-O 3.37Å; A347-L396 HydrophobicContact CB-CD1 4.38Å
348A96.4Very high92.8Very high0 Ų021.8 Ų21.80%09%0.092CC..Hα-helixtrans-60.7-46.9177.500000111.9L308 L332 V335 I336 A344 Q345 Y350 H351 R352L308-A348 HydrophobicContact CD2-CB 3.82Å; L332-A348 HydrophobicContact CD2-CB 4.34Å; V335-A348 HydrophobicContact CB-CB 4.19Å; V335-A348 HydrophobicContact CG1-CB 3.73Å; I336-A348 HydrophobicContact CD1-CB 4.27Å; I336-A348 HydrophobicContact CG1-CB 3.72Å; A344-A348 WeakPolarHBondContact O-CB 3.33Å; A344-A348 PolarHBondContact O-N 3.18Å; Q345-A348 PolarHBondContact O-N 3.5Å; A348-Y350 PolarHBondContact O-N 3.19Å; A348-H351 PolarHBondContact O-N 2.96Å; A348-R352 PolarHBondContact O-N 3.22Å
349L96.8Very high93Very high4 Ų423 Ų232%0.02110%0.098CC..Hα-helixtrans-61.8-42176.2-68.5172.9000111.6P272 I336 Q345 H351 R352 C353 Q369P272-L349 HydrophobicContact CB-CD1 3.79Å; I336-L349 HydrophobicContact CD1-CD2 4.06Å; I336-L349 HydrophobicContact CG1-CD2 4.01Å; I336-L349 HydrophobicContact CG1-CG 4.44Å; I336-L349 HydrophobicContact CG2-CD2 4.01Å; Q345-L349 HydrophobicContact CG-CD1 3.89Å; Q345-L349 HydrophobicContact CG-CG 4.32Å; Q345-L349 WeakPolarHBondContact O-CB 3.47Å; Q345-L349 VanDerWaalsContact O-CG 3.24Å; Q345-L349 WeakPolarHBondContact O-CG 3.45Å; Q345-L349 PolarHBondContact O-N 2.79Å; L349-H351 PolarHBondContact O-N 3.32Å; L349-R352 PolarHBondContact O-N 3.12Å; L349-C353 PolarHBondContact O-N 3.27Å; L349-C353 PolarHBondContact O-SG 3.44Å; L349-Q369 HydrophobicContact CB-CG 4.25Å; L349-Q369 HydrophobicContact CD2-CG 4.15Å
350Y97Very high93.1Very high25 Ų2525.6 Ų25.610%0.09812%0.124CC..Hα-helixtrans-58.3-46.7173.1164.3-94.3000111.9T346 A347 A348 R352 C353 Q354 M370 P397 V401 R402 C405T346-Y350 WeakPolarHBondContact O-CB 3.17Å; T346-Y350 PolarHBondContact O-N 2.86Å; A347-Y350 WeakPolarHBondContact O-CB 3.04Å; A347-Y350 PolarHBondContact O-N 3.44Å; A348-Y350 PolarHBondContact O-N 3.19Å; Y350-R352 VanDerWaalsContact C-N 3.35Å; Y350-R352 PolarHBondContact O-N 3.25Å; Y350-C353 PolarHBondContact O-N 3Å; Y350-Q354 HydrophobicContact CD1-CG 4.44Å; Y350-Q354 HydrophobicContact CD2-CG 4.49Å; Y350-Q354 HydrophobicContact CE1-CG 3.93Å; Y350-Q354 HydrophobicContact CE2-CG 4Å; Y350-Q354 WeakPolarHBondContact O-CG 3.49Å; Y350-Q354 PolarHBondContact O-N 3.28Å; Y350-Q354 PolarHBondContact OH-NE2 3.47Å; Y350-M370 HydrophobicContact CD2-CE 3.85Å; Y350-M370 HydrophobicContact CD2-SD 4.4Å; Y350-P397 HydrophobicContact CD1-CG 3.68Å; Y350-P397 HydrophobicContact CD2-CG 3.8Å; Y350-P397 HydrophobicContact CE1-CB 4.45Å; Y350-P397 HydrophobicContact CE1-CG 3.77Å; Y350-P397 HydrophobicContact CE2-CG 3.89Å; Y350-P397 HydrophobicContact CG-CG 3.69Å; Y350-V401 HydrophobicContact CE2-CG1 4.19Å; Y350-V401 WeakPolarHBondContact OH-CG1 3.29Å; Y350-R402 HydrophobicContact CD2-CG 3.98Å; Y350-R402 HydrophobicContact CE2-CG 4.42Å; Y350-C405 HydrophobicContact CE2-CB 4.14Å
351H94.9Very high93.5Very high14 Ų1430.1 Ų30.17%0.06514%0.139CC..Hα-helixtrans-64.1-39.4178.6-78.2-62.9000112.1L332 A347 A348 L349 Q354 M355L332-H351 HydrophobicContact CD1-CB 3.8Å; L332-H351 HydrophobicContact CD2-CB 3.65Å; L332-H351 HydrophobicContact CG-CB 4.41Å; A347-H351 PolarHBondContact O-CD2 3.34Å; A347-H351 PolarHBondContact O-N 2.95Å; A348-H351 PolarHBondContact O-N 2.96Å; L349-H351 PolarHBondContact O-N 3.32Å; H351-Q354 WeakPolarHBondContact O-CB 3.44Å; H351-Q354 PolarHBondContact O-N 2.92Å; H351-M355 WeakPolarHBondContact O-CG 3.24Å; H351-M355 PolarHBondContact O-N 3.48Å; H351-M355 VanDerWaalsContact O-N 3.15Å
352R95.1Very high93.7Very high13 Ų1331.5 Ų31.55%0.04915%0.145CC..Hα-helixtrans-60.6-48172.7-175.817468178.53.8111.6T274 I336 A348 L349 Y350 Q354 M355 E356T274-R352 PolarHBondContact OG1-NH1 3.14Å; T274-R352 VanDerWaalsContact OG1-NH1 3.14Å; T274-R352 PolarHBondContact OG1-NH2 3.14Å; I336-R352 HydrophobicContact CD1-CB 4.05Å; I336-R352 HydrophobicContact CD1-CG 4.5Å; A348-R352 PolarHBondContact O-N 3.22Å; L349-R352 PolarHBondContact O-N 3.12Å; Y350-R352 VanDerWaalsContact C-N 3.35Å; Y350-R352 PolarHBondContact O-N 3.25Å; R352-Q354 VanDerWaalsContact C-N 3.29Å; R352-Q354 PolarHBondContact O-N 3.22Å; R352-M355 WeakPolarHBondContact O-CB 3.47Å; R352-M355 PolarHBondContact O-N 3.17Å; R352-E356 WeakPolarHBondContact CD-OE1 3.39Å; R352-E356 HydrophobicContact CG-CG 4.4Å; R352-E356 WeakPolarHBondContact CG-OE1 3.48Å; R352-E356 WeakPolarHBondContact O-CG 3.3Å; R352-E356 PolarHBondContact O-N 3.49Å
353C96.1Very high93.8Very high1 Ų132.5 Ų32.51%0.00715%0.151CC..Hα-helixtrans-58.3-39.8175.5-68.40000112.2L349 Y350 M355 E356 K357 A366 M370L349-C353 PolarHBondContact O-N 3.27Å; L349-C353 PolarHBondContact O-SG 3.44Å; Y350-C353 PolarHBondContact O-N 3Å; C353-M355 PolarHBondContact O-N 3.29Å; C353-E356 PolarHBondContact O-N 2.96Å; C353-K357 WeakPolarHBondContact O-CB 3.4Å; C353-K357 PolarHBondContact O-N 3.27Å; C353-A366 HydrophobicContact CB-CB 4.3Å; C353-A366 PolarHBondContact SG-O 2.89Å; C353-A366 VanDerWaalsContact SG-O 3.36Å; C353-M370 HydrophobicContact CB-CE 3.3Å
354Q93.4Very high93.8Very high40 Ų4036.1 Ų36.119%0.18717%0.171CC..Hα-helixtrans-62.8-30.1175.5-74.6-71.8-17.100113.3Y350 H351 R352 K357 C405Y350-Q354 HydrophobicContact CD1-CG 4.44Å; Y350-Q354 HydrophobicContact CD2-CG 4.49Å; Y350-Q354 HydrophobicContact CE1-CG 3.93Å; Y350-Q354 HydrophobicContact CE2-CG 4Å; Y350-Q354 WeakPolarHBondContact O-CG 3.49Å; Y350-Q354 PolarHBondContact O-N 3.28Å; Y350-Q354 PolarHBondContact OH-NE2 3.47Å; H351-Q354 WeakPolarHBondContact O-CB 3.44Å; H351-Q354 PolarHBondContact O-N 2.92Å; R352-Q354 VanDerWaalsContact C-N 3.29Å; R352-Q354 PolarHBondContact O-N 3.22Å; Q354-K357 WeakPolarHBondContact O-CG 3.14Å; Q354-C405 PolarHBondContact NE2-SG 3.45Å
355M89.6Confident93.8Very high19 Ų1936.4 Ų36.49%0.09417%0.172CC..Hα-helixtrans-77.4-37.2175.3-65.9173.374.700112.5K325 Y328 K329 L332 H351 R352 C353 E359K325-M355 HydrophobicContact CD-CE 4.4Å; K325-M355 HydrophobicContact CG-CE 3.48Å; K325-M355 VanDerWaalsContact CG-CE 3.48Å; K325-M355 PolarHBondContact NZ-O 3.32Å; K325-M355 WeakPolarHBondContact O-CE 3.5Å; Y328-M355 HydrophobicContact CD2-CE 4.09Å; Y328-M355 HydrophobicContact CD2-SD 4.02Å; Y328-M355 HydrophobicContact CE2-CE 3.46Å; Y328-M355 VanDerWaalsContact CE2-CE 3.46Å; Y328-M355 HydrophobicContact CE2-CG 3.9Å; Y328-M355 HydrophobicContact CE2-SD 3.4Å; Y328-M355 WeakPolarHBondContact CE2-SD 3.49Å; K329-M355 HydrophobicContact CB-CE 3.67Å; K329-M355 HydrophobicContact CD-CE 4.36Å; K329-M355 HydrophobicContact CG-CE 4.06Å; L332-M355 HydrophobicContact CD1-SD 3.5Å; L332-M355 WeakPolarHBondContact CD1-SD 3.25Å; H351-M355 WeakPolarHBondContact O-CG 3.24Å; H351-M355 PolarHBondContact O-N 3.48Å; H351-M355 VanDerWaalsContact O-N 3.15Å; R352-M355 WeakPolarHBondContact O-CB 3.47Å; R352-M355 PolarHBondContact O-N 3.17Å; C353-M355 PolarHBondContact O-N 3.29Å; M355-E359 WeakPolarHBondContact O-CG 3.27Å
356E93.2Very high93.9Very high6 Ų636.4 Ų36.43%0.02817%0.172CC..Hα-helixtrans-89.7-18-171.4-71177.9-167.200113.6R352 C353 R358 E359 M362 R365 A366R352-E356 WeakPolarHBondContact CD-OE1 3.39Å; R352-E356 HydrophobicContact CG-CG 4.4Å; R352-E356 WeakPolarHBondContact CG-OE1 3.48Å; R352-E356 WeakPolarHBondContact O-CG 3.3Å; R352-E356 PolarHBondContact O-N 3.49Å; C353-E356 PolarHBondContact O-N 2.96Å; E356-R358 PolarHBondContact O-N 3.3Å; E356-E359 PolarHBondContact O-N 2.94Å; E356-M362 HydrophobicContact CB-CB 3.81Å; E356-M362 HydrophobicContact CG-CB 3.67Å; E356-M362 HydrophobicContact CG-CG 4.34Å; E356-M362 HydrophobicContact CG-SD 3.97Å; E356-R365 IonicContact OE1-CZ 2.82Å; E356-R365 IonicContact OE1-NE 3.74Å; E356-R365 IonicContact OE1-NH2 2.67Å; E356-R365 PolarHBondContact OE1-NH2 2.82Å; E356-R365 IonicContact OE2-CZ 3.47Å; E356-R365 IonicContact OE2-NE 3.38Å; E356-R365 PolarHBondContact OE2-NE 3.16Å; E356-R365 IonicContact OE2-NH2 2.73Å; E356-R365 PolarHBondContact OE2-NH2 3.26Å; E356-A366 HydrophobicContact CB-CB 3.78Å
357K93.1Very high93.9Very high29 Ų2937.9 Ų37.913%0.12618%0.18CC..THydrogen-bonded Turntrans-56.1-13.6-174.965.1176.8-175.9179.90116.7C353 Q354 V363 D408 I409 S412C353-K357 WeakPolarHBondContact O-CB 3.4Å; C353-K357 PolarHBondContact O-N 3.27Å; Q354-K357 WeakPolarHBondContact O-CG 3.14Å; K357-V363 WeakPolarHBondContact O-CG2 3.41Å; K357-D408 WeakPolarHBondContact CD-OD2 3.38Å; K357-D408 WeakPolarHBondContact CE-OD2 2.99Å; K357-D408 IonicContact NZ-OD2 2.95Å; K357-D408 PolarHBondContact NZ-OD2 2.99Å; K357-I409 HydrophobicContact CB-CD1 4.31Å; K357-I409 HydrophobicContact CB-CG1 3.46Å; K357-I409 VanDerWaalsContact CB-CG1 3.46Å; K357-S412 VanDerWaalsContact O-CB 3.32Å; K357-S412 WeakPolarHBondContact O-CB 3.34Å; K357-S412 PolarHBondContact O-OG 2.96Å
358R90.8Very high94Very high182 Ų18242 Ų4269%0.68720%0.197SC*.THydrogen-bonded Turntrans-124.14.5177.1-70.3173.9-172-1752112.6E356E356-R358 PolarHBondContact O-N 3.3Å
359E90.7Very high94Very high75 Ų7542.1 Ų42.135%0.3520%0.198SC..  trans-93.2111.9-179.9-62.1-63.5162.900108.8K325 M355 E356 R361 M362 V363K325-E359 IonicContact NZ-OE1 3.84Å; K325-E359 PolarHBondContact NZ-OE1 3.3Å; M355-E359 WeakPolarHBondContact O-CG 3.27Å; E356-E359 PolarHBondContact O-N 2.94Å; E359-R361 PolarHBondContact O-N 3.48Å; E359-R361 VanDerWaalsContact O-N 3.07Å; E359-M362 HydrophobicContact CB-CB 4.13Å; E359-M362 HydrophobicContact CB-CE 3.66Å; E359-M362 HydrophobicContact CG-CE 3.87Å; E359-M362 PolarHBondContact O-N 3.39Å; E359-V363 WeakPolarHBondContact O-CB 3.41Å; E359-V363 PolarHBondContact O-N 2.74Å
360S88.9Confident94.1Very high108 Ų10841.9 Ų41.976%0.75520%0.197SC*.THydrogen-bonded Turntrans-54.2-35.4-168560000114.7
361R90.8Very high94.1Very high116 Ų11642.6 Ų42.644%0.43820%0.204SC..THydrogen-bonded Turntrans-86.8-10.9-179.6-65.5178.7177.4-91.96.8114.8L277 D279 T281 L282 E359L277-R361 WeakPolarHBondContact CD1-O 3.25Å; D279-R361 IonicContact OD1-NH1 2.85Å; D279-R361 PolarHBondContact OD1-NH1 3.31Å; D279-R361 IonicContact OD2-NH1 3.41Å; D279-R361 PolarHBondContact OD2-NH1 2.88Å; T281-R361 PolarHBondContact OG1-NH1 3.45Å; L282-R361 HydrophobicContact CD1-CB 3.73Å; L282-R361 HydrophobicContact CD1-CG 4.4Å; E359-R361 PolarHBondContact O-N 3.48Å; E359-R361 VanDerWaalsContact O-N 3.07Å
362M93.1Very high94.1Very high29 Ų2945 Ų4514%0.14322%0.217CC..THydrogen-bonded Turntrans-118.5-14.6-174.9-66.1177.7-85.400112.6L277 E356 E359 D364 R365 A366L277-M362 HydrophobicContact CD1-CB 4.13Å; L277-M362 HydrophobicContact CD1-CG 3.62Å; E356-M362 HydrophobicContact CB-CB 3.81Å; E356-M362 HydrophobicContact CG-CB 3.67Å; E356-M362 HydrophobicContact CG-CG 4.34Å; E356-M362 HydrophobicContact CG-SD 3.97Å; E359-M362 HydrophobicContact CB-CB 4.13Å; E359-M362 HydrophobicContact CB-CE 3.66Å; E359-M362 HydrophobicContact CG-CE 3.87Å; E359-M362 PolarHBondContact O-N 3.39Å; M362-D364 VanDerWaalsContact C-N 3.26Å; M362-D364 PolarHBondContact O-N 3.45Å; M362-R365 WeakPolarHBondContact O-CB 3.33Å; M362-R365 PolarHBondContact O-N 3.27Å; M362-R365 VanDerWaalsContact O-N 3.15Å; M362-A366 PolarHBondContact O-N 2.71Å
363V94.3Very high94.2Very high21 Ų2144.5 Ų44.513%0.12722%0.216CC..Hα-helixtrans-60.5-31.8-175.369.70000113.5K357 E359 A366 L367 I409 V413K357-V363 WeakPolarHBondContact O-CG2 3.41Å; E359-V363 WeakPolarHBondContact O-CB 3.41Å; E359-V363 PolarHBondContact O-N 2.74Å; V363-A366 WeakPolarHBondContact O-CB 3.05Å; V363-A366 PolarHBondContact O-N 2.81Å; V363-L367 WeakPolarHBondContact O-CB 3.34Å; V363-L367 PolarHBondContact O-N 3.42Å; V363-I409 HydrophobicContact CG2-CG2 3.83Å; V363-V413 HydrophobicContact CB-CG2 4.37Å; V363-V413 HydrophobicContact CG1-CG2 4.02Å; V363-V413 HydrophobicContact CG2-CG2 3.41Å; V363-V413 VanDerWaalsContact CG2-CG2 3.41Å
364D93.8Very high94.2Very high76 Ų7645.1 Ų45.141%0.40622%0.219SC..Hα-helixtrans-66.4-45.1176.1-178.463.9000111.9M362 A366 L367 K368M362-D364 VanDerWaalsContact C-N 3.26Å; M362-D364 PolarHBondContact O-N 3.45Å; D364-A366 VanDerWaalsContact C-N 3.32Å; D364-A366 PolarHBondContact O-N 3.11Å; D364-L367 PolarHBondContact O-N 2.86Å; D364-K368 WeakPolarHBondContact O-CG 3.48Å; D364-K368 PolarHBondContact O-N 3.44Å; D364-K368 IonicContact OD1-NZ 2.79Å; D364-K368 VanDerWaalsContact OD2-CE 3.27Å; D364-K368 WeakPolarHBondContact OD2-CE 3.17Å; D364-K368 IonicContact OD2-NZ 2.7Å; D364-K368 PolarHBondContact OD2-NZ 3.25Å
365R95.4Very high94.3Very high6 Ų647.8 Ų47.82%0.02323%0.234CC..Hα-helixtrans-58.4-46.2170.8176.817368.6-179.51.3110.7V275 L277 E284 E356 M362 L367 K368 Q369V275-R365 HydrophobicContact CB-CG 4.24Å; V275-R365 HydrophobicContact CG1-CG 4.24Å; V275-R365 WeakPolarHBondContact O-CD 3.5Å; L277-R365 HydrophobicContact CD1-CB 4.34Å; E284-R365 IonicContact OE1-NH1 3.16Å; E284-R365 PolarHBondContact OE1-NH1 2.89Å; E356-R365 IonicContact OE1-CZ 2.82Å; E356-R365 IonicContact OE1-NE 3.74Å; E356-R365 IonicContact OE1-NH2 2.67Å; E356-R365 PolarHBondContact OE1-NH2 2.82Å; E356-R365 IonicContact OE2-CZ 3.47Å; E356-R365 IonicContact OE2-NE 3.38Å; E356-R365 PolarHBondContact OE2-NE 3.16Å; E356-R365 IonicContact OE2-NH2 2.73Å; E356-R365 PolarHBondContact OE2-NH2 3.26Å; M362-R365 WeakPolarHBondContact O-CB 3.33Å; M362-R365 PolarHBondContact O-N 3.27Å; M362-R365 VanDerWaalsContact O-N 3.15Å; R365-L367 VanDerWaalsContact C-N 3.29Å; R365-L367 PolarHBondContact O-N 3.5Å; R365-K368 PolarHBondContact O-N 3.42Å; R365-Q369 WeakPolarHBondContact O-CB 3.46Å; R365-Q369 PolarHBondContact O-N 2.68Å
366A96.6Very high94.5Very high0 Ų048.7 Ų48.70%024%0.238CC..Hα-helixtrans-59.8-40.3179.900000112.5C353 E356 M362 V363 D364 M370 I409C353-A366 HydrophobicContact CB-CB 4.3Å; C353-A366 PolarHBondContact SG-O 2.89Å; C353-A366 VanDerWaalsContact SG-O 3.36Å; E356-A366 HydrophobicContact CB-CB 3.78Å; M362-A366 PolarHBondContact O-N 2.71Å; V363-A366 WeakPolarHBondContact O-CB 3.05Å; V363-A366 PolarHBondContact O-N 2.81Å; D364-A366 VanDerWaalsContact C-N 3.32Å; D364-A366 PolarHBondContact O-N 3.11Å; A366-M370 VanDerWaalsContact O-CB 3.3Å; A366-M370 WeakPolarHBondContact O-CB 3.44Å; A366-M370 PolarHBondContact O-N 2.86Å; A366-I409 HydrophobicContact CB-CD1 4.25Å
367L96.4Very high94.6Very high32 Ų3248.4 Ų48.417%0.16824%0.237CC..Hα-helixtrans-62.5-57176.7-175.2150000110.6V363 D364 R365 Q369 M370 T371 L406 I409 Y410V363-L367 WeakPolarHBondContact O-CB 3.34Å; V363-L367 PolarHBondContact O-N 3.42Å; D364-L367 PolarHBondContact O-N 2.86Å; R365-L367 VanDerWaalsContact C-N 3.29Å; R365-L367 PolarHBondContact O-N 3.5Å; L367-Q369 PolarHBondContact O-N 2.93Å; L367-M370 PolarHBondContact O-N 3.17Å; L367-T371 PolarHBondContact O-N 3.09Å; L367-T371 PolarHBondContact O-OG1 3.24Å; L367-T371 VanDerWaalsContact O-OG1 3.12Å; L367-L406 HydrophobicContact CG-CD1 4.29Å; L367-I409 HydrophobicContact CB-CG2 3.8Å; L367-I409 HydrophobicContact CD1-CG2 4.19Å; L367-I409 HydrophobicContact CG-CG2 4.3Å; L367-Y410 HydrophobicContact CD1-CD1 4.07Å; L367-Y410 HydrophobicContact CD1-CE1 3.78Å
368K96.9Very high94.7Very high86 Ų8651.2 Ų51.237%0.37425%0.247SC..Hα-helixtrans-57.5-47.7-179.9-71.2169.3179.31650111.6V275 D364 R365 M370 T371 D372V275-K368 HydrophobicContact CG1-CB 3.94Å; V275-K368 HydrophobicContact CG1-CD 4.21Å; V275-K368 HydrophobicContact CG2-CB 4.28Å; D364-K368 WeakPolarHBondContact O-CG 3.48Å; D364-K368 PolarHBondContact O-N 3.44Å; D364-K368 IonicContact OD1-NZ 2.79Å; D364-K368 VanDerWaalsContact OD2-CE 3.27Å; D364-K368 WeakPolarHBondContact OD2-CE 3.17Å; D364-K368 IonicContact OD2-NZ 2.7Å; D364-K368 PolarHBondContact OD2-NZ 3.25Å; R365-K368 PolarHBondContact O-N 3.42Å; K368-M370 VanDerWaalsContact C-N 3.33Å; K368-M370 PolarHBondContact O-N 3.17Å; K368-T371 WeakPolarHBondContact O-CB 3.43Å; K368-T371 PolarHBondContact O-N 2.69Å; K368-D372 PolarHBondContact O-N 3.45Å
369Q97.7Very high94.8Very high2 Ų245.4 Ų45.41%0.00923%0.23CC..Hα-helixtrans-63-37.7-179.2-174.671.880.200112.9A273 V275 L349 R365 L367 S373A273-Q369 PolarHBondContact O-NE2 3.03Å; A273-Q369 VanDerWaalsContact O-NE2 3.14Å; V275-Q369 HydrophobicContact CB-CB 4.31Å; V275-Q369 HydrophobicContact CG2-CB 4.04Å; L349-Q369 HydrophobicContact CB-CG 4.25Å; L349-Q369 HydrophobicContact CD2-CG 4.15Å; R365-Q369 WeakPolarHBondContact O-CB 3.46Å; R365-Q369 PolarHBondContact O-N 2.68Å; L367-Q369 PolarHBondContact O-N 2.93Å; Q369-S373 WeakPolarHBondContact O-CB 3.35Å; Q369-S373 PolarHBondContact O-N 3.25Å
370M97.8Very high94.8Very high0 Ų046.8 Ų46.80%025%0.248CC..Hα-helixtrans-73.1-35.7178.7-170.963.452.200111.5Y350 C353 A366 L367 K368 S373 I374 R402 C405 L406 I409Y350-M370 HydrophobicContact CD2-CE 3.85Å; Y350-M370 HydrophobicContact CD2-SD 4.4Å; C353-M370 HydrophobicContact CB-CE 3.3Å; A366-M370 VanDerWaalsContact O-CB 3.3Å; A366-M370 WeakPolarHBondContact O-CB 3.44Å; A366-M370 PolarHBondContact O-N 2.86Å; L367-M370 PolarHBondContact O-N 3.17Å; K368-M370 VanDerWaalsContact C-N 3.33Å; K368-M370 PolarHBondContact O-N 3.17Å; M370-S373 PolarHBondContact O-N 2.82Å; M370-I374 HydrophobicContact CG-CD1 4.31Å; M370-I374 WeakPolarHBondContact O-CD1 3.35Å; M370-I374 WeakPolarHBondContact O-CG1 3.32Å; M370-I374 PolarHBondContact O-N 2.9Å; M370-I374 VanDerWaalsContact O-N 3.13Å; M370-R402 HydrophobicContact SD-CB 3.99Å; M370-C405 HydrophobicContact CE-CB 4.19Å; M370-C405 HydrophobicContact SD-CB 4.22Å; M370-L406 HydrophobicContact CB-CB 4.43Å; M370-L406 HydrophobicContact CB-CD1 4.22Å; M370-L406 HydrophobicContact CG-CB 3.7Å; M370-L406 HydrophobicContact CG-CD1 4.41Å; M370-I409 HydrophobicContact CB-CD1 4.12Å; M370-I409 HydrophobicContact CG-CD1 4.49Å
371T97.3Very high94.7Very high39 Ų3946 Ų4624%0.23924%0.242CC..Hα-helixtrans-57.9-52.2169.9-58.10000110.5L367 K368 S373 I374 D375L367-T371 PolarHBondContact O-N 3.09Å; L367-T371 PolarHBondContact O-OG1 3.24Å; L367-T371 VanDerWaalsContact O-OG1 3.12Å; K368-T371 WeakPolarHBondContact O-CB 3.43Å; K368-T371 PolarHBondContact O-N 2.69Å; T371-S373 VanDerWaalsContact C-N 3.27Å; T371-S373 PolarHBondContact O-N 3.24Å; T371-I374 WeakPolarHBondContact O-CB 3.25Å; T371-I374 PolarHBondContact O-N 3.24Å; T371-D375 PolarHBondContact O-N 2.86Å
372D96Very high94.5Very high64 Ų6441.4 Ų41.434%0.34223%0.226SC..Hα-helixtrans-57.7-40.1177.9-65.2-10.7000112V275 K368 I374 D375 Q376V275-D372 WeakPolarHBondContact CG2-OD2 3.41Å; K368-D372 PolarHBondContact O-N 3.45Å; D372-I374 VanDerWaalsContact C-N 3.29Å; D372-I374 PolarHBondContact O-N 3.08Å; D372-D375 PolarHBondContact O-N 2.83Å; D372-Q376 WeakPolarHBondContact O-CB 3.14Å; D372-Q376 VanDerWaalsContact O-CG 3.25Å; D372-Q376 WeakPolarHBondContact O-CG 3.5Å; D372-Q376 PolarHBondContact O-N 3.06Å
373S95.9Very high94.3Very high4 Ų442 Ų423%0.02824%0.24CC..Hα-helixtrans-62.5-35.3177.5-173.60000112.9Q369 M370 T371 F377 R402Q369-S373 WeakPolarHBondContact O-CB 3.35Å; Q369-S373 PolarHBondContact O-N 3.25Å; M370-S373 PolarHBondContact O-N 2.82Å; T371-S373 VanDerWaalsContact C-N 3.27Å; T371-S373 PolarHBondContact O-N 3.24Å; S373-F377 PolarHBondContact O-N 3.04Å; S373-R402 PolarHBondContact O-NH1 3.47Å; S373-R402 PolarHBondContact OG-NH1 3.44Å
374I96.7Very high94.1Very high13 Ų1342.1 Ų42.17%0.06724%0.241CC..Hα-helixtrans-74.4-42.9177-69160.1000109.9M370 T371 D372 Q376 F377 Y378 I399 R402 E403 L406M370-I374 HydrophobicContact CG-CD1 4.31Å; M370-I374 WeakPolarHBondContact O-CD1 3.35Å; M370-I374 WeakPolarHBondContact O-CG1 3.32Å; M370-I374 PolarHBondContact O-N 2.9Å; M370-I374 VanDerWaalsContact O-N 3.13Å; T371-I374 WeakPolarHBondContact O-CB 3.25Å; T371-I374 PolarHBondContact O-N 3.24Å; D372-I374 VanDerWaalsContact C-N 3.29Å; D372-I374 PolarHBondContact O-N 3.08Å; I374-Q376 PolarHBondContact O-N 3.19Å; I374-F377 WeakPolarHBondContact O-CB 3.35Å; I374-F377 PolarHBondContact O-N 3.18Å; I374-F377 VanDerWaalsContact O-N 3.16Å; I374-Y378 HydrophobicContact CG2-CD2 4.44Å; I374-Y378 HydrophobicContact CG2-CE2 4.04Å; I374-Y378 VanDerWaalsContact O-CD2 3.25Å; I374-Y378 WeakPolarHBondContact O-CD2 3.4Å; I374-I399 HydrophobicContact CG1-CD1 4.24Å; I374-I399 HydrophobicContact CG2-CD1 4.34Å; I374-R402 HydrophobicContact CG1-CB 4.46Å; I374-E403 HydrophobicContact CD1-CB 4.41Å; I374-E403 HydrophobicContact CD1-CG 3.95Å; I374-E403 HydrophobicContact CG1-CG 4.15Å; I374-E403 HydrophobicContact CG2-CG 4.26Å; I374-L406 HydrophobicContact CD1-CB 3.83Å; I374-L406 HydrophobicContact CD1-CD2 3.55Å; I374-L406 HydrophobicContact CD1-CG 4.33Å
375D95.6Very high93.9Very high97 Ų9744.3 Ų44.352%0.51925%0.247SC..Hα-helixtrans-62.8-43.4178.8-68.3-19.7000111.4T371 D372 F377 Y378 D379T371-D375 PolarHBondContact O-N 2.86Å; D372-D375 PolarHBondContact O-N 2.83Å; D375-F377 PolarHBondContact O-N 3.28Å; D375-Y378 PolarHBondContact O-N 3.16Å; D375-D379 PolarHBondContact O-N 2.6Å
376Q93.3Very high93.6Very high37 Ų3746.9 Ų46.917%0.17326%0.26CS..Hα-helixtrans-60.4-30.8175.3-75.1172.73.300113.5D372 I374 Y378 D379 R387D372-Q376 WeakPolarHBondContact O-CB 3.14Å; D372-Q376 VanDerWaalsContact O-CG 3.25Å; D372-Q376 WeakPolarHBondContact O-CG 3.5Å; D372-Q376 PolarHBondContact O-N 3.06Å; I374-Q376 PolarHBondContact O-N 3.19Å; Q376-Y378 PolarHBondContact O-N 3.14Å; Q376-D379 PolarHBondContact O-N 2.95Å; Q376-R387 PolarHBondContact O-NH1 2.94Å; Q376-R387 PolarHBondContact O-NH2 3.47Å
377F95.5Very high93.3Very high0 Ų046.9 Ų46.90%026%0.26CS..Hα-helixtrans-61.7-35.1175.1170.6-92.9000111.5D75 G79 P80 P81 S373 I374 D375 R387 I399 R402D75-F377 WeakPolarHBondContact O-CZ 3.31Å; G79-F377 VanDerWaalsContact N-CE2 3.32Å; P80-F377 VanDerWaalsContact CA-O 3.28Å; P80-F377 WeakPolarHBondContact CA-O 3.46Å; P81-F377 HydrophobicContact CG-CE1 4.25Å; S373-F377 PolarHBondContact O-N 3.04Å; I374-F377 WeakPolarHBondContact O-CB 3.35Å; I374-F377 PolarHBondContact O-N 3.18Å; I374-F377 VanDerWaalsContact O-N 3.16Å; D375-F377 PolarHBondContact O-N 3.28Å; F377-R387 PolarHBondContact O-NH1 3.13Å; F377-I399 HydrophobicContact CB-CD1 3.79Å; F377-I399 HydrophobicContact CD1-CB 4.28Å; F377-I399 HydrophobicContact CD1-CD1 3.75Å; F377-I399 HydrophobicContact CD1-CG1 3.7Å; F377-I399 HydrophobicContact CD2-CB 4.3Å; F377-I399 HydrophobicContact CD2-CD1 4.22Å; F377-I399 HydrophobicContact CD2-CG1 4.42Å; F377-I399 HydrophobicContact CE1-CB 4.09Å; F377-I399 HydrophobicContact CE1-CD1 4.39Å; F377-I399 HydrophobicContact CE1-CG1 3.84Å; F377-I399 HydrophobicContact CE1-CG2 4.19Å; F377-I399 HydrophobicContact CE2-CB 4.08Å; F377-I399 HydrophobicContact CE2-CG2 4.5Å; F377-I399 HydrophobicContact CG-CB 4.38Å; F377-I399 HydrophobicContact CG-CD1 3.65Å; F377-I399 HydrophobicContact CG-CG1 4Å; F377-I399 HydrophobicContact CZ-CB 3.98Å; F377-I399 HydrophobicContact CZ-CG1 4.26Å; F377-I399 HydrophobicContact CZ-CG2 4Å; F377-R402 VanDerWaalsContact CD2-NH2 3.31Å
378Y95.1Very high93.2Very high88 Ų8845.7 Ų45.735%0.34525%0.254SS..Hα-helixtrans-90.9-17.3-179.8-64.5-72.1000113.9P81 R117 I374 D375 Q376 S380P81-Y378 HydrophobicContact CG-CD1 4.32Å; P81-Y378 HydrophobicContact CG-CE1 4.37Å; R117-Y378 PolarHBondContact NH2-OH 2.75Å; I374-Y378 HydrophobicContact CG2-CD2 4.44Å; I374-Y378 HydrophobicContact CG2-CE2 4.04Å; I374-Y378 VanDerWaalsContact O-CD2 3.25Å; I374-Y378 WeakPolarHBondContact O-CD2 3.4Å; D375-Y378 PolarHBondContact O-N 3.16Å; Q376-Y378 PolarHBondContact O-N 3.14Å; Y378-S380 PolarHBondContact O-N 3.3Å
379D92.2Very high92.8Very high61 Ų6142.4 Ų42.433%0.32624%0.24SC..  trans-59.7133.4175.3-178.213.4000111.1D375 Q376 S381 R387D375-D379 PolarHBondContact O-N 2.6Å; Q376-D379 PolarHBondContact O-N 2.95Å; D379-S381 VanDerWaalsContact OD1-CB 3.23Å; D379-S381 WeakPolarHBondContact OD1-CB 3.27Å; D379-S381 PolarHBondContact OD1-N 3.36Å; D379-S381 PolarHBondContact OD1-OG 3.06Å; D379-S381 VanDerWaalsContact OD1-OG 3.13Å; D379-S381 PolarHBondContact OD2-OG 2.98Å; D379-R387 PolarHBondContact O-NH1 3.07Å; D379-R387 PolarHBondContact O-NH2 3.14Å
380S90.8Very high92.6Very high103 Ų10343.2 Ų43.272%0.7224%0.243SC*.  trans-101.5-0.5177.958.60000113.9Y378 I382Y378-S380 PolarHBondContact O-N 3.3Å; S380-I382 VanDerWaalsContact C-N 3.34Å; S380-I382 PolarHBondContact O-N 2.59Å
381S88.7Confident92.4Very high91 Ų9143.5 Ų43.564%0.63625%0.245SC*.SBendtrans-65.8-33.8-178.976.80000113.3D379D379-S381 VanDerWaalsContact OD1-CB 3.23Å; D379-S381 WeakPolarHBondContact OD1-CB 3.27Å; D379-S381 PolarHBondContact OD1-N 3.36Å; D379-S381 PolarHBondContact OD1-OG 3.06Å; D379-S381 VanDerWaalsContact OD1-OG 3.13Å; D379-S381 PolarHBondContact OD2-OG 2.98Å
382I86.6Confident92.3Very high21 Ų2142.4 Ų42.411%0.10824%0.237CC..SBendtrans-94.9129.1-179.3-60.1155.2000109.9I270 S380 L386 R387I270-I382 HydrophobicContact CG2-CG2 3.84Å; I270-I382 VanDerWaalsContact O-CD1 3.28Å; I270-I382 WeakPolarHBondContact O-CD1 3.41Å; S380-I382 VanDerWaalsContact C-N 3.34Å; S380-I382 PolarHBondContact O-N 2.59Å; I382-L386 HydrophobicContact CG2-CB 4.47Å; I382-R387 HydrophobicContact CG2-CG 3.88Å; I382-R387 PolarHBondContact O-NE 3.5Å
383G87.4Confident92.3Very high42 Ų4239.4 Ų39.443%0.43322%0.222SC..  trans-60.8136.7-18000000113.9K385 L386 R387G383-K385 VanDerWaalsContact C-N 3.28Å; G383-K385 PolarHBondContact O-N 3.46Å; G383-L386 PolarHBondContact O-N 3.02Å; G383-L386 VanDerWaalsContact O-N 3.14Å; G383-R387 PolarHBondContact O-N 3.26Å
384V90.8Very high92.2Very high23 Ų2339.3 Ų39.314%0.13922%0.221CC..Hα-helixtrans-54.6-40.9-177.4-177.10000112.6L25 Q74 L386 R387 F388L25-V384 HydrophobicContact CD1-CG1 4.16Å; Q74-V384 HydrophobicContact CG-CG1 3.67Å; V384-L386 VanDerWaalsContact C-N 3.28Å; V384-L386 PolarHBondContact O-N 3.48Å; V384-R387 PolarHBondContact O-N 3.33Å; V384-R387 VanDerWaalsContact O-N 3.1Å; V384-F388 WeakPolarHBondContact O-CB 3.41Å; V384-F388 PolarHBondContact O-N 2.78Å
385K89.3Confident91.9Very high122 Ų12239.3 Ų39.353%0.5322%0.222SC..Hα-helixtrans-57.8-42.5-178.4-172.1173-179.3176.80111.5G383 R387 F388 N389G383-K385 VanDerWaalsContact C-N 3.28Å; G383-K385 PolarHBondContact O-N 3.46Å; K385-R387 VanDerWaalsContact C-N 3.32Å; K385-R387 PolarHBondContact O-N 3.12Å; K385-F388 PolarHBondContact O-N 3.33Å; K385-N389 VanDerWaalsContact O-CG 3.32Å; K385-N389 PolarHBondContact O-N 2.93Å; K385-N389 VanDerWaalsContact O-N 3.08Å; K385-N389 PolarHBondContact O-OD1 2.92Å
386L88.7Confident91.9Very high59 Ų5934.9 Ų34.931%0.30920%0.198SC..Hα-helixtrans-65.6-35.1179-63.5168.5000112.4I270 I382 G383 V384I270-L386 HydrophobicContact CD1-CD1 4.09Å; I270-L386 HydrophobicContact CG2-CB 4.39Å; I270-L386 HydrophobicContact CG2-CD1 3.94Å; I382-L386 HydrophobicContact CG2-CB 4.47Å; G383-L386 PolarHBondContact O-N 3.02Å; G383-L386 VanDerWaalsContact O-N 3.14Å; V384-L386 VanDerWaalsContact C-N 3.28Å; V384-L386 PolarHBondContact O-N 3.48Å
387R91.6Very high92Very high0 Ų033.5 Ų33.50%019%0.192CC..Hα-helixtrans-74.9-31.6176.7-57.8-176.1176.8-166.91.2113C78 G79 W342 Q376 F377 D379 I382 G383 V384 K385C78-R387 HydrophobicContact CB-CB 4.08Å; G79-R387 VanDerWaalsContact O-CD 3.25Å; G79-R387 WeakPolarHBondContact O-CD 3.42Å; W342-R387 HydrophobicContact CD2-CB 3.92Å; W342-R387 HydrophobicContact CD2-CG 3.76Å; W342-R387 HydrophobicContact CE3-CB 3.7Å; W342-R387 HydrophobicContact CE3-CG 4.07Å; W342-R387 HydrophobicContact CG-CB 4.44Å; W342-R387 HydrophobicContact CG-CG 4.05Å; W342-R387 HydrophobicContact CZ2-CG 4.41Å; W342-R387 HydrophobicContact CZ3-CB 4.07Å; Q376-R387 PolarHBondContact O-NH1 2.94Å; Q376-R387 PolarHBondContact O-NH2 3.47Å; F377-R387 PolarHBondContact O-NH1 3.13Å; D379-R387 PolarHBondContact O-NH1 3.07Å; D379-R387 PolarHBondContact O-NH2 3.14Å; I382-R387 HydrophobicContact CG2-CG 3.88Å; I382-R387 PolarHBondContact O-NE 3.5Å; G383-R387 PolarHBondContact O-N 3.26Å; V384-R387 PolarHBondContact O-N 3.33Å; V384-R387 VanDerWaalsContact O-N 3.1Å; K385-R387 VanDerWaalsContact C-N 3.32Å; K385-R387 PolarHBondContact O-N 3.12Å
388F92.6Very high92.1Very high7 Ų733.5 Ų33.53%0.03119%0.192CC..Hα-helixtrans-80.6-29.3-176.7-165.9-93.1000112.6L25 S70 V73 V384 K385 Y390 V391 F392L25-F388 HydrophobicContact CD1-CB 3.86Å; L25-F388 HydrophobicContact CD1-CD1 4.21Å; L25-F388 HydrophobicContact CD1-CG 3.98Å; L25-F388 HydrophobicContact CD2-CB 4.17Å; L25-F388 HydrophobicContact CD2-CD1 3.86Å; L25-F388 HydrophobicContact CD2-CD2 3.37Å; L25-F388 HydrophobicContact CD2-CE1 4.07Å; L25-F388 HydrophobicContact CD2-CE2 3.58Å; L25-F388 HydrophobicContact CD2-CG 3.52Å; L25-F388 HydrophobicContact CD2-CZ 3.93Å; L25-F388 HydrophobicContact CG-CD1 4.42Å; L25-F388 HydrophobicContact CG-CG 4.3Å; S70-F388 WeakPolarHBondContact OG-CZ 3.33Å; V73-F388 HydrophobicContact CB-CE2 4.09Å; V73-F388 HydrophobicContact CG1-CD2 4.45Å; V73-F388 HydrophobicContact CG1-CE2 3.82Å; V384-F388 WeakPolarHBondContact O-CB 3.41Å; V384-F388 PolarHBondContact O-N 2.78Å; K385-F388 PolarHBondContact O-N 3.33Å; F388-Y390 PolarHBondContact O-N 3.3Å; F388-V391 HydrophobicContact CD1-CG1 4.35Å; F388-V391 HydrophobicContact CD2-CG1 3.89Å; F388-V391 HydrophobicContact CE1-CG1 4.28Å; F388-V391 HydrophobicContact CE2-CG1 3.83Å; F388-V391 HydrophobicContact CG-CG1 4.16Å; F388-V391 HydrophobicContact CZ-CG1 4.03Å; F388-V391 VanDerWaalsContact O-CB 3.29Å; F388-V391 WeakPolarHBondContact O-CB 3.3Å; F388-V391 VanDerWaalsContact O-CG1 3.28Å; F388-V391 WeakPolarHBondContact O-CG1 3.42Å; F388-V391 PolarHBondContact O-N 2.56Å; F388-F392 HydrophobicContact CE1-CE2 4.28Å; F388-F392 AromaticContact CZ-CE2 3.76Å; F388-F392 HydrophobicContact CZ-CE2 3.76Å; F388-F392 HydrophobicContact CZ-CZ 4.41Å
389N89.9Confident92.2Very high17 Ų1729.4 Ų29.49%0.09118%0.176CC..THydrogen-bonded Turntrans-50.7125.1174.8-74.94.1000110.2N341 A343 K385 V391N341-N389 PolarHBondContact ND2-O 3.42Å; A343-N389 WeakPolarHBondContact CB-O 3.31Å; K385-N389 VanDerWaalsContact O-CG 3.32Å; K385-N389 PolarHBondContact O-N 2.93Å; K385-N389 VanDerWaalsContact O-N 3.08Å; K385-N389 PolarHBondContact O-OD1 2.92Å; N389-V391 PolarHBondContact O-N 3.27Å
390Y92.4Very high92.5Very high19 Ų1927.2 Ų27.28%0.07516%0.163CC..THydrogen-bonded Turntrans63.612-178.5-52.2-94.9000116K189 L193 A301 A302 F388 F392 A393 S394K189-Y390 WeakPolarHBondContact CE-OH 3.47Å; K189-Y390 PolarHBondContact NZ-OH 2.85Å; L193-Y390 HydrophobicContact CD1-CD1 4.33Å; L193-Y390 HydrophobicContact CD1-CE1 4.23Å; L193-Y390 HydrophobicContact CD2-CD1 3.5Å; L193-Y390 VanDerWaalsContact CD2-CD1 3.5Å; L193-Y390 HydrophobicContact CD2-CE1 3.66Å; A301-Y390 HydrophobicContact CB-CD1 4.4Å; A301-Y390 HydrophobicContact CB-CD2 3.87Å; A301-Y390 HydrophobicContact CB-CE1 4.09Å; A301-Y390 HydrophobicContact CB-CE2 3.54Å; A301-Y390 HydrophobicContact CB-CG 4.32Å; A302-Y390 HydrophobicContact CB-CE1 4.17Å; F388-Y390 PolarHBondContact O-N 3.3Å; Y390-F392 VanDerWaalsContact C-N 3.27Å; Y390-F392 PolarHBondContact O-N 2.98Å; Y390-F392 VanDerWaalsContact O-N 3.17Å; Y390-A393 PolarHBondContact O-N 2.91Å; Y390-A393 VanDerWaalsContact O-N 3.11Å; Y390-S394 WeakPolarHBondContact O-CB 3.21Å; Y390-S394 PolarHBondContact O-N 3.07Å; Y390-S394 PolarHBondContact O-OG 3.46Å
391V95.1Very high92.7Very high6 Ų624.2 Ų24.24%0.03614%0.141CC..THydrogen-bonded Turntrans-56.6-36.5-176.671.60000113.9V73 F77 C78 F388 N389 S394 L396V73-V391 HydrophobicContact CG1-CG1 3.8Å; V73-V391 HydrophobicContact CG1-CG2 3.95Å; F77-V391 HydrophobicContact CB-CG2 4.44Å; C78-V391 HydrophobicContact CB-CG2 4.12Å; F388-V391 HydrophobicContact CD1-CG1 4.35Å; F388-V391 HydrophobicContact CD2-CG1 3.89Å; F388-V391 HydrophobicContact CE1-CG1 4.28Å; F388-V391 HydrophobicContact CE2-CG1 3.83Å; F388-V391 HydrophobicContact CG-CG1 4.16Å; F388-V391 HydrophobicContact CZ-CG1 4.03Å; F388-V391 VanDerWaalsContact O-CB 3.29Å; F388-V391 WeakPolarHBondContact O-CB 3.3Å; F388-V391 VanDerWaalsContact O-CG1 3.28Å; F388-V391 WeakPolarHBondContact O-CG1 3.42Å; F388-V391 PolarHBondContact O-N 2.56Å; N389-V391 PolarHBondContact O-N 3.27Å; V391-S394 PolarHBondContact O-OG 2.72Å; V391-L396 HydrophobicContact CG2-CB 4.25Å; V391-L396 HydrophobicContact CG2-CD2 3.99Å
392F95.4Very high93.1Very high16 Ų1619.9 Ų19.97%0.0711%0.11CC..THydrogen-bonded Turntrans-74.4-45.7176.5-65.7-76.5000111.6L69 V73 R149 R152 V153 E197 F388 Y390 C395L69-F392 HydrophobicContact CD2-CZ 4.42Å; V73-F392 HydrophobicContact CG2-CE1 3.9Å; V73-F392 HydrophobicContact CG2-CZ 3.87Å; R149-F392 HydrophobicContact CB-CD1 4.33Å; R149-F392 HydrophobicContact CB-CE1 4.06Å; R149-F392 HydrophobicContact CG-CD1 3.94Å; R149-F392 HydrophobicContact CG-CE1 4.1Å; R149-F392 HydrophobicContact CG-CG 4.37Å; R152-F392 PolarHBondContact NH1-O 2.7Å; V153-F392 HydrophobicContact CG2-CE1 4.25Å; E197-F392 VanDerWaalsContact CD-CB 3.47Å; E197-F392 HydrophobicContact CG-CB 4.08Å; E197-F392 WeakPolarHBondContact OE1-CB 3.41Å; F388-F392 HydrophobicContact CE1-CE2 4.28Å; F388-F392 AromaticContact CZ-CE2 3.76Å; F388-F392 HydrophobicContact CZ-CE2 3.76Å; F388-F392 HydrophobicContact CZ-CZ 4.41Å; Y390-F392 VanDerWaalsContact C-N 3.27Å; Y390-F392 PolarHBondContact O-N 2.98Å; Y390-F392 VanDerWaalsContact O-N 3.17Å; F392-C395 PolarHBondContact O-N 2.79Å
393A95Very high93.7Very high2 Ų219.4 Ų19.42%0.01711%0.108CC..THydrogen-bonded Turntrans-68.5-35.3-178.700000112.8L193 I196 E197 C305 Y390 C395L193-A393 HydrophobicContact CD2-CB 3.78Å; I196-A393 HydrophobicContact CG2-CB 4.03Å; I196-A393 WeakPolarHBondContact CG2-O 3.25Å; E197-A393 HydrophobicContact CG-CB 4.48Å; C305-A393 HydrophobicContact CB-CB 4.19Å; Y390-A393 PolarHBondContact O-N 2.91Å; Y390-A393 VanDerWaalsContact O-N 3.11Å; A393-C395 PolarHBondContact O-N 2.62Å; A393-C395 PolarHBondContact O-SG 2.75Å
394S94.2Very high94.1Very high1 Ų118.8 Ų18.81%0.00710%0.095CC..THydrogen-bonded Turntrans-71.1-12.2176.3720000113.4A343 A347 Y390 V391 L396A343-S394 PolarHBondContact O-OG 3.32Å; A347-S394 VanDerWaalsContact CB-O 3.25Å; A347-S394 WeakPolarHBondContact CB-O 3.37Å; Y390-S394 WeakPolarHBondContact O-CB 3.21Å; Y390-S394 PolarHBondContact O-N 3.07Å; Y390-S394 PolarHBondContact O-OG 3.46Å; V391-S394 PolarHBondContact O-OG 2.72Å; S394-L396 PolarHBondContact O-N 3.26Å
395C89.5Confident94.4Very high13 Ų1317.8 Ų17.89%0.0889%0.089CC..THydrogen-bonded Turntrans57.236.6-177.3-54.50000113.3R152 E200 F392 A393 P397R152-C395 PolarHBondContact NH2-SG 2.68Å; E200-C395 VanDerWaalsContact CB-SG 3.54Å; E200-C395 HydrophobicContact CG-CB 4.21Å; F392-C395 PolarHBondContact O-N 2.79Å; A393-C395 PolarHBondContact O-N 2.62Å; A393-C395 PolarHBondContact O-SG 2.75Å; C395-P397 WeakPolarHBondContact O-CD 3.11Å
396L95.6Very high94.8Very high4 Ų412.5 Ų12.52%0.0217%0.067CC..PPolyproline II helixtrans-56.5123.6179.7-177.367.7000110.3F77 C78 W342 T346 A347 V391 S394F77-L396 VanDerWaalsContact CD1-O 3.26Å; F77-L396 WeakPolarHBondContact CD1-O 3.29Å; F77-L396 WeakPolarHBondContact O-CD2 3.32Å; C78-L396 HydrophobicContact CB-CD2 4.11Å; W342-L396 HydrophobicContact CH2-CD2 4.37Å; W342-L396 HydrophobicContact CZ3-CD2 3.76Å; T346-L396 HydrophobicContact CG2-CD1 3.49Å; T346-L396 VanDerWaalsContact CG2-CD1 3.49Å; A347-L396 HydrophobicContact CB-CD1 4.38Å; V391-L396 HydrophobicContact CG2-CB 4.25Å; V391-L396 HydrophobicContact CG2-CD2 3.99Å; S394-L396 PolarHBondContact O-N 3.26Å
397P96.1Very high95.2Very high8 Ų89.7 Ų9.75%0.0525%0.052CC..PPolyproline II helixtrans-71.5150.5175.427.6-36.5000111.9Y350 C395 V401 R402Y350-P397 HydrophobicContact CD1-CG 3.68Å; Y350-P397 HydrophobicContact CD2-CG 3.8Å; Y350-P397 HydrophobicContact CE1-CB 4.45Å; Y350-P397 HydrophobicContact CE1-CG 3.77Å; Y350-P397 HydrophobicContact CE2-CG 3.89Å; Y350-P397 HydrophobicContact CG-CG 3.69Å; C395-P397 WeakPolarHBondContact O-CD 3.11Å; P397-V401 HydrophobicContact CB-CB 4.04Å; P397-V401 HydrophobicContact CB-CG1 3.77Å; P397-R402 HydrophobicContact CG-CG 3.9Å; P397-R402 PolarHBondContact O-NE 3.36Å
398P97.6Very high95.4Very high0 Ų010.5 Ų10.50%06%0.057CC..PPolyproline II helixtrans-64.4158.9176.429.7-36.3000111.5N76 F77 H156 W400 V401 R402N76-P398 CarbonylContact O-C 3.6Å; N76-P398 VanDerWaalsContact O-CA 3.32Å; N76-P398 WeakPolarHBondContact O-CA 3.24Å; F77-P398 HydrophobicContact CD1-CB 4.06Å; F77-P398 HydrophobicContact CD2-CB 4.19Å; F77-P398 HydrophobicContact CE1-CB 3.88Å; F77-P398 HydrophobicContact CE1-CG 4.15Å; F77-P398 HydrophobicContact CE2-CB 4Å; F77-P398 HydrophobicContact CG-CB 4.21Å; F77-P398 HydrophobicContact CZ-CB 3.84Å; F77-P398 HydrophobicContact CZ-CG 4.22Å; H156-P398 HydrophobicContact CB-CG 4.18Å; P398-W400 VanDerWaalsContact C-N 3.29Å; P398-W400 HydrophobicContact CB-CD2 3.84Å; P398-W400 HydrophobicContact CB-CE3 4Å; P398-W400 HydrophobicContact CB-CH2 3.62Å; P398-W400 HydrophobicContact CB-CZ2 3.44Å; P398-W400 VanDerWaalsContact CB-CZ2 3.44Å; P398-W400 HydrophobicContact CB-CZ3 3.91Å; P398-W400 HydrophobicContact CG-CD2 4.05Å; P398-W400 HydrophobicContact CG-CH2 4.18Å; P398-W400 HydrophobicContact CG-CZ2 3.47Å; P398-W400 VanDerWaalsContact CG-CZ2 3.47Å; P398-W400 PolarHBondContact O-N 2.83Å; P398-V401 HydrophobicContact CG-CB 4.2Å; P398-V401 HydrophobicContact CG-CG2 3.74Å; P398-V401 WeakPolarHBondContact O-CB 3.46Å; P398-V401 PolarHBondContact O-N 2.8Å; P398-R402 PolarHBondContact O-N 2.77Å
399I97.7Very high95.6Very high2 Ų210.2 Ų10.21%0.016%0.055CC..Hα-helixtrans-56.3-39.7-172.7-172.157.9000112.9N76 I374 F377 V401 R402 E403N76-I399 WeakPolarHBondContact O-CG2 3.37Å; N76-I399 PolarHBondContact O-N 2.7Å; I374-I399 HydrophobicContact CG1-CD1 4.24Å; I374-I399 HydrophobicContact CG2-CD1 4.34Å; F377-I399 HydrophobicContact CB-CD1 3.79Å; F377-I399 HydrophobicContact CD1-CB 4.28Å; F377-I399 HydrophobicContact CD1-CD1 3.75Å; F377-I399 HydrophobicContact CD1-CG1 3.7Å; F377-I399 HydrophobicContact CD2-CB 4.3Å; F377-I399 HydrophobicContact CD2-CD1 4.22Å; F377-I399 HydrophobicContact CD2-CG1 4.42Å; F377-I399 HydrophobicContact CE1-CB 4.09Å; F377-I399 HydrophobicContact CE1-CD1 4.39Å; F377-I399 HydrophobicContact CE1-CG1 3.84Å; F377-I399 HydrophobicContact CE1-CG2 4.19Å; F377-I399 HydrophobicContact CE2-CB 4.08Å; F377-I399 HydrophobicContact CE2-CG2 4.5Å; F377-I399 HydrophobicContact CG-CB 4.38Å; F377-I399 HydrophobicContact CG-CD1 3.65Å; F377-I399 HydrophobicContact CG-CG1 4Å; F377-I399 HydrophobicContact CZ-CB 3.98Å; F377-I399 HydrophobicContact CZ-CG1 4.26Å; F377-I399 HydrophobicContact CZ-CG2 4Å; I399-V401 VanDerWaalsContact C-N 3.27Å; I399-V401 PolarHBondContact O-N 3.41Å; I399-R402 CarbonylContact O-C 3.29Å; I399-R402 WeakPolarHBondContact O-CB 3.47Å; I399-R402 PolarHBondContact O-N 3.09Å; I399-E403 HydrophobicContact CD1-CG 4.4Å; I399-E403 HydrophobicContact CG1-CG 4.3Å; I399-E403 WeakPolarHBondContact O-CG 3.44Å; I399-E403 PolarHBondContact O-N 3.22Å
400W96.8Very high96Very high15 Ų1512.2 Ų12.26%0.0576%0.062CC..Hα-helixtrans-65.6-28.8178.257.887.8000113.1N76 Y113 C116 H156 L157 P398 T404 L426N76-W400 HydrophobicContact CB-CH2 4.03Å; N76-W400 HydrophobicContact CB-CZ3 3.64Å; N76-W400 WeakPolarHBondContact OD1-CZ3 3.32Å; Y113-W400 HydrophobicContact CD1-CB 4.33Å; Y113-W400 AromaticContact CD1-CD2 3.56Å; Y113-W400 HydrophobicContact CD1-CD2 3.56Å; Y113-W400 AromaticContact CD1-CE2 3.86Å; Y113-W400 AromaticContact CD1-CE3 3.84Å; Y113-W400 HydrophobicContact CD1-CE3 3.84Å; Y113-W400 AromaticContact CD1-CG 3.78Å; Y113-W400 HydrophobicContact CD1-CG 3.78Å; Y113-W400 HydrophobicContact CD1-CZ2 4.42Å; Y113-W400 HydrophobicContact CD1-CZ3 4.35Å; Y113-W400 HydrophobicContact CE1-CB 3.45Å; Y113-W400 VanDerWaalsContact CE1-CB 3.45Å; Y113-W400 AromaticContact CE1-CD2 3.51Å; Y113-W400 HydrophobicContact CE1-CD2 3.51Å; Y113-W400 AromaticContact CE1-CE3 3.73Å; Y113-W400 HydrophobicContact CE1-CE3 3.73Å; Y113-W400 AromaticContact CE1-CG 3.39Å; Y113-W400 HydrophobicContact CE1-CG 3.39Å; Y113-W400 AromaticContact CZ-CG 3.91Å; Y113-W400 WeakPolarHBondContact OH-CB 3.11Å; C116-W400 HydrophobicContact CB-CH2 4.13Å; C116-W400 HydrophobicContact CB-CZ3 4.01Å; H156-W400 HydrophobicContact CB-CZ2 4.43Å; H156-W400 PolarHBondContact O-NE1 3.49Å; L157-W400 HydrophobicContact CD2-CH2 3.76Å; L157-W400 HydrophobicContact CD2-CZ2 3.73Å; P398-W400 VanDerWaalsContact C-N 3.29Å; P398-W400 HydrophobicContact CB-CD2 3.84Å; P398-W400 HydrophobicContact CB-CE3 4Å; P398-W400 HydrophobicContact CB-CH2 3.62Å; P398-W400 HydrophobicContact CB-CZ2 3.44Å; P398-W400 VanDerWaalsContact CB-CZ2 3.44Å; P398-W400 HydrophobicContact CB-CZ3 3.91Å; P398-W400 HydrophobicContact CG-CD2 4.05Å; P398-W400 HydrophobicContact CG-CH2 4.18Å; P398-W400 HydrophobicContact CG-CZ2 3.47Å; P398-W400 VanDerWaalsContact CG-CZ2 3.47Å; P398-W400 PolarHBondContact O-N 2.83Å; W400-T404 WeakPolarHBondContact O-CB 3.26Å; W400-T404 PolarHBondContact O-N 3.39Å; W400-T404 PolarHBondContact O-OG1 3.3Å; W400-L426 HydrophobicContact CB-CD2 4.36Å
401V96.7Very high96.1Very high40 Ų4013.2 Ų13.224%0.2427%0.067CC..Hα-helixtrans-72-35.3173.9170.80000110.6Y350 P397 P398 I399 C405Y350-V401 HydrophobicContact CE2-CG1 4.19Å; Y350-V401 WeakPolarHBondContact OH-CG1 3.29Å; P397-V401 HydrophobicContact CB-CB 4.04Å; P397-V401 HydrophobicContact CB-CG1 3.77Å; P398-V401 HydrophobicContact CG-CB 4.2Å; P398-V401 HydrophobicContact CG-CG2 3.74Å; P398-V401 WeakPolarHBondContact O-CB 3.46Å; P398-V401 PolarHBondContact O-N 2.8Å; I399-V401 VanDerWaalsContact C-N 3.27Å; I399-V401 PolarHBondContact O-N 3.41Å; V401-C405 WeakPolarHBondContact O-CB 3.4Å; V401-C405 PolarHBondContact O-N 3.35Å
402R97.3Very high96Very high0 Ų014.7 Ų14.70%08%0.078CC..Hα-helixtrans-70-44.8174-63.7-168.2-82.5144.1-2.7111.6F77 Y350 M370 S373 I374 F377 P397 P398 I399 T404 C405 L406F77-R402 PolarHBondContact O-NH2 3.21Å; Y350-R402 HydrophobicContact CD2-CG 3.98Å; Y350-R402 HydrophobicContact CE2-CG 4.42Å; M370-R402 HydrophobicContact SD-CB 3.99Å; S373-R402 PolarHBondContact O-NH1 3.47Å; S373-R402 PolarHBondContact OG-NH1 3.44Å; I374-R402 HydrophobicContact CG1-CB 4.46Å; F377-R402 VanDerWaalsContact CD2-NH2 3.31Å; P397-R402 HydrophobicContact CG-CG 3.9Å; P397-R402 PolarHBondContact O-NE 3.36Å; P398-R402 PolarHBondContact O-N 2.77Å; I399-R402 CarbonylContact O-C 3.29Å; I399-R402 WeakPolarHBondContact O-CB 3.47Å; I399-R402 PolarHBondContact O-N 3.09Å; R402-T404 VanDerWaalsContact C-N 3.34Å; R402-T404 PolarHBondContact O-N 2.94Å; R402-C405 WeakPolarHBondContact O-CA 3.48Å; R402-C405 VanDerWaalsContact O-CB 3.25Å; R402-C405 WeakPolarHBondContact O-CB 3.49Å; R402-C405 PolarHBondContact O-N 3.44Å; R402-L406 PolarHBondContact O-N 3.17Å
403E97.4Very high95.9Very high11 Ų1117.8 Ų17.85%0.05110%0.098CC..Hα-helixtrans-62.4-39.7173.3-68.3-177109.900112.1I374 I399 C405 L406 A407 R425 L426I374-E403 HydrophobicContact CD1-CB 4.41Å; I374-E403 HydrophobicContact CD1-CG 3.95Å; I374-E403 HydrophobicContact CG1-CG 4.15Å; I374-E403 HydrophobicContact CG2-CG 4.26Å; I399-E403 HydrophobicContact CD1-CG 4.4Å; I399-E403 HydrophobicContact CG1-CG 4.3Å; I399-E403 WeakPolarHBondContact O-CG 3.44Å; I399-E403 PolarHBondContact O-N 3.22Å; E403-C405 VanDerWaalsContact C-N 3.28Å; E403-C405 PolarHBondContact O-N 3.48Å; E403-L406 PolarHBondContact O-N 3.08Å; E403-A407 PolarHBondContact O-N 3.11Å; E403-R425 IonicContact OE1-CZ 2.73Å; E403-R425 VanDerWaalsContact OE1-CZ 3.32Å; E403-R425 IonicContact OE1-NH1 3.58Å; E403-R425 PolarHBondContact OE1-NH1 2.69Å; E403-R425 IonicContact OE1-NH2 3.48Å; E403-R425 PolarHBondContact OE1-NH2 3.33Å; E403-L426 HydrophobicContact CB-CD1 3.81Å; E403-L426 HydrophobicContact CB-CD2 3.82Å; E403-L426 HydrophobicContact CB-CG 4.36Å; E403-L426 HydrophobicContact CG-CD2 4.49Å; E403-L426 WeakPolarHBondContact OE2-CD2 3.44Å
404T96.8Very high95.7Very high29 Ų2919.3 Ų19.318%0.17811%0.113CC..Hα-helixtrans-63-36.5172.9-60.30000111W400 R402 A407 D408 F423 F431W400-T404 WeakPolarHBondContact O-CB 3.26Å; W400-T404 PolarHBondContact O-N 3.39Å; W400-T404 PolarHBondContact O-OG1 3.3Å; R402-T404 VanDerWaalsContact C-N 3.34Å; R402-T404 PolarHBondContact O-N 2.94Å; T404-A407 PolarHBondContact O-N 2.75Å; T404-D408 WeakPolarHBondContact O-CB 3.37Å; T404-D408 PolarHBondContact O-N 3.13Å; T404-F423 HydrophobicContact CG2-CE1 4Å; T404-F431 HydrophobicContact CG2-CD2 4.33Å; T404-F431 HydrophobicContact CG2-CE2 3.85Å; T404-F431 HydrophobicContact CG2-CZ 4.17Å
405C96.5Very high95.7Very high2 Ų221.4 Ų21.41%0.01413%0.128CC..Hα-helixtrans-64.3-44.8174.3-174.90000111.8Y350 Q354 M370 V401 R402 E403 A407 D408 I409Y350-C405 HydrophobicContact CE2-CB 4.14Å; Q354-C405 PolarHBondContact NE2-SG 3.45Å; M370-C405 HydrophobicContact CE-CB 4.19Å; M370-C405 HydrophobicContact SD-CB 4.22Å; V401-C405 WeakPolarHBondContact O-CB 3.4Å; V401-C405 PolarHBondContact O-N 3.35Å; R402-C405 WeakPolarHBondContact O-CA 3.48Å; R402-C405 VanDerWaalsContact O-CB 3.25Å; R402-C405 WeakPolarHBondContact O-CB 3.49Å; R402-C405 PolarHBondContact O-N 3.44Å; E403-C405 VanDerWaalsContact C-N 3.28Å; E403-C405 PolarHBondContact O-N 3.48Å; C405-A407 VanDerWaalsContact C-N 3.33Å; C405-A407 PolarHBondContact O-N 3.36Å; C405-D408 PolarHBondContact O-N 3.35Å; C405-I409 VanDerWaalsContact O-CG1 3.32Å; C405-I409 WeakPolarHBondContact O-CG1 3.49Å; C405-I409 PolarHBondContact O-N 2.92Å
406L97.8Very high95.9Very high11 Ų1121.5 Ų21.56%0.05813%0.129CC..Hα-helixtrans-60.2-45.4176-179.858.4000111L367 M370 I374 R402 E403 D408 I409 Y410 M422L367-L406 HydrophobicContact CG-CD1 4.29Å; M370-L406 HydrophobicContact CB-CB 4.43Å; M370-L406 HydrophobicContact CB-CD1 4.22Å; M370-L406 HydrophobicContact CG-CB 3.7Å; M370-L406 HydrophobicContact CG-CD1 4.41Å; I374-L406 HydrophobicContact CD1-CB 3.83Å; I374-L406 HydrophobicContact CD1-CD2 3.55Å; I374-L406 HydrophobicContact CD1-CG 4.33Å; R402-L406 PolarHBondContact O-N 3.17Å; E403-L406 PolarHBondContact O-N 3.08Å; L406-D408 VanDerWaalsContact C-N 3.33Å; L406-D408 PolarHBondContact O-N 2.71Å; L406-I409 WeakPolarHBondContact O-CB 3.22Å; L406-I409 PolarHBondContact O-N 3.33Å; L406-I409 VanDerWaalsContact O-N 3.13Å; L406-Y410 HydrophobicContact CD1-CD2 4.08Å; L406-Y410 HydrophobicContact CD1-CE2 3.71Å; L406-Y410 HydrophobicContact CD2-CE2 4.3Å; L406-Y410 HydrophobicContact CG-CD2 4.04Å; L406-Y410 HydrophobicContact CG-CE2 3.8Å; L406-Y410 WeakPolarHBondContact O-CD2 3.21Å; L406-Y410 PolarHBondContact O-N 3.46Å; L406-M422 HydrophobicContact CB-CE 3.95Å; L406-M422 HydrophobicContact CD2-CE 3.64Å; L406-M422 HydrophobicContact CG-CE 3.71Å; L406-M422 HydrophobicContact CG-SD 4.33Å
407A97.4Very high95.8Very high0 Ų025.3 Ų25.30%015%0.149CC..Hα-helixtrans-62.2-37.1175.800000112.7E403 T404 C405 I409 Y410 F411 A419 M422 F423E403-A407 PolarHBondContact O-N 3.11Å; T404-A407 PolarHBondContact O-N 2.75Å; C405-A407 VanDerWaalsContact C-N 3.33Å; C405-A407 PolarHBondContact O-N 3.36Å; A407-I409 VanDerWaalsContact C-N 3.34Å; A407-Y410 PolarHBondContact O-N 2.71Å; A407-F411 WeakPolarHBondContact O-CB 3.33Å; A407-F411 PolarHBondContact O-N 2.92Å; A407-A419 WeakPolarHBondContact O-CB 3.24Å; A407-M422 HydrophobicContact CB-CB 3.72Å; A407-M422 HydrophobicContact CB-CE 4.22Å; A407-M422 HydrophobicContact CB-SD 4.06Å; A407-F423 HydrophobicContact CB-CD1 3.66Å; A407-F423 HydrophobicContact CB-CD2 4.31Å; A407-F423 HydrophobicContact CB-CE1 3.31Å; A407-F423 HydrophobicContact CB-CE2 4Å; A407-F423 HydrophobicContact CB-CG 4.15Å; A407-F423 HydrophobicContact CB-CZ 3.5Å; A407-F423 VanDerWaalsContact CB-CZ 3.5Å
408D96.4Very high95.7Very high18 Ų1828.9 Ų28.910%0.09617%0.165CC..Hα-helixtrans-67.8-31.6174.1-170.345.4000112.3K357 T404 C405 L406 F411 S412 F423K357-D408 WeakPolarHBondContact CD-OD2 3.38Å; K357-D408 WeakPolarHBondContact CE-OD2 2.99Å; K357-D408 IonicContact NZ-OD2 2.95Å; K357-D408 PolarHBondContact NZ-OD2 2.99Å; T404-D408 WeakPolarHBondContact O-CB 3.37Å; T404-D408 PolarHBondContact O-N 3.13Å; C405-D408 PolarHBondContact O-N 3.35Å; L406-D408 VanDerWaalsContact C-N 3.33Å; L406-D408 PolarHBondContact O-N 2.71Å; D408-F411 PolarHBondContact O-N 3.4Å; D408-S412 WeakPolarHBondContact O-CB 3.48Å; D408-S412 PolarHBondContact O-N 2.89Å; D408-F423 HydrophobicContact CB-CZ 4.46Å
409I96.9Very high95.7Very high0 Ų028.9 Ų28.90%017%0.165CC..Hα-helixtrans-68.1-48.2172-65.5160.5000110.4K357 V363 A366 L367 M370 C405 L406 A407 F411 S412 V413K357-I409 HydrophobicContact CB-CD1 4.31Å; K357-I409 HydrophobicContact CB-CG1 3.46Å; K357-I409 VanDerWaalsContact CB-CG1 3.46Å; V363-I409 HydrophobicContact CG2-CG2 3.83Å; A366-I409 HydrophobicContact CB-CD1 4.25Å; L367-I409 HydrophobicContact CB-CG2 3.8Å; L367-I409 HydrophobicContact CD1-CG2 4.19Å; L367-I409 HydrophobicContact CG-CG2 4.3Å; M370-I409 HydrophobicContact CB-CD1 4.12Å; M370-I409 HydrophobicContact CG-CD1 4.49Å; C405-I409 VanDerWaalsContact O-CG1 3.32Å; C405-I409 WeakPolarHBondContact O-CG1 3.49Å; C405-I409 PolarHBondContact O-N 2.92Å; L406-I409 WeakPolarHBondContact O-CB 3.22Å; L406-I409 PolarHBondContact O-N 3.33Å; L406-I409 VanDerWaalsContact O-N 3.13Å; A407-I409 VanDerWaalsContact C-N 3.34Å; I409-F411 PolarHBondContact O-N 3.19Å; I409-S412 PolarHBondContact O-N 3.34Å; I409-S412 VanDerWaalsContact O-N 3.1Å; I409-S412 PolarHBondContact O-OG 3.13Å; I409-V413 WeakPolarHBondContact O-CG2 3.35Å; I409-V413 PolarHBondContact O-N 3.39Å
410Y96.9Very high95.6Very high59 Ų5929.7 Ų29.723%0.23117%0.169CC..Hα-helixtrans-56.8-42.5173.3-82.4-70000111.5L367 L406 A407 S412 V413 G414 C415 E418 M422L367-Y410 HydrophobicContact CD1-CD1 4.07Å; L367-Y410 HydrophobicContact CD1-CE1 3.78Å; L406-Y410 HydrophobicContact CD1-CD2 4.08Å; L406-Y410 HydrophobicContact CD1-CE2 3.71Å; L406-Y410 HydrophobicContact CD2-CE2 4.3Å; L406-Y410 HydrophobicContact CG-CD2 4.04Å; L406-Y410 HydrophobicContact CG-CE2 3.8Å; L406-Y410 WeakPolarHBondContact O-CD2 3.21Å; L406-Y410 PolarHBondContact O-N 3.46Å; A407-Y410 PolarHBondContact O-N 2.71Å; Y410-S412 PolarHBondContact O-N 2.84Å; Y410-V413 PolarHBondContact O-N 2.75Å; Y410-G414 PolarHBondContact O-N 2.87Å; Y410-G414 VanDerWaalsContact O-N 3.17Å; Y410-C415 HydrophobicContact CD1-CB 3.73Å; Y410-C415 HydrophobicContact CG-CB 4.42Å; Y410-C415 WeakPolarHBondContact O-CB 3.47Å; Y410-C415 PolarHBondContact O-N 3.32Å; Y410-E418 HydrophobicContact CD1-CB 4.2Å; Y410-E418 HydrophobicContact CG-CB 4.37Å; Y410-M422 HydrophobicContact CD2-SD 3.68Å; Y410-M422 HydrophobicContact CE2-SD 3.96Å
411F95.1Very high95.6Very high40 Ų4035.6 Ų35.618%0.17520%0.197CC..Hα-helixtrans-61.2-45.2175.4-173.4-105.6000111.4A407 D408 I409 V413 G414 A419 F423 C435 R438A407-F411 WeakPolarHBondContact O-CB 3.33Å; A407-F411 PolarHBondContact O-N 2.92Å; D408-F411 PolarHBondContact O-N 3.4Å; I409-F411 PolarHBondContact O-N 3.19Å; F411-V413 PolarHBondContact O-N 2.62Å; F411-G414 PolarHBondContact O-N 3.24Å; F411-G414 VanDerWaalsContact O-N 3.16Å; F411-A419 HydrophobicContact CB-CB 3.85Å; F411-A419 HydrophobicContact CD2-CB 4.43Å; F411-F423 HydrophobicContact CB-CE2 4.38Å; F411-C435 VanDerWaalsContact CD2-SG 3.59Å; F411-R438 HydrophobicContact CE2-CB 4.05Å; F411-R438 HydrophobicContact CE2-CG 4.36Å; F411-R438 HydrophobicContact CZ-CB 4.06Å; F411-R438 HydrophobicContact CZ-CG 4.35Å; F411-R438 PolarHBondContact O-NH1 3.45Å
412S93.9Very high95.6Very high38 Ų3834.9 Ų34.927%0.26619%0.192SC..Hα-helixtrans-63.7-40.3-178.3740000112.8K357 D408 I409 Y410 G414K357-S412 VanDerWaalsContact O-CB 3.32Å; K357-S412 WeakPolarHBondContact O-CB 3.34Å; K357-S412 PolarHBondContact O-OG 2.96Å; D408-S412 WeakPolarHBondContact O-CB 3.48Å; D408-S412 PolarHBondContact O-N 2.89Å; I409-S412 PolarHBondContact O-N 3.34Å; I409-S412 VanDerWaalsContact O-N 3.1Å; I409-S412 PolarHBondContact O-OG 3.13Å; Y410-S412 PolarHBondContact O-N 2.84Å; S412-G414 PolarHBondContact O-N 3.16Å
413V93.1Very high95.5Very high80 Ų8035 Ų3549%0.48519%0.192SC..Hα-helixtrans-70.3-19.2177.3-179.80000112.1V363 I409 Y410 F411V363-V413 HydrophobicContact CB-CG2 4.37Å; V363-V413 HydrophobicContact CG1-CG2 4.02Å; V363-V413 HydrophobicContact CG2-CG2 3.41Å; V363-V413 VanDerWaalsContact CG2-CG2 3.41Å; I409-V413 WeakPolarHBondContact O-CG2 3.35Å; I409-V413 PolarHBondContact O-N 3.39Å; Y410-V413 PolarHBondContact O-N 2.75Å; F411-V413 PolarHBondContact O-N 2.62Å
414G90.9Very high95.4Very high34 Ų3436.9 Ų36.935%0.35121%0.205SC..THydrogen-bonded Turntrans106.6-2.4176.300000114.7Y410 F411 S412 S416Y410-G414 PolarHBondContact O-N 2.87Å; Y410-G414 VanDerWaalsContact O-N 3.17Å; F411-G414 PolarHBondContact O-N 3.24Å; F411-G414 VanDerWaalsContact O-N 3.16Å; S412-G414 PolarHBondContact O-N 3.16Å; G414-S416 PolarHBondContact O-N 3.35Å; G414-S416 PolarHBondContact O-OG 2.62Å
415C93.5Very high95.4Very high45 Ų4542.8 Ų42.830%0.30422%0.224SC..  trans-68.667.6171.1-62.90000111Y410 N417 E418 A419Y410-C415 HydrophobicContact CD1-CB 3.73Å; Y410-C415 HydrophobicContact CG-CB 4.42Å; Y410-C415 WeakPolarHBondContact O-CB 3.47Å; Y410-C415 PolarHBondContact O-N 3.32Å; C415-N417 VanDerWaalsContact C-N 3.34Å; C415-N417 PolarHBondContact O-N 3.41Å; C415-E418 VanDerWaalsContact C-OE2 3.26Å; C415-E418 WeakPolarHBondContact CA-OE2 3.48Å; C415-E418 HydrophobicContact CB-CB 4.42Å; C415-E418 VanDerWaalsContact CB-OE2 3.29Å; C415-E418 WeakPolarHBondContact CB-OE2 3.42Å; C415-A419 WeakPolarHBondContact O-CB 3.45Å; C415-A419 PolarHBondContact O-N 3.48Å; C415-A419 VanDerWaalsContact O-N 3.1Å
416S93Very high95.3Very high16 Ų1642.9 Ų42.911%0.11222%0.224CC..Hα-helixtrans-73.7-24.7-169.4-57.80000112.9G414 L420G414-S416 PolarHBondContact O-N 3.35Å; G414-S416 PolarHBondContact O-OG 2.62Å; S416-L420 WeakPolarHBondContact O-CB 3.45Å; S416-L420 PolarHBondContact O-N 3.38Å
417N93.5Very high95Very high83 Ų8347 Ų4744%0.44424%0.242SC..Hα-helixtrans-74.5-47.5177.9-68.8-38.4000110.6C415 A419 L420 E421 M439C415-N417 VanDerWaalsContact C-N 3.34Å; C415-N417 PolarHBondContact O-N 3.41Å; N417-A419 VanDerWaalsContact C-N 3.34Å; N417-A419 PolarHBondContact O-N 2.85Å; N417-L420 WeakPolarHBondContact O-CB 3.28Å; N417-L420 PolarHBondContact O-N 2.9Å; N417-L420 VanDerWaalsContact O-N 3.14Å; N417-E421 WeakPolarHBondContact O-CG 3.47Å; N417-E421 PolarHBondContact O-N 3.31Å; N417-M439 WeakPolarHBondContact OD1-CE 3.38Å
418E95.2Very high94.7Very high84 Ų8448 Ų4839%0.39325%0.249SC..Hα-helixtrans-61.6-46177.5-61.973.7-166.200109.8Y410 C415 L420 E421 M422Y410-E418 HydrophobicContact CD1-CB 4.2Å; Y410-E418 HydrophobicContact CG-CB 4.37Å; C415-E418 VanDerWaalsContact C-OE2 3.26Å; C415-E418 WeakPolarHBondContact CA-OE2 3.48Å; C415-E418 HydrophobicContact CB-CB 4.42Å; C415-E418 VanDerWaalsContact CB-OE2 3.29Å; C415-E418 WeakPolarHBondContact CB-OE2 3.42Å; E418-L420 VanDerWaalsContact C-N 3.33Å; E418-L420 PolarHBondContact O-N 3.4Å; E418-E421 PolarHBondContact O-N 3.14Å; E418-M422 VanDerWaalsContact O-CG 3.29Å; E418-M422 WeakPolarHBondContact O-CG 3.38Å; E418-M422 PolarHBondContact O-N 3.22Å
419A96.4Very high94.5Very high0 Ų047.9 Ų47.90%025%0.248CC..Hα-helixtrans-58.7-44.3173.600000112A407 F411 C415 N417 M422 F423A407-A419 WeakPolarHBondContact O-CB 3.24Å; F411-A419 HydrophobicContact CB-CB 3.85Å; F411-A419 HydrophobicContact CD2-CB 4.43Å; C415-A419 WeakPolarHBondContact O-CB 3.45Å; C415-A419 PolarHBondContact O-N 3.48Å; C415-A419 VanDerWaalsContact O-N 3.1Å; N417-A419 VanDerWaalsContact C-N 3.34Å; N417-A419 PolarHBondContact O-N 2.85Å; A419-M422 PolarHBondContact O-N 3.35Å; A419-F423 HydrophobicContact CB-CD2 4.25Å; A419-F423 HydrophobicContact CB-CE2 3.97Å; A419-F423 WeakPolarHBondContact O-CB 3.33Å; A419-F423 WeakPolarHBondContact O-CD2 3.34Å; A419-F423 VanDerWaalsContact O-CG 3.27Å; A419-F423 WeakPolarHBondContact O-CG 3.46Å; A419-F423 PolarHBondContact O-N 2.93Å
420L96.3Very high94.1Very high18 Ų1849.8 Ų49.89%0.09426%0.258CS..Hα-helixtrans-61.1-45.6177.517466.2000112.1S416 N417 E418 F423 T424 V432 C435 Y436 M439S416-L420 WeakPolarHBondContact O-CB 3.45Å; S416-L420 PolarHBondContact O-N 3.38Å; N417-L420 WeakPolarHBondContact O-CB 3.28Å; N417-L420 PolarHBondContact O-N 2.9Å; N417-L420 VanDerWaalsContact O-N 3.14Å; E418-L420 VanDerWaalsContact C-N 3.33Å; E418-L420 PolarHBondContact O-N 3.4Å; L420-F423 PolarHBondContact O-N 3.08Å; L420-T424 VanDerWaalsContact O-CB 3.3Å; L420-T424 WeakPolarHBondContact O-CB 3.43Å; L420-T424 PolarHBondContact O-N 3.41Å; L420-T424 PolarHBondContact O-OG1 2.95Å; L420-V432 HydrophobicContact CD1-CB 4.27Å; L420-V432 HydrophobicContact CD1-CG1 3.7Å; L420-C435 HydrophobicContact CB-CB 4.01Å; L420-C435 HydrophobicContact CD1-CB 3.92Å; L420-Y436 HydrophobicContact CD1-CD2 4.29Å; L420-Y436 HydrophobicContact CD1-CE1 4.25Å; L420-Y436 HydrophobicContact CD1-CE2 3.92Å; L420-Y436 HydrophobicContact CD2-CD1 4.22Å; L420-Y436 HydrophobicContact CD2-CE1 3.58Å; L420-M439 HydrophobicContact CD2-SD 4.36Å
421E96.1Very high93.9Very high139 Ų13949.8 Ų49.865%0.6526%0.259SS*.Hα-helixtrans-60.6-46.3177.2-73.6177.4-172.900111.2N417 E418 T424 R425N417-E421 WeakPolarHBondContact O-CG 3.47Å; N417-E421 PolarHBondContact O-N 3.31Å; E418-E421 PolarHBondContact O-N 3.14Å; E421-T424 PolarHBondContact O-N 2.99Å; E421-R425 PolarHBondContact O-N 3.36Å
422M96.5Very high93.8Very high26 Ų2648 Ų4813%0.12825%0.251CS..Hα-helixtrans-62.5-48.5176.7-68.6-17676.800112.3L406 A407 Y410 E418 A419 T424 R425 L426L406-M422 HydrophobicContact CB-CE 3.95Å; L406-M422 HydrophobicContact CD2-CE 3.64Å; L406-M422 HydrophobicContact CG-CE 3.71Å; L406-M422 HydrophobicContact CG-SD 4.33Å; A407-M422 HydrophobicContact CB-CB 3.72Å; A407-M422 HydrophobicContact CB-CE 4.22Å; A407-M422 HydrophobicContact CB-SD 4.06Å; Y410-M422 HydrophobicContact CD2-SD 3.68Å; Y410-M422 HydrophobicContact CE2-SD 3.96Å; E418-M422 VanDerWaalsContact O-CG 3.29Å; E418-M422 WeakPolarHBondContact O-CG 3.38Å; E418-M422 PolarHBondContact O-N 3.22Å; A419-M422 PolarHBondContact O-N 3.35Å; M422-T424 VanDerWaalsContact C-N 3.26Å; M422-T424 PolarHBondContact O-N 3.45Å; M422-R425 PolarHBondContact O-N 3.3Å; M422-L426 WeakPolarHBondContact O-CG 3.45Å; M422-L426 PolarHBondContact O-N 3.23Å
423F96.6Very high93.7Very high1 Ų146.4 Ų46.40%0.00424%0.24CC..Hα-helixtrans-63.6-33.3178-69.5-49.8000112.1T404 A407 D408 F411 A419 L420 L426 K427 A428 F431 V432T404-F423 HydrophobicContact CG2-CE1 4Å; A407-F423 HydrophobicContact CB-CD1 3.66Å; A407-F423 HydrophobicContact CB-CD2 4.31Å; A407-F423 HydrophobicContact CB-CE1 3.31Å; A407-F423 HydrophobicContact CB-CE2 4Å; A407-F423 HydrophobicContact CB-CG 4.15Å; A407-F423 HydrophobicContact CB-CZ 3.5Å; A407-F423 VanDerWaalsContact CB-CZ 3.5Å; D408-F423 HydrophobicContact CB-CZ 4.46Å; F411-F423 HydrophobicContact CB-CE2 4.38Å; A419-F423 HydrophobicContact CB-CD2 4.25Å; A419-F423 HydrophobicContact CB-CE2 3.97Å; A419-F423 WeakPolarHBondContact O-CB 3.33Å; A419-F423 WeakPolarHBondContact O-CD2 3.34Å; A419-F423 VanDerWaalsContact O-CG 3.27Å; A419-F423 WeakPolarHBondContact O-CG 3.46Å; A419-F423 PolarHBondContact O-N 2.93Å; L420-F423 PolarHBondContact O-N 3.08Å; F423-L426 CarbonylContact O-C 3.6Å; F423-L426 PolarHBondContact O-N 3.37Å; F423-K427 WeakPolarHBondContact O-CA 3.45Å; F423-K427 PolarHBondContact O-N 3.39Å; F423-A428 HydrophobicContact CB-CB 4.48Å; F423-A428 HydrophobicContact CD1-CB 4.2Å; F423-A428 PolarHBondContact O-N 3.4Å; F423-F431 HydrophobicContact CB-CB 4.09Å; F423-F431 HydrophobicContact CD1-CB 3.45Å; F423-F431 VanDerWaalsContact CD1-CB 3.45Å; F423-F431 HydrophobicContact CD1-CD2 4.22Å; F423-F431 AromaticContact CD1-CG 3.91Å; F423-F431 HydrophobicContact CD1-CG 3.91Å; F423-F431 HydrophobicContact CD2-CB 3.5Å; F423-F431 HydrophobicContact CE1-CB 3.59Å; F423-F431 AromaticContact CE1-CD1 3.99Å; F423-F431 HydrophobicContact CE1-CD1 3.99Å; F423-F431 HydrophobicContact CE1-CD2 4.07Å; F423-F431 AromaticContact CE1-CG 3.64Å; F423-F431 HydrophobicContact CE1-CG 3.64Å; F423-F431 HydrophobicContact CE2-CB 3.66Å; F423-F431 HydrophobicContact CE2-CD1 4.35Å; F423-F431 HydrophobicContact CE2-CG 4.29Å; F423-F431 HydrophobicContact CG-CB 3.41Å; F423-F431 VanDerWaalsContact CG-CB 3.41Å; F423-F431 HydrophobicContact CG-CG 4.36Å; F423-F431 HydrophobicContact CZ-CB 3.7Å; F423-F431 AromaticContact CZ-CD1 3.81Å; F423-F431 HydrophobicContact CZ-CD1 3.81Å; F423-F431 AromaticContact CZ-CG 3.85Å; F423-F431 HydrophobicContact CZ-CG 3.85Å; F423-V432 HydrophobicContact CB-CG2 3.75Å
424T95.2Very high93.7Very high52 Ų5247.6 Ų47.632%0.31924%0.238SC..Hα-helixtrans-68.8-43.1175.3-56.10000111L420 E421 M422 L426 K427 W429L420-T424 VanDerWaalsContact O-CB 3.3Å; L420-T424 WeakPolarHBondContact O-CB 3.43Å; L420-T424 PolarHBondContact O-N 3.41Å; L420-T424 PolarHBondContact O-OG1 2.95Å; E421-T424 PolarHBondContact O-N 2.99Å; M422-T424 VanDerWaalsContact C-N 3.26Å; M422-T424 PolarHBondContact O-N 3.45Å; T424-L426 VanDerWaalsContact C-N 3.32Å; T424-L426 PolarHBondContact O-N 3.24Å; T424-K427 WeakPolarHBondContact O-CA 3.38Å; T424-K427 WeakPolarHBondContact O-CG 3.06Å; T424-K427 PolarHBondContact O-N 2.84Å; T424-W429 HydrophobicContact CG2-CH2 4.32Å; T424-W429 HydrophobicContact CG2-CZ3 4.28Å
425R95.5Very high93.8Very high152 Ų15246 Ų4657%0.57422%0.222SC*.Hα-helixtrans-60.2-41174-179174.464.497.94.1112.1E403 E421 M422 K427E403-R425 IonicContact OE1-CZ 2.73Å; E403-R425 VanDerWaalsContact OE1-CZ 3.32Å; E403-R425 IonicContact OE1-NH1 3.58Å; E403-R425 PolarHBondContact OE1-NH1 2.69Å; E403-R425 IonicContact OE1-NH2 3.48Å; E403-R425 PolarHBondContact OE1-NH2 3.33Å; E421-R425 PolarHBondContact O-N 3.36Å; M422-R425 PolarHBondContact O-N 3.3Å; R425-K427 PolarHBondContact O-N 3.33Å
426L94.8Very high93.9Very high5 Ų545.2 Ų45.23%0.02621%0.213CC..THydrogen-bonded Turntrans-75.2-8.8173.7-65.5170.9000113Y113 W400 E403 M422 F423 T424 A428Y113-L426 WeakPolarHBondContact CE2-O 3.38Å; Y113-L426 PolarHBondContact OH-O 2.86Å; W400-L426 HydrophobicContact CB-CD2 4.36Å; E403-L426 HydrophobicContact CB-CD1 3.81Å; E403-L426 HydrophobicContact CB-CD2 3.82Å; E403-L426 HydrophobicContact CB-CG 4.36Å; E403-L426 HydrophobicContact CG-CD2 4.49Å; E403-L426 WeakPolarHBondContact OE2-CD2 3.44Å; M422-L426 WeakPolarHBondContact O-CG 3.45Å; M422-L426 PolarHBondContact O-N 3.23Å; F423-L426 CarbonylContact O-C 3.6Å; F423-L426 PolarHBondContact O-N 3.37Å; T424-L426 VanDerWaalsContact C-N 3.32Å; T424-L426 PolarHBondContact O-N 3.24Å; L426-A428 HydrophobicContact CB-CB 4.22Å; L426-A428 PolarHBondContact O-N 3.16Å
427K92.2Very high93.7Very high98 Ų9848.9 Ų48.943%0.42623%0.227SC..THydrogen-bonded Turntrans51.137.2-173.3-54.7178.8173.6-177.60112.2Q114 F423 T424 R425 W429Q114-K427 HydrophobicContact CG-CB 4.29Å; Q114-K427 HydrophobicContact CG-CD 3.75Å; F423-K427 WeakPolarHBondContact O-CA 3.45Å; F423-K427 PolarHBondContact O-N 3.39Å; T424-K427 WeakPolarHBondContact O-CA 3.38Å; T424-K427 WeakPolarHBondContact O-CG 3.06Å; T424-K427 PolarHBondContact O-N 2.84Å; R425-K427 PolarHBondContact O-N 3.33Å; K427-W429 VanDerWaalsContact C-N 3.28Å; K427-W429 HydrophobicContact CB-CZ2 3.9Å; K427-W429 HydrophobicContact CG-CZ2 4.03Å; K427-W429 PolarHBondContact O-N 3.03Å; K427-W429 VanDerWaalsContact O-N 3.14Å; K427-W429 PolarHBondContact O-NE1 3.4Å
428A91.3Very high93.6Very high19 Ų1951 Ų5116%0.15723%0.229CC..  trans-86.868.4177.800000109.2F423 L426 D430 F431 V432F423-A428 HydrophobicContact CB-CB 4.48Å; F423-A428 HydrophobicContact CD1-CB 4.2Å; F423-A428 PolarHBondContact O-N 3.4Å; L426-A428 HydrophobicContact CB-CB 4.22Å; L426-A428 PolarHBondContact O-N 3.16Å; A428-D430 PolarHBondContact O-N 2.9Å; A428-D430 VanDerWaalsContact O-N 3.14Å; A428-F431 HydrophobicContact CB-CD2 4.03Å; A428-F431 PolarHBondContact O-N 3.25Å; A428-V432 PolarHBondContact O-N 3.01Å; A428-V432 VanDerWaalsContact O-N 3.14Å
429W91.2Very high93.5Very high17 Ų1749.3 Ų49.36%0.06422%0.221CC..Hα-helixtrans-58.5-31.5-167.5-58.1114.4000114.2T424 K427 F431 V432 I433 V448 L452 M461 Y464T424-W429 HydrophobicContact CG2-CH2 4.32Å; T424-W429 HydrophobicContact CG2-CZ3 4.28Å; K427-W429 VanDerWaalsContact C-N 3.28Å; K427-W429 HydrophobicContact CB-CZ2 3.9Å; K427-W429 HydrophobicContact CG-CZ2 4.03Å; K427-W429 PolarHBondContact O-N 3.03Å; K427-W429 VanDerWaalsContact O-N 3.14Å; K427-W429 PolarHBondContact O-NE1 3.4Å; W429-F431 PolarHBondContact O-N 2.91Å; W429-V432 HydrophobicContact CE3-CB 4.1Å; W429-V432 HydrophobicContact CE3-CG1 4.06Å; W429-V432 HydrophobicContact CE3-CG2 3.92Å; W429-V432 HydrophobicContact CZ3-CG1 4.32Å; W429-V432 HydrophobicContact CZ3-CG2 4.29Å; W429-V432 PolarHBondContact O-N 3.05Å; W429-I433 WeakPolarHBondContact O-CD1 3.45Å; W429-I433 VanDerWaalsContact O-CG1 3.24Å; W429-I433 WeakPolarHBondContact O-CG1 3.19Å; W429-I433 PolarHBondContact O-N 3.38Å; W429-V448 HydrophobicContact CZ3-CG1 3.93Å; W429-L452 HydrophobicContact CD2-CD1 3.82Å; W429-L452 HydrophobicContact CE3-CD1 3.87Å; W429-L452 HydrophobicContact CH2-CD1 3.56Å; W429-L452 HydrophobicContact CH2-CD2 4.04Å; W429-L452 HydrophobicContact CH2-CG 4.35Å; W429-L452 HydrophobicContact CZ2-CD1 3.46Å; W429-L452 VanDerWaalsContact CZ2-CD1 3.46Å; W429-L452 HydrophobicContact CZ2-CD2 3.81Å; W429-L452 HydrophobicContact CZ2-CG 4.28Å; W429-L452 HydrophobicContact CZ3-CD1 3.76Å; W429-M461 HydrophobicContact CG-CE 4.24Å; W429-Y464 HydrophobicContact CB-CD2 3.96Å; W429-Y464 HydrophobicContact CB-CE1 4.45Å; W429-Y464 HydrophobicContact CB-CE2 3.38Å; W429-Y464 HydrophobicContact CG-CE2 4.11Å
430D89.2Confident93.2Very high40 Ų4052.2 Ų52.221%0.21425%0.251CS..Hα-helixtrans-46.8-46.6167.5-87.7-42.8000113.6A428 K434 Y464 R488A428-D430 PolarHBondContact O-N 2.9Å; A428-D430 VanDerWaalsContact O-N 3.14Å; D430-K434 VanDerWaalsContact O-CG 3.29Å; D430-K434 WeakPolarHBondContact O-CG 3.4Å; D430-K434 PolarHBondContact O-N 3.36Å; D430-Y464 WeakPolarHBondContact OD1-CE1 3.21Å; D430-R488 VanDerWaalsContact CG-NH1 3.28Å; D430-R488 IonicContact OD1-CZ 3.11Å; D430-R488 IonicContact OD1-NH1 3.74Å; D430-R488 PolarHBondContact OD1-NH1 3.32Å; D430-R488 IonicContact OD1-NH2 2.83Å; D430-R488 PolarHBondContact OD1-NH2 2.91Å; D430-R488 IonicContact OD2-NH1 2.69Å; D430-R488 PolarHBondContact OD2-NH1 3.45Å; D430-R488 VanDerWaalsContact OD2-NH1 3.13Å
431F92.4Very high93.1Very high58 Ų5855.4 Ų55.425%0.25426%0.264SS..Hα-helixtrans-84-34.6-178.1-65.7-82.6000111.7T404 F423 A428 W429 I433 K434 C435T404-F431 HydrophobicContact CG2-CD2 4.33Å; T404-F431 HydrophobicContact CG2-CE2 3.85Å; T404-F431 HydrophobicContact CG2-CZ 4.17Å; F423-F431 HydrophobicContact CB-CB 4.09Å; F423-F431 HydrophobicContact CD1-CB 3.45Å; F423-F431 VanDerWaalsContact CD1-CB 3.45Å; F423-F431 HydrophobicContact CD1-CD2 4.22Å; F423-F431 AromaticContact CD1-CG 3.91Å; F423-F431 HydrophobicContact CD1-CG 3.91Å; F423-F431 HydrophobicContact CD2-CB 3.5Å; F423-F431 HydrophobicContact CE1-CB 3.59Å; F423-F431 AromaticContact CE1-CD1 3.99Å; F423-F431 HydrophobicContact CE1-CD1 3.99Å; F423-F431 HydrophobicContact CE1-CD2 4.07Å; F423-F431 AromaticContact CE1-CG 3.64Å; F423-F431 HydrophobicContact CE1-CG 3.64Å; F423-F431 HydrophobicContact CE2-CB 3.66Å; F423-F431 HydrophobicContact CE2-CD1 4.35Å; F423-F431 HydrophobicContact CE2-CG 4.29Å; F423-F431 HydrophobicContact CG-CB 3.41Å; F423-F431 VanDerWaalsContact CG-CB 3.41Å; F423-F431 HydrophobicContact CG-CG 4.36Å; F423-F431 HydrophobicContact CZ-CB 3.7Å; F423-F431 AromaticContact CZ-CD1 3.81Å; F423-F431 HydrophobicContact CZ-CD1 3.81Å; F423-F431 AromaticContact CZ-CG 3.85Å; F423-F431 HydrophobicContact CZ-CG 3.85Å; A428-F431 HydrophobicContact CB-CD2 4.03Å; A428-F431 PolarHBondContact O-N 3.25Å; W429-F431 PolarHBondContact O-N 2.91Å; F431-I433 VanDerWaalsContact C-N 3.29Å; F431-I433 PolarHBondContact O-N 2.87Å; F431-K434 HydrophobicContact CD1-CD 4.29Å; F431-K434 CarbonylContact O-C 3.42Å; F431-K434 WeakPolarHBondContact O-CB 3.34Å; F431-K434 PolarHBondContact O-N 3.38Å; F431-K434 VanDerWaalsContact O-N 3.14Å; F431-C435 PolarHBondContact O-N 3.38Å; F431-C435 PolarHBondContact O-SG 3.44Å; F431-C435 VanDerWaalsContact O-SG 3.4Å
432V94.2Very high92.9Very high2 Ų252.5 Ų52.51%0.01225%0.253CS..Hα-helixtrans-54.6-47171.2173.50000110.8L420 F423 A428 W429 C435 Y436L420-V432 HydrophobicContact CD1-CB 4.27Å; L420-V432 HydrophobicContact CD1-CG1 3.7Å; F423-V432 HydrophobicContact CB-CG2 3.75Å; A428-V432 PolarHBondContact O-N 3.01Å; A428-V432 VanDerWaalsContact O-N 3.14Å; W429-V432 HydrophobicContact CE3-CB 4.1Å; W429-V432 HydrophobicContact CE3-CG1 4.06Å; W429-V432 HydrophobicContact CE3-CG2 3.92Å; W429-V432 HydrophobicContact CZ3-CG1 4.32Å; W429-V432 HydrophobicContact CZ3-CG2 4.29Å; W429-V432 PolarHBondContact O-N 3.05Å; V432-C435 WeakPolarHBondContact O-CB 3.46Å; V432-C435 PolarHBondContact O-N 3.02Å; V432-Y436 HydrophobicContact CG1-CD2 3.89Å; V432-Y436 HydrophobicContact CG1-CE2 3.58Å; V432-Y436 WeakPolarHBondContact O-CD2 3.01Å; V432-Y436 PolarHBondContact O-N 3.36Å
433I91.9Very high92.8Very high5 Ų555 Ų553%0.02628%0.277CS..Hα-helixtrans-65.7-40.9178.2-65.2164.8000111W429 F431 C435 Y436 K437 I449 Y464 I468W429-I433 WeakPolarHBondContact O-CD1 3.45Å; W429-I433 VanDerWaalsContact O-CG1 3.24Å; W429-I433 WeakPolarHBondContact O-CG1 3.19Å; W429-I433 PolarHBondContact O-N 3.38Å; F431-I433 VanDerWaalsContact C-N 3.29Å; F431-I433 PolarHBondContact O-N 2.87Å; I433-C435 VanDerWaalsContact C-N 3.33Å; I433-C435 PolarHBondContact O-N 3.36Å; I433-Y436 PolarHBondContact O-N 3.26Å; I433-K437 HydrophobicContact CG2-CD 4.02Å; I433-K437 HydrophobicContact CG2-CG 4.38Å; I433-K437 WeakPolarHBondContact O-CB 3.48Å; I433-K437 WeakPolarHBondContact O-CG 3.43Å; I433-K437 PolarHBondContact O-N 3.04Å; I433-I449 HydrophobicContact CD1-CD1 4.27Å; I433-Y464 HydrophobicContact CD1-CD1 3.2Å; I433-Y464 HydrophobicContact CD1-CD2 4.26Å; I433-Y464 HydrophobicContact CD1-CE1 3.95Å; I433-Y464 HydrophobicContact CD1-CG 3.41Å; I433-Y464 VanDerWaalsContact CD1-CG 3.41Å; I433-I468 HydrophobicContact CD1-CD1 4.14Å; I433-I468 HydrophobicContact CD1-CG1 4.48Å; I433-I468 HydrophobicContact CG1-CD1 4.08Å; I433-I468 HydrophobicContact CG1-CG1 4.43Å; I433-I468 HydrophobicContact CG2-CD1 4.4Å; I433-I468 HydrophobicContact CG2-CG1 3.86Å
434K91.8Very high92.6Very high105 Ų10560.5 Ų60.546%0.45730%0.301SS..Hα-helixtrans-61.5-40.2174.1-73.6170.6-171.8168.90112D430 F431 K437 R438D430-K434 VanDerWaalsContact O-CG 3.29Å; D430-K434 WeakPolarHBondContact O-CG 3.4Å; D430-K434 PolarHBondContact O-N 3.36Å; F431-K434 HydrophobicContact CD1-CD 4.29Å; F431-K434 CarbonylContact O-C 3.42Å; F431-K434 WeakPolarHBondContact O-CB 3.34Å; F431-K434 PolarHBondContact O-N 3.38Å; F431-K434 VanDerWaalsContact O-N 3.14Å; K434-K437 PolarHBondContact O-N 2.92Å; K434-R438 WeakPolarHBondContact O-CB 3.47Å; K434-R438 PolarHBondContact O-N 3.08Å
435C93.5Very high92.5Very high0 Ų058.1 Ų58.10%029%0.287CS..Hα-helixtrans-59.8-52.5173.9-730000110.9F411 L420 F431 V432 I433 K437 R438 M439F411-C435 VanDerWaalsContact CD2-SG 3.59Å; L420-C435 HydrophobicContact CB-CB 4.01Å; L420-C435 HydrophobicContact CD1-CB 3.92Å; F431-C435 PolarHBondContact O-N 3.38Å; F431-C435 PolarHBondContact O-SG 3.44Å; F431-C435 VanDerWaalsContact O-SG 3.4Å; V432-C435 WeakPolarHBondContact O-CB 3.46Å; V432-C435 PolarHBondContact O-N 3.02Å; I433-C435 VanDerWaalsContact C-N 3.33Å; I433-C435 PolarHBondContact O-N 3.36Å; C435-K437 VanDerWaalsContact C-N 3.33Å; C435-K437 PolarHBondContact O-N 3.47Å; C435-R438 PolarHBondContact O-N 3.41Å; C435-M439 WeakPolarHBondContact O-CB 2.91Å; C435-M439 WeakPolarHBondContact O-CG 3.39Å; C435-M439 PolarHBondContact O-N 3.39Å
436Y94.6Very high92.5Very high29 Ų2953.5 Ų53.511%0.11427%0.272CS..Hα-helixtrans-61.5-39177.6-73.8-52.7000113.3L420 V432 I433 M439 G440 K441 K444 A445 V448L420-Y436 HydrophobicContact CD1-CD2 4.29Å; L420-Y436 HydrophobicContact CD1-CE1 4.25Å; L420-Y436 HydrophobicContact CD1-CE2 3.92Å; L420-Y436 HydrophobicContact CD2-CD1 4.22Å; L420-Y436 HydrophobicContact CD2-CE1 3.58Å; V432-Y436 HydrophobicContact CG1-CD2 3.89Å; V432-Y436 HydrophobicContact CG1-CE2 3.58Å; V432-Y436 WeakPolarHBondContact O-CD2 3.01Å; V432-Y436 PolarHBondContact O-N 3.36Å; I433-Y436 PolarHBondContact O-N 3.26Å; Y436-M439 CarbonylContact O-C 3.39Å; Y436-M439 PolarHBondContact O-N 2.97Å; Y436-G440 PolarHBondContact O-N 2.96Å; Y436-K441 HydrophobicContact CD1-CB 4Å; Y436-K441 PolarHBondContact O-N 3.28Å; Y436-K444 HydrophobicContact CD1-CB 4.2Å; Y436-K444 HydrophobicContact CE1-CB 3.94Å; Y436-A445 HydrophobicContact CD2-CB 3.54Å; Y436-A445 HydrophobicContact CE2-CB 4.42Å; Y436-A445 HydrophobicContact CG-CB 3.85Å; Y436-V448 HydrophobicContact CE2-CG2 4.27Å
437K90.4Very high92.5Very high94 Ų9456.4 Ų56.441%0.40929%0.293SS..Hα-helixtrans-59.4-48.5173.9-80.6177.7176.6-175.20111.5I433 K434 C435 M439 G440 L442 E467I433-K437 HydrophobicContact CG2-CD 4.02Å; I433-K437 HydrophobicContact CG2-CG 4.38Å; I433-K437 WeakPolarHBondContact O-CB 3.48Å; I433-K437 WeakPolarHBondContact O-CG 3.43Å; I433-K437 PolarHBondContact O-N 3.04Å; K434-K437 PolarHBondContact O-N 2.92Å; C435-K437 VanDerWaalsContact C-N 3.33Å; C435-K437 PolarHBondContact O-N 3.47Å; K437-M439 VanDerWaalsContact C-N 3.29Å; K437-M439 PolarHBondContact O-N 2.89Å; K437-G440 PolarHBondContact O-N 2.69Å; K437-G440 VanDerWaalsContact O-N 3.08Å; K437-L442 HydrophobicContact CB-CD2 4.36Å; K437-L442 HydrophobicContact CG-CD2 3.52Å; K437-E467 PolarHBondContact NZ-O 3.39Å
438R91.2Very high92.5Very high128 Ų12853.1 Ų53.148%0.48328%0.281SS..Hα-helixtrans-62.5-36.4177.1-177.6175-178.9172.8-5.4112.4F411 K434 C435 G440F411-R438 HydrophobicContact CE2-CB 4.05Å; F411-R438 HydrophobicContact CE2-CG 4.36Å; F411-R438 HydrophobicContact CZ-CB 4.06Å; F411-R438 HydrophobicContact CZ-CG 4.35Å; F411-R438 PolarHBondContact O-NH1 3.45Å; K434-R438 WeakPolarHBondContact O-CB 3.47Å; K434-R438 PolarHBondContact O-N 3.08Å; C435-R438 PolarHBondContact O-N 3.41Å; R438-G440 VanDerWaalsContact C-N 3.25Å; R438-G440 PolarHBondContact O-N 3.07Å
439M92.2Very high92.7Very high47 Ų4752.2 Ų52.223%0.23227%0.273CS..THydrogen-bonded Turntrans-79.2-4.1176.9-63.7172.878.500113.6N417 L420 C435 Y436 K437 K441N417-M439 WeakPolarHBondContact OD1-CE 3.38Å; L420-M439 HydrophobicContact CD2-SD 4.36Å; C435-M439 WeakPolarHBondContact O-CB 2.91Å; C435-M439 WeakPolarHBondContact O-CG 3.39Å; C435-M439 PolarHBondContact O-N 3.39Å; Y436-M439 CarbonylContact O-C 3.39Å; Y436-M439 PolarHBondContact O-N 2.97Å; K437-M439 VanDerWaalsContact C-N 3.29Å; K437-M439 PolarHBondContact O-N 2.89Å; M439-K441 HydrophobicContact CB-CD 4.28Å; M439-K441 HydrophobicContact CB-CG 4.18Å; M439-K441 HydrophobicContact CE-CD 4.08Å; M439-K441 PolarHBondContact O-N 3.46Å
440G91.2Very high92.9Very high62 Ų6256.4 Ų56.464%0.63929%0.289SS*.THydrogen-bonded Turntrans67.916.7-17500000114.8Y436 K437 R438 L442Y436-G440 PolarHBondContact O-N 2.96Å; K437-G440 PolarHBondContact O-N 2.69Å; K437-G440 VanDerWaalsContact O-N 3.08Å; R438-G440 VanDerWaalsContact C-N 3.25Å; R438-G440 PolarHBondContact O-N 3.07Å; G440-L442 PolarHBondContact O-N 3.47Å
441K93Very high93.1Very high84 Ų8460 Ų6037%0.36531%0.305SS..  trans-100.953.1-174.5-64.6-179.4-175174.60112.4Y436 M439 A443 K444 A445Y436-K441 HydrophobicContact CD1-CB 4Å; Y436-K441 PolarHBondContact O-N 3.28Å; M439-K441 HydrophobicContact CB-CD 4.28Å; M439-K441 HydrophobicContact CB-CG 4.18Å; M439-K441 HydrophobicContact CE-CD 4.08Å; M439-K441 PolarHBondContact O-N 3.46Å; K441-A443 PolarHBondContact O-N 3.18Å; K441-K444 HydrophobicContact CB-CB 4.34Å; K441-K444 HydrophobicContact CB-CG 4.38Å; K441-K444 HydrophobicContact CD-CD 4.21Å; K441-K444 PolarHBondContact O-N 2.92Å; K441-K444 VanDerWaalsContact O-N 3.16Å; K441-A445 PolarHBondContact O-N 3.41Å
442L92.5Very high93.1Very high79 Ų7958.8 Ų58.841%0.41430%0.3SS..Hα-helixtrans-60.7-40.1-176.4-62.7-178.9000113.6K437 G440 K444 A445 E446K437-L442 HydrophobicContact CB-CD2 4.36Å; K437-L442 HydrophobicContact CG-CD2 3.52Å; G440-L442 PolarHBondContact O-N 3.47Å; L442-K444 PolarHBondContact O-N 2.93Å; L442-A445 WeakPolarHBondContact O-CB 3.35Å; L442-A445 PolarHBondContact O-N 3Å; L442-A445 VanDerWaalsContact O-N 3.07Å; L442-E446 PolarHBondContact O-N 3.07Å
443A94Very high93.1Very high77 Ų7759.7 Ų59.764%0.63631%0.305SS*.Hα-helixtrans-60.5-32.817800000112.6K441 S447K441-A443 PolarHBondContact O-N 3.18Å; A443-S447 PolarHBondContact O-N 3.11Å
444K93Very high93.2Very high117 Ų11764.2 Ų64.251%0.50934%0.337SS..Hα-helixtrans-73.2-38.8174.4-63.5-162-178.4-164.10112Y436 K441 L442 E446 S447 V448Y436-K444 HydrophobicContact CD1-CB 4.2Å; Y436-K444 HydrophobicContact CE1-CB 3.94Å; K441-K444 HydrophobicContact CB-CB 4.34Å; K441-K444 HydrophobicContact CB-CG 4.38Å; K441-K444 HydrophobicContact CD-CD 4.21Å; K441-K444 PolarHBondContact O-N 2.92Å; K441-K444 VanDerWaalsContact O-N 3.16Å; L442-K444 PolarHBondContact O-N 2.93Å; K444-E446 VanDerWaalsContact C-N 3.29Å; K444-E446 PolarHBondContact O-N 3.12Å; K444-S447 WeakPolarHBondContact CA-OG 3.07Å; K444-S447 PolarHBondContact O-N 2.96Å; K444-S447 PolarHBondContact O-OG 2.83Å; K444-V448 VanDerWaalsContact O-CG2 3.28Å; K444-V448 WeakPolarHBondContact O-CG2 3.3Å; K444-V448 PolarHBondContact O-N 2.87Å
445A92.6Very high93.1Very high2 Ų265.6 Ų65.62%0.01735%0.345CS..Hα-helixtrans-58.6-47.1173.200000110.3Y436 K441 L442 V448 I449 I468Y436-A445 HydrophobicContact CD2-CB 3.54Å; Y436-A445 HydrophobicContact CE2-CB 4.42Å; Y436-A445 HydrophobicContact CG-CB 3.85Å; K441-A445 PolarHBondContact O-N 3.41Å; L442-A445 WeakPolarHBondContact O-CB 3.35Å; L442-A445 PolarHBondContact O-N 3Å; L442-A445 VanDerWaalsContact O-N 3.07Å; A445-V448 PolarHBondContact O-N 2.95Å; A445-I449 WeakPolarHBondContact O-CG1 3.26Å; A445-I449 PolarHBondContact O-N 2.99Å; A445-I468 HydrophobicContact CB-CD1 3.84Å; A445-I468 HydrophobicContact CB-CG1 4.29Å; A445-I468 HydrophobicContact CB-CG2 4.46Å
446E94.9Very high92.7Very high56 Ų5669.8 Ų69.826%0.26237%0.365SS..Hα-helixtrans-59.8-48176.9-176.6177.416800111.9L442 K444 V448 I449 R450 L465 I468L442-E446 PolarHBondContact O-N 3.07Å; K444-E446 VanDerWaalsContact C-N 3.29Å; K444-E446 PolarHBondContact O-N 3.12Å; E446-V448 VanDerWaalsContact C-N 3.32Å; E446-V448 PolarHBondContact O-N 3.26Å; E446-I449 PolarHBondContact O-N 3.23Å; E446-R450 HydrophobicContact CG-CG 4.34Å; E446-R450 WeakPolarHBondContact O-CB 3.46Å; E446-R450 WeakPolarHBondContact O-CG 3.46Å; E446-R450 PolarHBondContact O-N 3.23Å; E446-R450 IonicContact OE1-CZ 2.73Å; E446-R450 IonicContact OE1-NE 3.94Å; E446-R450 PolarHBondContact OE1-NE 3.42Å; E446-R450 IonicContact OE1-NH2 3.39Å; E446-R450 PolarHBondContact OE1-NH2 3.02Å; E446-L465 HydrophobicContact CG-CD1 3.77Å; E446-I468 HydrophobicContact CB-CG2 4.12Å
447S95Very high92.5Very high65 Ų6573 Ų7346%0.45538%0.381SS..Hα-helixtrans-60.9-40.5179.9680000112.4A443 K444 R450 Q451A443-S447 PolarHBondContact O-N 3.11Å; K444-S447 WeakPolarHBondContact CA-OG 3.07Å; K444-S447 PolarHBondContact O-N 2.96Å; K444-S447 PolarHBondContact O-OG 2.83Å; S447-R450 PolarHBondContact O-N 3.16Å; S447-Q451 WeakPolarHBondContact O-CB 3.47Å; S447-Q451 PolarHBondContact O-N 2.95Å
448V93.4Very high92.5Very high29 Ų2970.1 Ų70.118%0.17637%0.371CS..Hα-helixtrans-63.6-46.8176.9170.60000110.7W429 Y436 K444 A445 E446 R450 Q451 L452W429-V448 HydrophobicContact CZ3-CG1 3.93Å; Y436-V448 HydrophobicContact CE2-CG2 4.27Å; K444-V448 VanDerWaalsContact O-CG2 3.28Å; K444-V448 WeakPolarHBondContact O-CG2 3.3Å; K444-V448 PolarHBondContact O-N 2.87Å; A445-V448 PolarHBondContact O-N 2.95Å; E446-V448 VanDerWaalsContact C-N 3.32Å; E446-V448 PolarHBondContact O-N 3.26Å; V448-R450 VanDerWaalsContact C-N 3.33Å; V448-R450 PolarHBondContact O-N 3.22Å; V448-Q451 WeakPolarHBondContact O-CB 3.31Å; V448-Q451 PolarHBondContact O-N 3.34Å; V448-L452 HydrophobicContact CG1-CD1 4.25Å; V448-L452 WeakPolarHBondContact O-CG 3.36Å; V448-L452 PolarHBondContact O-N 3.4Å
449I94Very high92.5Very high1 Ų164.5 Ų64.51%0.00535%0.352CS..Hα-helixtrans-65.1-37.3178.1-63-61000111.5I433 A445 E446 L452 L453 M461 Y464 L465 I468I433-I449 HydrophobicContact CD1-CD1 4.27Å; A445-I449 WeakPolarHBondContact O-CG1 3.26Å; A445-I449 PolarHBondContact O-N 2.99Å; E446-I449 PolarHBondContact O-N 3.23Å; I449-L452 HydrophobicContact CD1-CD1 4.23Å; I449-L452 PolarHBondContact O-N 3.26Å; I449-L453 HydrophobicContact CG2-CD1 4.22Å; I449-L453 WeakPolarHBondContact O-CB 3.34Å; I449-L453 WeakPolarHBondContact O-CG 3.46Å; I449-L453 PolarHBondContact O-N 2.88Å; I449-M461 HydrophobicContact CD1-SD 4.02Å; I449-M461 HydrophobicContact CG2-CB 4.27Å; I449-M461 WeakPolarHBondContact CG2-O 3.26Å; I449-Y464 HydrophobicContact CD1-CD2 4.05Å; I449-Y464 HydrophobicContact CD1-CG 4.27Å; I449-L465 HydrophobicContact CG2-CB 4.11Å; I449-I468 HydrophobicContact CB-CD1 4.46Å; I449-I468 HydrophobicContact CG1-CD1 3.73Å
450R95.4Very high92.4Very high105 Ų10565.4 Ų65.440%0.39636%0.356SS..Hα-helixtrans-65.9-37.8174.9-73.2-177.8-176.9-70.1-3.6112.4E446 S447 V448 L453 S454 L465 Y474E446-R450 HydrophobicContact CG-CG 4.34Å; E446-R450 WeakPolarHBondContact O-CB 3.46Å; E446-R450 WeakPolarHBondContact O-CG 3.46Å; E446-R450 PolarHBondContact O-N 3.23Å; E446-R450 IonicContact OE1-CZ 2.73Å; E446-R450 IonicContact OE1-NE 3.94Å; E446-R450 PolarHBondContact OE1-NE 3.42Å; E446-R450 IonicContact OE1-NH2 3.39Å; E446-R450 PolarHBondContact OE1-NH2 3.02Å; S447-R450 PolarHBondContact O-N 3.16Å; V448-R450 VanDerWaalsContact C-N 3.33Å; V448-R450 PolarHBondContact O-N 3.22Å; R450-L453 PolarHBondContact O-N 3.16Å; R450-S454 PolarHBondContact O-N 3.47Å; R450-L465 HydrophobicContact CG-CD1 4.35Å; R450-Y474 PolarHBondContact NH2-OH 3.15Å
451Q94.6Very high92.5Very high116 Ų11663.2 Ų63.254%0.54233%0.329SS..Hα-helixtrans-62.1-48172.8-178-176.8-1400110.7S447 V448 L453 S454 E455S447-Q451 WeakPolarHBondContact O-CB 3.47Å; S447-Q451 PolarHBondContact O-N 2.95Å; V448-Q451 WeakPolarHBondContact O-CB 3.31Å; V448-Q451 PolarHBondContact O-N 3.34Å; Q451-L453 VanDerWaalsContact C-N 3.3Å; Q451-L453 PolarHBondContact O-N 3.29Å; Q451-S454 WeakPolarHBondContact O-CB 3.44Å; Q451-S454 PolarHBondContact O-N 3.2Å; Q451-S454 PolarHBondContact O-OG 3.23Å; Q451-E455 PolarHBondContact O-N 3.33Å; Q451-E455 VanDerWaalsContact O-N 3.15Å
452L92.2Very high92.6Very high31 Ų3160.3 Ų60.316%0.16232%0.316CS..Hα-helixtrans-61.1-38.7176.7-66.1168.5000112.4W429 V448 I449 S454 E455 E456 M461W429-L452 HydrophobicContact CD2-CD1 3.82Å; W429-L452 HydrophobicContact CE3-CD1 3.87Å; W429-L452 HydrophobicContact CH2-CD1 3.56Å; W429-L452 HydrophobicContact CH2-CD2 4.04Å; W429-L452 HydrophobicContact CH2-CG 4.35Å; W429-L452 HydrophobicContact CZ2-CD1 3.46Å; W429-L452 VanDerWaalsContact CZ2-CD1 3.46Å; W429-L452 HydrophobicContact CZ2-CD2 3.81Å; W429-L452 HydrophobicContact CZ2-CG 4.28Å; W429-L452 HydrophobicContact CZ3-CD1 3.76Å; V448-L452 HydrophobicContact CG1-CD1 4.25Å; V448-L452 WeakPolarHBondContact O-CG 3.36Å; V448-L452 PolarHBondContact O-N 3.4Å; I449-L452 HydrophobicContact CD1-CD1 4.23Å; I449-L452 PolarHBondContact O-N 3.26Å; L452-S454 VanDerWaalsContact C-N 3.26Å; L452-S454 PolarHBondContact O-N 2.9Å; L452-E455 PolarHBondContact O-N 3.1Å; L452-E456 PolarHBondContact O-N 3.46Å; L452-M461 HydrophobicContact CB-CG 4.33Å; L452-M461 HydrophobicContact CB-SD 4.05Å; L452-M461 HydrophobicContact CD1-CE 4.5Å; L452-M461 HydrophobicContact CD1-SD 3.84Å
453L92.8Very high92.7Very high22 Ų2256.6 Ų56.612%0.11530%0.297CS..Hα-helixtrans-63.5-30.6173.5-81167.2000113.2I449 R450 Q451 E456 M461 Y462 L465I449-L453 HydrophobicContact CG2-CD1 4.22Å; I449-L453 WeakPolarHBondContact O-CB 3.34Å; I449-L453 WeakPolarHBondContact O-CG 3.46Å; I449-L453 PolarHBondContact O-N 2.88Å; R450-L453 PolarHBondContact O-N 3.16Å; Q451-L453 VanDerWaalsContact C-N 3.3Å; Q451-L453 PolarHBondContact O-N 3.29Å; L453-E456 CarbonylContact O-C 3.43Å; L453-M461 HydrophobicContact CD1-CB 4.37Å; L453-M461 HydrophobicContact CD2-CB 3.48Å; L453-M461 VanDerWaalsContact CD2-CB 3.48Å; L453-M461 HydrophobicContact CD2-CG 4.46Å; L453-M461 HydrophobicContact CG-CB 3.63Å; L453-M461 HydrophobicContact CG-CG 4.5Å; L453-Y462 HydrophobicContact CD1-CD1 4.12Å; L453-Y462 HydrophobicContact CD1-CE1 3.89Å; L453-Y462 HydrophobicContact CD2-CD1 4.27Å; L453-Y462 HydrophobicContact CD2-CD2 4.14Å; L453-Y462 HydrophobicContact CD2-CE1 4Å; L453-Y462 HydrophobicContact CD2-CE2 3.91Å; L453-Y462 HydrophobicContact CD2-CG 4.29Å; L453-L465 HydrophobicContact CD1-CD2 3.93Å
454S94Very high92.6Very high99 Ų9953 Ų5369%0.69227%0.267SS*.Hα-helixtrans-75-27.8176.774.80000112.8R450 Q451 L452R450-S454 PolarHBondContact O-N 3.47Å; Q451-S454 WeakPolarHBondContact O-CB 3.44Å; Q451-S454 PolarHBondContact O-N 3.2Å; Q451-S454 PolarHBondContact O-OG 3.23Å; L452-S454 VanDerWaalsContact C-N 3.26Å; L452-S454 PolarHBondContact O-N 2.9Å
455E89.9Confident92.7Very high134 Ų13447.5 Ų47.563%0.62624%0.243SC*.Hα-helixtrans-76.4-45.4172.6-65.8170.9-164.800110.5Q451 L452Q451-E455 PolarHBondContact O-N 3.33Å; Q451-E455 VanDerWaalsContact O-N 3.15Å; L452-E455 PolarHBondContact O-N 3.1Å
456E86.3Confident92.8Very high88 Ų8847.4 Ų47.441%0.41124%0.242SC..  trans-153.5124.6178.7-169.5179.6-176.900112.6K102 L452 L453 T458K102-E456 WeakPolarHBondContact CE-OE1 3.05Å; K102-E456 IonicContact NZ-OE1 3.81Å; K102-E456 PolarHBondContact NZ-OE1 3.4Å; K102-E456 IonicContact NZ-OE2 3.81Å; K102-E456 PolarHBondContact NZ-OE2 3.49Å; L452-E456 PolarHBondContact O-N 3.46Å; L453-E456 CarbonylContact O-C 3.43Å; E456-T458 HydrophobicContact CB-CG2 4.45Å; E456-T458 HydrophobicContact CG-CG2 3.84Å; E456-T458 PolarHBondContact O-N 2.84Å
457E89.7Confident92.7Very high96 Ų9646.4 Ų46.445%0.44924%0.237SC..  trans-77.1107.2176.6-168.1175.4-152.300110.8Y462 K477 L481E457-Y462 HydrophobicContact CG-CD2 4.47Å; E457-Y462 HydrophobicContact CG-CE2 3.41Å; E457-Y462 VanDerWaalsContact CG-CE2 3.41Å; E457-Y462 WeakPolarHBondContact OE1-CE2 3.29Å; E457-Y462 VanDerWaalsContact OE1-CZ 3.22Å; E457-Y462 PolarHBondContact OE1-OH 3.19Å; E457-K477 WeakPolarHBondContact OE1-CE 3.24Å; E457-K477 IonicContact OE1-NZ 2.73Å; E457-K477 PolarHBondContact OE1-NZ 3.5Å; E457-L481 HydrophobicContact CG-CD2 3.92Å
458T90.1Very high92.6Very high35 Ų3544 Ų4422%0.21522%0.219CC..  trans-125.8150.6179.465.90000112.6E456 E460 M461 Y462E456-T458 HydrophobicContact CB-CG2 4.45Å; E456-T458 HydrophobicContact CG-CG2 3.84Å; E456-T458 PolarHBondContact O-N 2.84Å; T458-E460 PolarHBondContact O-N 2.96Å; T458-M461 PolarHBondContact O-N 3.28Å; T458-M461 WeakPolarHBondContact OG1-CG 3.27Å; T458-M461 PolarHBondContact OG1-N 2.64Å; T458-Y462 WeakPolarHBondContact O-CD2 3.39Å; T458-Y462 PolarHBondContact O-N 3.28Å
459A91.6Very high92.6Very high10 Ų1044.9 Ų44.98%0.08323%0.225CC..Hα-helixtrans-60.5-37.4176.900000111.5Y462 C463 S478 Y486A459-Y462 PolarHBondContact O-N 3.31Å; A459-C463 PolarHBondContact O-N 3.19Å; A459-C463 VanDerWaalsContact O-N 3.12Å; A459-S478 WeakPolarHBondContact CB-O 3.4Å; A459-S478 WeakPolarHBondContact O-CB 3.46Å; A459-S478 PolarHBondContact O-OG 3.37Å; A459-Y486 HydrophobicContact CB-CD1 3.9Å; A459-Y486 HydrophobicContact CB-CG 4.3Å
460E90.8Very high92.5Very high66 Ų6648.1 Ų48.131%0.30824%0.242SC..Hα-helixtrans-58.5-49.7176.8-179.4179.6-164.800112T458 Y462 C463 Y464 Y486T458-E460 PolarHBondContact O-N 2.96Å; E460-Y462 PolarHBondContact O-N 3.19Å; E460-C463 WeakPolarHBondContact O-CB 3.5Å; E460-C463 PolarHBondContact O-N 2.88Å; E460-Y464 HydrophobicContact CG-CD2 3.96Å; E460-Y464 HydrophobicContact CG-CE2 3.3Å; E460-Y464 WeakPolarHBondContact O-CD2 3.34Å; E460-Y464 PolarHBondContact O-N 3.28Å; E460-Y464 VanDerWaalsContact OE1-CE2 3.26Å; E460-Y464 WeakPolarHBondContact OE1-CE2 3.42Å; E460-Y464 VanDerWaalsContact OE1-CZ 3.29Å; E460-Y464 PolarHBondContact OE1-OH 3.21Å; E460-Y486 HydrophobicContact CB-CE1 4.39Å
461M92.9Very high92.5Very high15 Ų1546 Ų467%0.07424%0.238CC..Hα-helixtrans-65-36.6-177.8-65.2-54.8137.700112.9W429 I449 L452 L453 T458 C463 Y464 L465W429-M461 HydrophobicContact CG-CE 4.24Å; I449-M461 HydrophobicContact CD1-SD 4.02Å; I449-M461 HydrophobicContact CG2-CB 4.27Å; I449-M461 WeakPolarHBondContact CG2-O 3.26Å; L452-M461 HydrophobicContact CB-CG 4.33Å; L452-M461 HydrophobicContact CB-SD 4.05Å; L452-M461 HydrophobicContact CD1-CE 4.5Å; L452-M461 HydrophobicContact CD1-SD 3.84Å; L453-M461 HydrophobicContact CD1-CB 4.37Å; L453-M461 HydrophobicContact CD2-CB 3.48Å; L453-M461 VanDerWaalsContact CD2-CB 3.48Å; L453-M461 HydrophobicContact CD2-CG 4.46Å; L453-M461 HydrophobicContact CG-CB 3.63Å; L453-M461 HydrophobicContact CG-CG 4.5Å; T458-M461 PolarHBondContact O-N 3.28Å; T458-M461 WeakPolarHBondContact OG1-CG 3.27Å; T458-M461 PolarHBondContact OG1-N 2.64Å; M461-C463 VanDerWaalsContact C-N 3.32Å; M461-C463 PolarHBondContact O-N 3.25Å; M461-Y464 HydrophobicContact CE-CD2 4.29Å; M461-Y464 HydrophobicContact CE-CE2 4.19Å; M461-Y464 WeakPolarHBondContact O-CB 3.35Å; M461-Y464 PolarHBondContact O-N 3.38Å; M461-Y464 HydrophobicContact SD-CD2 3.89Å; M461-Y464 HydrophobicContact SD-CE2 4.39Å; M461-L465 PolarHBondContact O-N 3.17Å
462Y95.2Very high92.5Very high24 Ų2441.8 Ų41.89%0.09422%0.224CC..Hα-helixtrans-64.5-36.8171.8-78.7-56.8000112.9L453 E457 T458 A459 E460 Y464 L465 G466 Y474 K477 L481L453-Y462 HydrophobicContact CD1-CD1 4.12Å; L453-Y462 HydrophobicContact CD1-CE1 3.89Å; L453-Y462 HydrophobicContact CD2-CD1 4.27Å; L453-Y462 HydrophobicContact CD2-CD2 4.14Å; L453-Y462 HydrophobicContact CD2-CE1 4Å; L453-Y462 HydrophobicContact CD2-CE2 3.91Å; L453-Y462 HydrophobicContact CD2-CG 4.29Å; E457-Y462 HydrophobicContact CG-CD2 4.47Å; E457-Y462 HydrophobicContact CG-CE2 3.41Å; E457-Y462 VanDerWaalsContact CG-CE2 3.41Å; E457-Y462 WeakPolarHBondContact OE1-CE2 3.29Å; E457-Y462 VanDerWaalsContact OE1-CZ 3.22Å; E457-Y462 PolarHBondContact OE1-OH 3.19Å; T458-Y462 WeakPolarHBondContact O-CD2 3.39Å; T458-Y462 PolarHBondContact O-N 3.28Å; A459-Y462 PolarHBondContact O-N 3.31Å; E460-Y462 PolarHBondContact O-N 3.19Å; Y462-Y464 VanDerWaalsContact C-N 3.32Å; Y462-Y464 PolarHBondContact O-N 3.35Å; Y462-L465 HydrophobicContact CD1-CD2 4.48Å; Y462-L465 PolarHBondContact O-N 2.98Å; Y462-G466 PolarHBondContact O-N 3.25Å; Y462-Y474 AromaticContact CD1-CD1 3.88Å; Y462-Y474 HydrophobicContact CD1-CD1 3.88Å; Y462-Y474 HydrophobicContact CE1-CD1 4.38Å; Y462-Y474 WeakPolarHBondContact O-CB 3.45Å; Y462-K477 HydrophobicContact CD1-CD 4.07Å; Y462-K477 HydrophobicContact CD1-CG 4.48Å; Y462-K477 HydrophobicContact CD2-CD 4.22Å; Y462-K477 HydrophobicContact CD2-CG 4.08Å; Y462-K477 HydrophobicContact CE1-CD 3.71Å; Y462-K477 HydrophobicContact CE2-CD 3.82Å; Y462-K477 VanDerWaalsContact CE2-CE 3.48Å; Y462-K477 HydrophobicContact CE2-CG 4.08Å; Y462-K477 HydrophobicContact CG-CD 4.34Å; Y462-K477 HydrophobicContact CG-CG 4.3Å; Y462-K477 VanDerWaalsContact CZ-NZ 3.28Å; Y462-K477 WeakPolarHBondContact OH-CE 3.27Å; Y462-K477 PolarHBondContact OH-NZ 3.47Å; Y462-L481 HydrophobicContact CD2-CD2 3.94Å; Y462-L481 HydrophobicContact CE2-CD2 3.99Å
463C93.7Very high92.8Very high0 Ų046.2 Ų46.20%025%0.247CC..Hα-helixtrans-62.9-41.8174.6-169.80000111A459 E460 M461 L465 G466 E467 F475 Y486A459-C463 PolarHBondContact O-N 3.19Å; A459-C463 VanDerWaalsContact O-N 3.12Å; E460-C463 WeakPolarHBondContact O-CB 3.5Å; E460-C463 PolarHBondContact O-N 2.88Å; M461-C463 VanDerWaalsContact C-N 3.32Å; M461-C463 PolarHBondContact O-N 3.25Å; C463-L465 PolarHBondContact O-N 3.25Å; C463-G466 PolarHBondContact O-N 3.17Å; C463-E467 WeakPolarHBondContact O-CG 3.43Å; C463-E467 PolarHBondContact O-N 2.83Å; C463-F475 HydrophobicContact CB-CD1 4.5Å; C463-F475 VanDerWaalsContact O-CE1 3.27Å; C463-F475 WeakPolarHBondContact O-CE1 3.3Å; C463-Y486 HydrophobicContact CB-CE1 3.83Å
464Y93.2Very high93Very high3 Ų347.5 Ų47.51%0.01225%0.25CS..Hα-helixtrans-61.9-42.5173.3-70-41.8000112.9W429 D430 I433 I449 E460 M461 Y462 G466 E467 I468 R488W429-Y464 HydrophobicContact CB-CD2 3.96Å; W429-Y464 HydrophobicContact CB-CE1 4.45Å; W429-Y464 HydrophobicContact CB-CE2 3.38Å; W429-Y464 HydrophobicContact CG-CE2 4.11Å; D430-Y464 WeakPolarHBondContact OD1-CE1 3.21Å; I433-Y464 HydrophobicContact CD1-CD1 3.2Å; I433-Y464 HydrophobicContact CD1-CD2 4.26Å; I433-Y464 HydrophobicContact CD1-CE1 3.95Å; I433-Y464 HydrophobicContact CD1-CG 3.41Å; I433-Y464 VanDerWaalsContact CD1-CG 3.41Å; I449-Y464 HydrophobicContact CD1-CD2 4.05Å; I449-Y464 HydrophobicContact CD1-CG 4.27Å; E460-Y464 HydrophobicContact CG-CD2 3.96Å; E460-Y464 HydrophobicContact CG-CE2 3.3Å; E460-Y464 WeakPolarHBondContact O-CD2 3.34Å; E460-Y464 PolarHBondContact O-N 3.28Å; E460-Y464 VanDerWaalsContact OE1-CE2 3.26Å; E460-Y464 WeakPolarHBondContact OE1-CE2 3.42Å; E460-Y464 VanDerWaalsContact OE1-CZ 3.29Å; E460-Y464 PolarHBondContact OE1-OH 3.21Å; M461-Y464 HydrophobicContact CE-CD2 4.29Å; M461-Y464 HydrophobicContact CE-CE2 4.19Å; M461-Y464 WeakPolarHBondContact O-CB 3.35Å; M461-Y464 PolarHBondContact O-N 3.38Å; M461-Y464 HydrophobicContact SD-CD2 3.89Å; M461-Y464 HydrophobicContact SD-CE2 4.39Å; Y462-Y464 VanDerWaalsContact C-N 3.32Å; Y462-Y464 PolarHBondContact O-N 3.35Å; Y464-G466 VanDerWaalsContact C-N 3.31Å; Y464-G466 PolarHBondContact O-N 2.86Å; Y464-E467 PolarHBondContact O-N 2.86Å; Y464-E467 VanDerWaalsContact O-N 3.14Å; Y464-I468 WeakPolarHBondContact O-CD1 3.38Å; Y464-I468 VanDerWaalsContact O-CG1 3.27Å; Y464-I468 WeakPolarHBondContact O-CG1 2.99Å; Y464-I468 PolarHBondContact O-N 3.14Å; Y464-R488 PolarHBondContact OH-NH1 3.16Å
465L94.7Very high93.1Very high1 Ų142.8 Ų42.81%0.00522%0.218CC..Hα-helixtrans-61.2-41.8177.2-168.859.5000111.3E446 I449 R450 L453 M461 Y462 C463 I468 T469 Y474E446-L465 HydrophobicContact CG-CD1 3.77Å; I449-L465 HydrophobicContact CG2-CB 4.11Å; R450-L465 HydrophobicContact CG-CD1 4.35Å; L453-L465 HydrophobicContact CD1-CD2 3.93Å; M461-L465 PolarHBondContact O-N 3.17Å; Y462-L465 HydrophobicContact CD1-CD2 4.48Å; Y462-L465 PolarHBondContact O-N 2.98Å; C463-L465 PolarHBondContact O-N 3.25Å; L465-I468 PolarHBondContact O-N 3.23Å; L465-T469 HydrophobicContact CD1-CG2 4.1Å; L465-T469 HydrophobicContact CG-CG2 4.47Å; L465-T469 WeakPolarHBondContact O-CB 3.44Å; L465-T469 WeakPolarHBondContact O-CG2 3.48Å; L465-T469 PolarHBondContact O-N 3.14Å; L465-T469 PolarHBondContact O-OG1 3.24Å; L465-Y474 HydrophobicContact CB-CD2 4.34Å; L465-Y474 HydrophobicContact CB-CG 4.3Å; L465-Y474 HydrophobicContact CD2-CD1 3.75Å; L465-Y474 HydrophobicContact CD2-CD2 4.17Å; L465-Y474 HydrophobicContact CD2-CE1 3.42Å; L465-Y474 VanDerWaalsContact CD2-CE1 3.42Å; L465-Y474 HydrophobicContact CD2-CE2 3.86Å; L465-Y474 HydrophobicContact CD2-CG 4.12Å; L465-Y474 VanDerWaalsContact CD2-CZ 3.47Å; L465-Y474 HydrophobicContact CG-CD1 4.25Å; L465-Y474 HydrophobicContact CG-CD2 3.83Å; L465-Y474 HydrophobicContact CG-CE1 4.17Å; L465-Y474 HydrophobicContact CG-CE2 3.72Å; L465-Y474 HydrophobicContact CG-CG 4.1Å
466G94.4Very high93.4Very high0 Ų039.3 Ų39.30%021%0.205CC..Hα-helixtrans-63.1-39172.300000113.4Y462 C463 Y464 I468 D470Y462-G466 PolarHBondContact O-N 3.25Å; C463-G466 PolarHBondContact O-N 3.17Å; Y464-G466 VanDerWaalsContact C-N 3.31Å; Y464-G466 PolarHBondContact O-N 2.86Å; G466-I468 VanDerWaalsContact C-N 3.29Å; G466-I468 PolarHBondContact O-N 2.65Å; G466-D470 VanDerWaalsContact O-CA 3.24Å; G466-D470 WeakPolarHBondContact O-CA 3.4Å; G466-D470 PolarHBondContact O-N 3.16Å
467E91.8Very high93.9Very high34 Ų3439.4 Ų39.416%0.15920%0.204CC..Hα-helixtrans-70.2-22.7176.5-74.2172.9-161.400113.8K437 C463 Y464 F475 R488 S492K437-E467 PolarHBondContact NZ-O 3.39Å; C463-E467 WeakPolarHBondContact O-CG 3.43Å; C463-E467 PolarHBondContact O-N 2.83Å; Y464-E467 PolarHBondContact O-N 2.86Å; Y464-E467 VanDerWaalsContact O-N 3.14Å; E467-F475 HydrophobicContact CG-CE1 3.95Å; E467-F475 HydrophobicContact CG-CZ 3.99Å; E467-R488 VanDerWaalsContact CD-NH2 3.33Å; E467-R488 IonicContact OE1-CZ 3.99Å; E467-R488 IonicContact OE1-NE 3.08Å; E467-R488 PolarHBondContact OE1-NE 2.92Å; E467-R488 IonicContact OE1-NH2 2.98Å; E467-R488 PolarHBondContact OE1-NH2 3.14Å; E467-R488 IonicContact OE2-CZ 2.81Å; E467-R488 IonicContact OE2-NH2 3.83Å; E467-R488 PolarHBondContact OE2-NH2 3.18Å; E467-S492 PolarHBondContact OE1-OG 2.78Å
468I93.1Very high94.2Very high15 Ų1534.8 Ų34.88%0.07718%0.183CC..Hα-helixtrans-87.2-46.3176.9-66.1161.2000110.8I433 A445 E446 I449 Y464 L465 G466I433-I468 HydrophobicContact CD1-CD1 4.14Å; I433-I468 HydrophobicContact CD1-CG1 4.48Å; I433-I468 HydrophobicContact CG1-CD1 4.08Å; I433-I468 HydrophobicContact CG1-CG1 4.43Å; I433-I468 HydrophobicContact CG2-CD1 4.4Å; I433-I468 HydrophobicContact CG2-CG1 3.86Å; A445-I468 HydrophobicContact CB-CD1 3.84Å; A445-I468 HydrophobicContact CB-CG1 4.29Å; A445-I468 HydrophobicContact CB-CG2 4.46Å; E446-I468 HydrophobicContact CB-CG2 4.12Å; I449-I468 HydrophobicContact CB-CD1 4.46Å; I449-I468 HydrophobicContact CG1-CD1 3.73Å; Y464-I468 WeakPolarHBondContact O-CD1 3.38Å; Y464-I468 VanDerWaalsContact O-CG1 3.27Å; Y464-I468 WeakPolarHBondContact O-CG1 2.99Å; Y464-I468 PolarHBondContact O-N 3.14Å; L465-I468 PolarHBondContact O-N 3.23Å; G466-I468 VanDerWaalsContact C-N 3.29Å; G466-I468 PolarHBondContact O-N 2.65Å
469T93.2Very high94.5Very high48 Ų4833.7 Ų33.729%0.29418%0.175SC..Hα-helixtrans-87.1-12.9-174.358.20000113.6L465 D471 Y474L465-T469 HydrophobicContact CD1-CG2 4.1Å; L465-T469 HydrophobicContact CG-CG2 4.47Å; L465-T469 WeakPolarHBondContact O-CB 3.44Å; L465-T469 WeakPolarHBondContact O-CG2 3.48Å; L465-T469 PolarHBondContact O-N 3.14Å; L465-T469 PolarHBondContact O-OG1 3.24Å; T469-D471 PolarHBondContact O-N 2.82Å; T469-D471 PolarHBondContact OG1-N 3.4Å; T469-Y474 HydrophobicContact CG2-CE2 4.25Å; T469-Y474 WeakPolarHBondContact OG1-CD2 3.4Å
470D92.7Very high94.7Very high68 Ų6837.5 Ų37.536%0.36419%0.194SC..  trans55.726.8-170.5-78.1-22.4000113.4G466 L496 R499G466-D470 VanDerWaalsContact O-CA 3.24Å; G466-D470 WeakPolarHBondContact O-CA 3.4Å; G466-D470 PolarHBondContact O-N 3.16Å; D470-L496 HydrophobicContact CB-CD1 3.89Å; D470-L496 WeakPolarHBondContact O-CD2 3.47Å; D470-R499 VanDerWaalsContact CG-NH1 3.3Å; D470-R499 IonicContact OD1-CZ 2.69Å; D470-R499 IonicContact OD1-NH1 3.31Å; D470-R499 PolarHBondContact OD1-NH1 2.92Å; D470-R499 VanDerWaalsContact OD1-NH1 3.11Å; D470-R499 IonicContact OD1-NH2 2.78Å; D470-R499 PolarHBondContact OD1-NH2 3.43Å; D470-R499 IonicContact OD2-CZ 3.1Å; D470-R499 IonicContact OD2-NH1 3.57Å; D470-R499 PolarHBondContact OD2-NH1 3.4Å; D470-R499 IonicContact OD2-NH2 3.61Å
471D95.1Very high94.8Very high60 Ų6037.9 Ų37.932%0.32120%0.197SC..  trans-94.7119.9175.5-174.8-4.8000111.6T469 L473 Y474T469-D471 PolarHBondContact O-N 2.82Å; T469-D471 PolarHBondContact OG1-N 3.4Å; D471-L473 VanDerWaalsContact C-N 3.25Å; D471-L473 PolarHBondContact O-N 3.4Å; D471-L473 WeakPolarHBondContact OD1-CB 3.47Å; D471-L473 WeakPolarHBondContact OD1-CG 3.45Å; D471-L473 PolarHBondContact OD1-N 2.92Å; D471-Y474 HydrophobicContact CB-CD2 3.84Å; D471-Y474 HydrophobicContact CB-CE2 4.11Å; D471-Y474 PolarHBondContact O-N 3.24Å
472A95.8Very high94.7Very high29 Ų2937.4 Ų37.424%0.2420%0.196CC..Hα-helixtrans-63.7-27.6179.300000113.6Y474 F475 V476 L493 L496A472-Y474 VanDerWaalsContact C-N 3.26Å; A472-Y474 PolarHBondContact O-N 3.2Å; A472-F475 PolarHBondContact O-N 2.61Å; A472-F475 VanDerWaalsContact O-N 3.13Å; A472-V476 PolarHBondContact O-N 2.67Å; A472-V476 VanDerWaalsContact O-N 3.16Å; A472-L493 HydrophobicContact CB-CD1 3.72Å; A472-L496 HydrophobicContact CB-CD2 3.97Å
473L96.8Very high94.6Very high123 Ų12342.6 Ų42.664%0.64423%0.225SC*.Hα-helixtrans-62.8-33.7-177.8-66176.9000112.1D471 F475 V476 K477D471-L473 VanDerWaalsContact C-N 3.25Å; D471-L473 PolarHBondContact O-N 3.4Å; D471-L473 WeakPolarHBondContact OD1-CB 3.47Å; D471-L473 WeakPolarHBondContact OD1-CG 3.45Å; D471-L473 PolarHBondContact OD1-N 2.92Å; L473-F475 VanDerWaalsContact C-N 3.34Å; L473-F475 PolarHBondContact O-N 3Å; L473-V476 PolarHBondContact O-N 3.1Å; L473-K477 WeakPolarHBondContact O-CB 3.49Å; L473-K477 PolarHBondContact O-N 2.9Å
474Y97.2Very high94.6Very high49 Ų4947.3 Ų47.319%0.19225%0.247CC..Hα-helixtrans-68.6-33.6176.6-67.2-54.6000112.5R450 Y462 L465 T469 D471 A472 K477 S478R450-Y474 PolarHBondContact NH2-OH 3.15Å; Y462-Y474 AromaticContact CD1-CD1 3.88Å; Y462-Y474 HydrophobicContact CD1-CD1 3.88Å; Y462-Y474 HydrophobicContact CE1-CD1 4.38Å; Y462-Y474 WeakPolarHBondContact O-CB 3.45Å; L465-Y474 HydrophobicContact CB-CD2 4.34Å; L465-Y474 HydrophobicContact CB-CG 4.3Å; L465-Y474 HydrophobicContact CD2-CD1 3.75Å; L465-Y474 HydrophobicContact CD2-CD2 4.17Å; L465-Y474 HydrophobicContact CD2-CE1 3.42Å; L465-Y474 VanDerWaalsContact CD2-CE1 3.42Å; L465-Y474 HydrophobicContact CD2-CE2 3.86Å; L465-Y474 HydrophobicContact CD2-CG 4.12Å; L465-Y474 VanDerWaalsContact CD2-CZ 3.47Å; L465-Y474 HydrophobicContact CG-CD1 4.25Å; L465-Y474 HydrophobicContact CG-CD2 3.83Å; L465-Y474 HydrophobicContact CG-CE1 4.17Å; L465-Y474 HydrophobicContact CG-CE2 3.72Å; L465-Y474 HydrophobicContact CG-CG 4.1Å; T469-Y474 HydrophobicContact CG2-CE2 4.25Å; T469-Y474 WeakPolarHBondContact OG1-CD2 3.4Å; D471-Y474 HydrophobicContact CB-CD2 3.84Å; D471-Y474 HydrophobicContact CB-CE2 4.11Å; D471-Y474 PolarHBondContact O-N 3.24Å; A472-Y474 VanDerWaalsContact C-N 3.26Å; A472-Y474 PolarHBondContact O-N 3.2Å; Y474-K477 PolarHBondContact O-N 2.89Å; Y474-S478 VanDerWaalsContact O-CB 3.25Å; Y474-S478 WeakPolarHBondContact O-CB 3.48Å; Y474-S478 PolarHBondContact O-N 3.33Å
475F97.2Very high94.6Very high1 Ų153.4 Ų53.40%0.00427%0.27CS..Hα-helixtrans-68.1-38.2172.4-58.5-53000112.1C463 E467 A472 L473 S478 W479 L493 L496C463-F475 HydrophobicContact CB-CD1 4.5Å; C463-F475 VanDerWaalsContact O-CE1 3.27Å; C463-F475 WeakPolarHBondContact O-CE1 3.3Å; E467-F475 HydrophobicContact CG-CE1 3.95Å; E467-F475 HydrophobicContact CG-CZ 3.99Å; A472-F475 PolarHBondContact O-N 2.61Å; A472-F475 VanDerWaalsContact O-N 3.13Å; L473-F475 VanDerWaalsContact C-N 3.34Å; L473-F475 PolarHBondContact O-N 3Å; F475-S478 WeakPolarHBondContact O-CB 3.45Å; F475-S478 PolarHBondContact O-N 2.63Å; F475-W479 VanDerWaalsContact O-CB 3.3Å; F475-W479 WeakPolarHBondContact O-CB 3.38Å; F475-W479 PolarHBondContact O-N 2.84Å; F475-L493 HydrophobicContact CB-CB 3.81Å; F475-L493 HydrophobicContact CB-CD1 4.32Å; F475-L493 HydrophobicContact CB-CG 4.45Å; F475-L493 HydrophobicContact CD2-CB 3.96Å; F475-L493 HydrophobicContact CD2-CD1 4.03Å; F475-L493 HydrophobicContact CG-CB 4.05Å; F475-L496 HydrophobicContact CD2-CD2 4.22Å; F475-L496 HydrophobicContact CE2-CB 4.1Å; F475-L496 HydrophobicContact CE2-CD2 3.76Å
476V96.2Very high94.4Very high60 Ų6053.7 Ų53.736%0.36427%0.271SS..Hα-helixtrans-64.9-43.1174.4177.60000110.6A472 L473 W479 N480A472-V476 PolarHBondContact O-N 2.67Å; A472-V476 VanDerWaalsContact O-N 3.16Å; L473-V476 PolarHBondContact O-N 3.1Å; V476-W479 WeakPolarHBondContact O-CB 3.45Å; V476-W479 PolarHBondContact O-N 3.22Å; V476-N480 WeakPolarHBondContact O-CB 3.4Å; V476-N480 VanDerWaalsContact O-CG 3.25Å; V476-N480 PolarHBondContact O-N 3.34Å; V476-N480 PolarHBondContact O-ND2 3.46Å
477K96.2Very high94.2Very high90 Ų9054.2 Ų54.239%0.39128%0.275SS..Hα-helixtrans-61.8-46.4175.3-172.8169.6-177.4-176.30111.7E457 Y462 L473 Y474 W479 N480 L481E457-K477 WeakPolarHBondContact OE1-CE 3.24Å; E457-K477 IonicContact OE1-NZ 2.73Å; E457-K477 PolarHBondContact OE1-NZ 3.5Å; Y462-K477 HydrophobicContact CD1-CD 4.07Å; Y462-K477 HydrophobicContact CD1-CG 4.48Å; Y462-K477 HydrophobicContact CD2-CD 4.22Å; Y462-K477 HydrophobicContact CD2-CG 4.08Å; Y462-K477 HydrophobicContact CE1-CD 3.71Å; Y462-K477 HydrophobicContact CE2-CD 3.82Å; Y462-K477 VanDerWaalsContact CE2-CE 3.48Å; Y462-K477 HydrophobicContact CE2-CG 4.08Å; Y462-K477 HydrophobicContact CG-CD 4.34Å; Y462-K477 HydrophobicContact CG-CG 4.3Å; Y462-K477 VanDerWaalsContact CZ-NZ 3.28Å; Y462-K477 WeakPolarHBondContact OH-CE 3.27Å; Y462-K477 PolarHBondContact OH-NZ 3.47Å; L473-K477 WeakPolarHBondContact O-CB 3.49Å; L473-K477 PolarHBondContact O-N 2.9Å; Y474-K477 PolarHBondContact O-N 2.89Å; K477-W479 VanDerWaalsContact C-N 3.33Å; K477-W479 PolarHBondContact O-N 3.23Å; K477-N480 PolarHBondContact O-N 2.94Å; K477-L481 VanDerWaalsContact O-CB 3.25Å; K477-L481 WeakPolarHBondContact O-CB 3.29Å; K477-L481 PolarHBondContact O-N 3.39Å
478S95.3Very high94.3Very high0 Ų053.7 Ų53.70%027%0.271CS..Hα-helixtrans-55.5-47.41741770000111.9A459 Y474 F475 S482 Y486 A489A459-S478 WeakPolarHBondContact CB-O 3.4Å; A459-S478 WeakPolarHBondContact O-CB 3.46Å; A459-S478 PolarHBondContact O-OG 3.37Å; Y474-S478 VanDerWaalsContact O-CB 3.25Å; Y474-S478 WeakPolarHBondContact O-CB 3.48Å; Y474-S478 PolarHBondContact O-N 3.33Å; F475-S478 WeakPolarHBondContact O-CB 3.45Å; F475-S478 PolarHBondContact O-N 2.63Å; S478-S482 WeakPolarHBondContact O-CB 3.5Å; S478-S482 PolarHBondContact O-N 2.92Å; S478-S482 PolarHBondContact O-OG 3.27Å; S478-Y486 WeakPolarHBondContact OG-CD1 3.37Å; S478-A489 WeakPolarHBondContact OG-CB 3.49Å
479W96.3Very high94.4Very high11 Ų1153 Ų534%0.04227%0.268CS..Hα-helixtrans-61-49.7178.9-178.7-109.4000112.4F475 V476 K477 S482 E484 Y486 A489 Q490 K512 L516F475-W479 VanDerWaalsContact O-CB 3.3Å; F475-W479 WeakPolarHBondContact O-CB 3.38Å; F475-W479 PolarHBondContact O-N 2.84Å; V476-W479 WeakPolarHBondContact O-CB 3.45Å; V476-W479 PolarHBondContact O-N 3.22Å; K477-W479 VanDerWaalsContact C-N 3.33Å; K477-W479 PolarHBondContact O-N 3.23Å; W479-S482 PolarHBondContact O-N 3.45Å; W479-S482 PolarHBondContact O-OG 2.92Å; W479-E484 HydrophobicContact CD2-CB 4.23Å; W479-E484 HydrophobicContact CD2-CG 4.47Å; W479-E484 VanDerWaalsContact CE2-CB 3.5Å; W479-E484 HydrophobicContact CH2-CB 4.02Å; W479-E484 WeakPolarHBondContact CH2-O 3.41Å; W479-E484 HydrophobicContact CZ2-CB 3.4Å; W479-E484 VanDerWaalsContact CZ2-CB 3.4Å; W479-E484 HydrophobicContact CZ2-CG 4.03Å; W479-E484 WeakPolarHBondContact CZ3-O 3.49Å; W479-E484 VanDerWaalsContact NE1-CD 3.27Å; W479-E484 VanDerWaalsContact NE1-CG 3.29Å; W479-E484 PolarHBondContact NE1-OE1 3.38Å; W479-E484 PolarHBondContact O-N 2.95Å; W479-Y486 WeakPolarHBondContact CZ3-O 3.45Å; W479-A489 HydrophobicContact CB-CB 4.21Å; W479-A489 HydrophobicContact CE3-CB 4.39Å; W479-Q490 HydrophobicContact CD2-CG 3.52Å; W479-Q490 VanDerWaalsContact CD2-NE2 3.32Å; W479-Q490 HydrophobicContact CE3-CB 4.46Å; W479-Q490 HydrophobicContact CE3-CG 3.35Å; W479-Q490 HydrophobicContact CG-CG 4.23Å; W479-Q490 HydrophobicContact CH2-CG 3.76Å; W479-Q490 HydrophobicContact CZ2-CG 3.94Å; W479-Q490 HydrophobicContact CZ3-CB 4.36Å; W479-Q490 HydrophobicContact CZ3-CG 3.48Å; W479-Q490 VanDerWaalsContact CZ3-CG 3.48Å; W479-K512 HydrophobicContact CH2-CB 4.2Å; W479-K512 HydrophobicContact CZ2-CB 4.15Å; W479-K512 HydrophobicContact CZ2-CD 4.17Å; W479-L516 HydrophobicContact CH2-CD1 3.51Å; W479-L516 HydrophobicContact CH2-CG 4.49Å; W479-L516 HydrophobicContact CZ3-CD1 3.47Å; W479-L516 VanDerWaalsContact CZ3-CD1 3.47Å
480N96.2Very high94.5Very high91 Ų9151.1 Ų51.149%0.48726%0.255SS..Hα-helixtrans-65.7-43.5-179.8-67.1-13.3000111.7V476 K477 S482 N483V476-N480 WeakPolarHBondContact O-CB 3.4Å; V476-N480 VanDerWaalsContact O-CG 3.25Å; V476-N480 PolarHBondContact O-N 3.34Å; V476-N480 PolarHBondContact O-ND2 3.46Å; K477-N480 PolarHBondContact O-N 2.94Å; N480-S482 PolarHBondContact O-N 3.49Å; N480-N483 PolarHBondContact O-N 2.94Å
481L93.9Very high94.7Very high73 Ų7348.9 Ų48.938%0.38224%0.242SC..Hα-helixtrans-60.1-35.2177.2-17864.6000111.9E457 Y462 K477 N483E457-L481 HydrophobicContact CG-CD2 3.92Å; Y462-L481 HydrophobicContact CD2-CD2 3.94Å; Y462-L481 HydrophobicContact CE2-CD2 3.99Å; K477-L481 VanDerWaalsContact O-CB 3.25Å; K477-L481 WeakPolarHBondContact O-CB 3.29Å; K477-L481 PolarHBondContact O-N 3.39Å; L481-N483 PolarHBondContact O-N 3.37Å
482S91Very high94.7Very high5 Ų546.5 Ų46.54%0.03523%0.23CC..THydrogen-bonded Turntrans-785.6175.874.80000114.8S109 S478 W479 N480 E484 R485 Y486S109-S482 PolarHBondContact OG-O 2.98Å; S478-S482 WeakPolarHBondContact O-CB 3.5Å; S478-S482 PolarHBondContact O-N 2.92Å; S478-S482 PolarHBondContact O-OG 3.27Å; W479-S482 PolarHBondContact O-N 3.45Å; W479-S482 PolarHBondContact O-OG 2.92Å; N480-S482 PolarHBondContact O-N 3.49Å; S482-E484 PolarHBondContact O-N 3.48Å; S482-R485 WeakPolarHBondContact O-CB 3.35Å; S482-R485 PolarHBondContact O-N 2.83Å; S482-R485 VanDerWaalsContact O-N 3.13Å; S482-R485 PolarHBondContact OG-N 3.39Å; S482-Y486 VanDerWaalsContact CB-CB 3.41Å; S482-Y486 WeakPolarHBondContact OG-CB 3.39Å; S482-Y486 PolarHBondContact OG-N 3.14Å
483N93.5Very high94.8Very high134 Ų13445.9 Ų45.972%0.71722%0.223SC*.THydrogen-bonded Turntrans49.344.5-169.4-64.8-38.6000112N480 L481 R485N480-N483 PolarHBondContact O-N 2.94Å; L481-N483 PolarHBondContact O-N 3.37Å; N483-R485 VanDerWaalsContact C-N 3.27Å; N483-R485 WeakPolarHBondContact O-CG 3.41Å; N483-R485 PolarHBondContact O-N 3.32Å
484E93.6Very high94.8Very high98 Ų9840 Ų4046%0.45819%0.192SC..THydrogen-bonded Turntrans62.526.7178.9-50.3-151.3133.900115.2W479 S482W479-E484 HydrophobicContact CD2-CB 4.23Å; W479-E484 HydrophobicContact CD2-CG 4.47Å; W479-E484 VanDerWaalsContact CE2-CB 3.5Å; W479-E484 HydrophobicContact CH2-CB 4.02Å; W479-E484 WeakPolarHBondContact CH2-O 3.41Å; W479-E484 HydrophobicContact CZ2-CB 3.4Å; W479-E484 VanDerWaalsContact CZ2-CB 3.4Å; W479-E484 HydrophobicContact CZ2-CG 4.03Å; W479-E484 WeakPolarHBondContact CZ3-O 3.49Å; W479-E484 VanDerWaalsContact NE1-CD 3.27Å; W479-E484 VanDerWaalsContact NE1-CG 3.29Å; W479-E484 PolarHBondContact NE1-OE1 3.38Å; W479-E484 PolarHBondContact O-N 2.95Å; S482-E484 PolarHBondContact O-N 3.48Å
485R91.3Very high94.8Very high131 Ų13139.5 Ų39.549%0.49419%0.193SC..  trans-109-13.1-179.6-60.3-151179.6-142.45.1115D108 S482 N483 S487 L516D108-R485 CarbonylContact O-C 3.52Å; S482-R485 WeakPolarHBondContact O-CB 3.35Å; S482-R485 PolarHBondContact O-N 2.83Å; S482-R485 VanDerWaalsContact O-N 3.13Å; S482-R485 PolarHBondContact OG-N 3.39Å; N483-R485 VanDerWaalsContact C-N 3.27Å; N483-R485 WeakPolarHBondContact O-CG 3.41Å; N483-R485 PolarHBondContact O-N 3.32Å; R485-S487 PolarHBondContact O-N 3.44Å; R485-L516 WeakPolarHBondContact O-CD1 3.41Å
486Y90.8Very high94.8Very high8 Ų839.6 Ų39.63%0.03119%0.193CC..  trans-86.195.2-179.3-171.1-137.3000112.1E110 A459 E460 C463 S478 W479 S482 R488 A489E110-Y486 HydrophobicContact CG-CD2 3.74Å; E110-Y486 HydrophobicContact CG-CE2 3.66Å; A459-Y486 HydrophobicContact CB-CD1 3.9Å; A459-Y486 HydrophobicContact CB-CG 4.3Å; E460-Y486 HydrophobicContact CB-CE1 4.39Å; C463-Y486 HydrophobicContact CB-CE1 3.83Å; S478-Y486 WeakPolarHBondContact OG-CD1 3.37Å; W479-Y486 WeakPolarHBondContact CZ3-O 3.45Å; S482-Y486 VanDerWaalsContact CB-CB 3.41Å; S482-Y486 WeakPolarHBondContact OG-CB 3.39Å; S482-Y486 PolarHBondContact OG-N 3.14Å; Y486-R488 HydrophobicContact CD1-CB 4.39Å; Y486-R488 HydrophobicContact CD2-CB 4.35Å; Y486-R488 HydrophobicContact CE1-CB 3.88Å; Y486-R488 HydrophobicContact CE2-CB 3.79Å; Y486-R488 PolarHBondContact O-N 2.83Å; Y486-R488 VanDerWaalsContact O-N 3.14Å; Y486-R488 WeakPolarHBondContact OH-CD 3.4Å; Y486-A489 HydrophobicContact CD1-CB 3.98Å; Y486-A489 WeakPolarHBondContact O-CB 3.35Å; Y486-A489 PolarHBondContact O-N 3.29Å; Y486-A489 VanDerWaalsContact O-N 3.16Å
487S91.9Very high94.9Very high10 Ų1037.5 Ų37.57%0.0718%0.18CC..Hα-helixtrans-54.8-34.6-176.3178.80000113.7R485 A489 Q490 R491 A513R485-S487 PolarHBondContact O-N 3.44Å; S487-A489 VanDerWaalsContact C-N 3.32Å; S487-A489 PolarHBondContact O-N 2.88Å; S487-Q490 PolarHBondContact O-N 2.94Å; S487-R491 PolarHBondContact O-N 3.34Å; S487-A513 PolarHBondContact OG-O 2.89Å
488R92.2Very high94.9Very high24 Ų2434.8 Ų34.89%0.09117%0.169CC..Hα-helixtrans-63.5-38.5-177.5-174.8-172.1-178.8142.52.4111.8D430 Y464 E467 Y486 Q490 R491 S492D430-R488 VanDerWaalsContact CG-NH1 3.28Å; D430-R488 IonicContact OD1-CZ 3.11Å; D430-R488 IonicContact OD1-NH1 3.74Å; D430-R488 PolarHBondContact OD1-NH1 3.32Å; D430-R488 IonicContact OD1-NH2 2.83Å; D430-R488 PolarHBondContact OD1-NH2 2.91Å; D430-R488 IonicContact OD2-NH1 2.69Å; D430-R488 PolarHBondContact OD2-NH1 3.45Å; D430-R488 VanDerWaalsContact OD2-NH1 3.13Å; Y464-R488 PolarHBondContact OH-NH1 3.16Å; E467-R488 VanDerWaalsContact CD-NH2 3.33Å; E467-R488 IonicContact OE1-CZ 3.99Å; E467-R488 IonicContact OE1-NE 3.08Å; E467-R488 PolarHBondContact OE1-NE 2.92Å; E467-R488 IonicContact OE1-NH2 2.98Å; E467-R488 PolarHBondContact OE1-NH2 3.14Å; E467-R488 IonicContact OE2-CZ 2.81Å; E467-R488 IonicContact OE2-NH2 3.83Å; E467-R488 PolarHBondContact OE2-NH2 3.18Å; Y486-R488 HydrophobicContact CD1-CB 4.39Å; Y486-R488 HydrophobicContact CD2-CB 4.35Å; Y486-R488 HydrophobicContact CE1-CB 3.88Å; Y486-R488 HydrophobicContact CE2-CB 3.79Å; Y486-R488 PolarHBondContact O-N 2.83Å; Y486-R488 VanDerWaalsContact O-N 3.14Å; Y486-R488 WeakPolarHBondContact OH-CD 3.4Å; R488-Q490 VanDerWaalsContact C-N 3.3Å; R488-Q490 PolarHBondContact O-N 3.27Å; R488-R491 PolarHBondContact O-N 3.17Å; R488-R491 VanDerWaalsContact O-N 3.16Å; R488-S492 WeakPolarHBondContact O-CB 3.18Å; R488-S492 PolarHBondContact O-N 2.77Å; R488-S492 PolarHBondContact O-OG 3.5Å
489A94.9Very high94.9Very high0 Ų041.7 Ų41.70%020%0.195CC..Hα-helixtrans-55.2-47.7-178.800000111.6S478 W479 Y486 S487 L493S478-A489 WeakPolarHBondContact OG-CB 3.49Å; W479-A489 HydrophobicContact CB-CB 4.21Å; W479-A489 HydrophobicContact CE3-CB 4.39Å; Y486-A489 HydrophobicContact CD1-CB 3.98Å; Y486-A489 WeakPolarHBondContact O-CB 3.35Å; Y486-A489 PolarHBondContact O-N 3.29Å; Y486-A489 VanDerWaalsContact O-N 3.16Å; S487-A489 VanDerWaalsContact C-N 3.32Å; S487-A489 PolarHBondContact O-N 2.88Å; A489-L493 VanDerWaalsContact O-CB 3.28Å; A489-L493 WeakPolarHBondContact O-CB 3.5Å; A489-L493 PolarHBondContact O-N 3.32Å
490Q97Very high94.9Very high8 Ų845.1 Ų45.14%0.03721%0.212CC..Hα-helixtrans-73.2-33.8179.6-70.7-66.2-28.500112.8W479 S487 R488 G494 A509 K512 A513W479-Q490 HydrophobicContact CD2-CG 3.52Å; W479-Q490 VanDerWaalsContact CD2-NE2 3.32Å; W479-Q490 HydrophobicContact CE3-CB 4.46Å; W479-Q490 HydrophobicContact CE3-CG 3.35Å; W479-Q490 HydrophobicContact CG-CG 4.23Å; W479-Q490 HydrophobicContact CH2-CG 3.76Å; W479-Q490 HydrophobicContact CZ2-CG 3.94Å; W479-Q490 HydrophobicContact CZ3-CB 4.36Å; W479-Q490 HydrophobicContact CZ3-CG 3.48Å; W479-Q490 VanDerWaalsContact CZ3-CG 3.48Å; S487-Q490 PolarHBondContact O-N 2.94Å; R488-Q490 VanDerWaalsContact C-N 3.3Å; R488-Q490 PolarHBondContact O-N 3.27Å; Q490-G494 PolarHBondContact O-N 3.38Å; Q490-A509 WeakPolarHBondContact CB-O 3.47Å; Q490-A509 WeakPolarHBondContact O-CB 3.38Å; Q490-K512 HydrophobicContact CB-CB 4.09Å; Q490-K512 HydrophobicContact CG-CB 3.76Å; Q490-K512 HydrophobicContact CG-CD 4.28Å; Q490-A513 HydrophobicContact CB-CB 3.98Å
491R95.7Very high95Very high21 Ų2149.5 Ų49.58%0.07922%0.222CC..Hα-helixtrans-64.4-49.2172.9177.517769.7-151.1-7.7111.7R160 S487 R488 L493 G494 D495 F510 A513 D520 S523R160-R491 VanDerWaalsContact NH1-NH1 3.19Å; S487-R491 PolarHBondContact O-N 3.34Å; R488-R491 PolarHBondContact O-N 3.17Å; R488-R491 VanDerWaalsContact O-N 3.16Å; R491-L493 VanDerWaalsContact C-N 3.31Å; R491-L493 PolarHBondContact O-N 2.91Å; R491-G494 CarbonylContact O-C 3.52Å; R491-G494 WeakPolarHBondContact O-CA 3.38Å; R491-G494 PolarHBondContact O-N 3.17Å; R491-G494 VanDerWaalsContact O-N 3.12Å; R491-D495 PolarHBondContact O-N 2.96Å; R491-F510 HydrophobicContact CG-CE1 4.4Å; R491-A513 HydrophobicContact CB-CB 4.07Å; R491-D520 WeakPolarHBondContact CD-OD2 3.4Å; R491-D520 IonicContact CZ-OD2 2.67Å; R491-D520 IonicContact NE-OD2 2.77Å; R491-D520 IonicContact NH1-OD1 3.03Å; R491-D520 IonicContact NH1-OD2 3.19Å; R491-D520 PolarHBondContact NH1-OD2 2.95Å; R491-S523 WeakPolarHBondContact CD-OG 3.42Å; R491-S523 WeakPolarHBondContact CG-OG 3.46Å
492S95.7Very high95.1Very high10 Ų1051 Ų517%0.0723%0.225CC..Hα-helixtrans-66.2-36.3-179.3-63.60000111.1E467 R488 D495 L496E467-S492 PolarHBondContact OE1-OG 2.78Å; R488-S492 WeakPolarHBondContact O-CB 3.18Å; R488-S492 PolarHBondContact O-N 2.77Å; R488-S492 PolarHBondContact O-OG 3.5Å; S492-D495 PolarHBondContact O-N 3.29Å; S492-L496 PolarHBondContact O-N 3.47Å
493L97.8Very high95.5Very high17 Ų1752.7 Ų52.79%0.08923%0.231CC..Hα-helixtrans-59.6-47.2167.7-179.958.8000111.8A472 F475 A489 R491 D495 L496 L497 A509A472-L493 HydrophobicContact CB-CD1 3.72Å; F475-L493 HydrophobicContact CB-CB 3.81Å; F475-L493 HydrophobicContact CB-CD1 4.32Å; F475-L493 HydrophobicContact CB-CG 4.45Å; F475-L493 HydrophobicContact CD2-CB 3.96Å; F475-L493 HydrophobicContact CD2-CD1 4.03Å; F475-L493 HydrophobicContact CG-CB 4.05Å; A489-L493 VanDerWaalsContact O-CB 3.28Å; A489-L493 WeakPolarHBondContact O-CB 3.5Å; A489-L493 PolarHBondContact O-N 3.32Å; R491-L493 VanDerWaalsContact C-N 3.31Å; R491-L493 PolarHBondContact O-N 2.91Å; L493-D495 PolarHBondContact O-N 3.21Å; L493-L496 PolarHBondContact O-N 2.98Å; L493-L497 HydrophobicContact CD1-CD1 3.9Å; L493-L497 HydrophobicContact CD1-CG 4.09Å; L493-L497 HydrophobicContact CG-CD1 3.77Å; L493-L497 HydrophobicContact CG-CG 4.39Å; L493-L497 WeakPolarHBondContact O-CB 3.29Å; L493-L497 VanDerWaalsContact O-CG 3.24Å; L493-L497 WeakPolarHBondContact O-CG 3.46Å; L493-L497 PolarHBondContact O-N 2.73Å; L493-A509 HydrophobicContact CB-CB 4.49Å; L493-A509 HydrophobicContact CD2-CB 4.36Å; L493-A509 HydrophobicContact CG-CB 4.25Å
494G97.6Very high95.6Very high0 Ų051 Ų510%022%0.219CC..Hα-helixtrans-59.1-43.8175.800000112.9Q490 R491 L497 L498Q490-G494 PolarHBondContact O-N 3.38Å; R491-G494 CarbonylContact O-C 3.52Å; R491-G494 WeakPolarHBondContact O-CA 3.38Å; R491-G494 PolarHBondContact O-N 3.17Å; R491-G494 VanDerWaalsContact O-N 3.12Å; G494-L497 PolarHBondContact O-N 2.89Å; G494-L498 WeakPolarHBondContact O-CB 3.38Å; G494-L498 PolarHBondContact O-N 3.48Å
495D97.2Very high95.8Very high38 Ų3850.5 Ų50.520%0.20322%0.219CC..Hα-helixtrans-64.1-39176.2-80.6-10.2000111.6R491 S492 L493 R499 F510 K522R491-D495 PolarHBondContact O-N 2.96Å; S492-D495 PolarHBondContact O-N 3.29Å; L493-D495 PolarHBondContact O-N 3.21Å; D495-R499 WeakPolarHBondContact O-CG 3.31Å; D495-R499 PolarHBondContact O-N 2.57Å; D495-R499 VanDerWaalsContact O-N 3.13Å; D495-F510 WeakPolarHBondContact OD1-CZ 3.43Å; D495-K522 IonicContact OD2-NZ 2.61Å
496L96.7Very high96.1Very high3 Ų344.2 Ų44.22%0.01620%0.195CC..Hα-helixtrans-65.3-49.7173.6176.665.7000111.5D470 A472 F475 S492 L493 L498 R499 Q500D470-L496 HydrophobicContact CB-CD1 3.89Å; D470-L496 WeakPolarHBondContact O-CD2 3.47Å; A472-L496 HydrophobicContact CB-CD2 3.97Å; F475-L496 HydrophobicContact CD2-CD2 4.22Å; F475-L496 HydrophobicContact CE2-CB 4.1Å; F475-L496 HydrophobicContact CE2-CD2 3.76Å; S492-L496 PolarHBondContact O-N 3.47Å; L493-L496 PolarHBondContact O-N 2.98Å; L496-L498 VanDerWaalsContact C-N 3.29Å; L496-L498 PolarHBondContact O-N 2.87Å; L496-R499 WeakPolarHBondContact O-CB 3.18Å; L496-R499 PolarHBondContact O-N 3.01Å; L496-R499 VanDerWaalsContact O-N 3.16Å; L496-Q500 WeakPolarHBondContact O-CG 3.28Å; L496-Q500 PolarHBondContact O-N 3.39Å
497L97.6Very high96.5Very high15 Ų1544.4 Ų44.48%0.07920%0.197CC..Hα-helixtrans-62.4-36.9179.4-69.9167.6000111.8L493 G494 Q500 R501 K502 D505 A506 A509L493-L497 HydrophobicContact CD1-CD1 3.9Å; L493-L497 HydrophobicContact CD1-CG 4.09Å; L493-L497 HydrophobicContact CG-CD1 3.77Å; L493-L497 HydrophobicContact CG-CG 4.39Å; L493-L497 WeakPolarHBondContact O-CB 3.29Å; L493-L497 VanDerWaalsContact O-CG 3.24Å; L493-L497 WeakPolarHBondContact O-CG 3.46Å; L493-L497 PolarHBondContact O-N 2.73Å; G494-L497 PolarHBondContact O-N 2.89Å; L497-Q500 CarbonylContact O-C 3.57Å; L497-Q500 PolarHBondContact O-N 3.02Å; L497-R501 PolarHBondContact O-N 3.24Å; L497-K502 HydrophobicContact CB-CB 4.36Å; L497-K502 HydrophobicContact CD2-CB 4.09Å; L497-K502 HydrophobicContact CD2-CD 3.77Å; L497-K502 PolarHBondContact O-N 3.25Å; L497-D505 HydrophobicContact CD1-CB 3.69Å; L497-D505 HydrophobicContact CD2-CB 4.12Å; L497-D505 HydrophobicContact CG-CB 4.42Å; L497-A506 HydrophobicContact CB-CB 3.82Å; L497-A509 HydrophobicContact CD1-CB 4.32Å
498L97.1Very high96.7Very high33 Ų3347.3 Ų47.317%0.17321%0.214CC..Hα-helixtrans-61.8-45.8173.2173.858000111.5G494 L496 Q500 R501 Y503 F529G494-L498 WeakPolarHBondContact O-CB 3.38Å; G494-L498 PolarHBondContact O-N 3.48Å; L496-L498 VanDerWaalsContact C-N 3.29Å; L496-L498 PolarHBondContact O-N 2.87Å; L498-Q500 VanDerWaalsContact C-N 3.27Å; L498-Q500 PolarHBondContact O-N 3.46Å; L498-R501 WeakPolarHBondContact O-CA 3.49Å; L498-R501 PolarHBondContact O-N 2.91Å; L498-Y503 HydrophobicContact CD1-CD1 4.18Å; L498-Y503 HydrophobicContact CD1-CE1 3.98Å; L498-F529 HydrophobicContact CD1-CD1 3.63Å; L498-F529 HydrophobicContact CD1-CE1 3.7Å
499R96Very high97Very high145 Ų14546.3 Ų46.355%0.54721%0.211SC..Hα-helixtrans-60.2-37.7173.5-74.4-175.6-69.8144.5-6.6111.9D470 D495 L496 R501D470-R499 VanDerWaalsContact CG-NH1 3.3Å; D470-R499 IonicContact OD1-CZ 2.69Å; D470-R499 IonicContact OD1-NH1 3.31Å; D470-R499 PolarHBondContact OD1-NH1 2.92Å; D470-R499 VanDerWaalsContact OD1-NH1 3.11Å; D470-R499 IonicContact OD1-NH2 2.78Å; D470-R499 PolarHBondContact OD1-NH2 3.43Å; D470-R499 IonicContact OD2-CZ 3.1Å; D470-R499 IonicContact OD2-NH1 3.57Å; D470-R499 PolarHBondContact OD2-NH1 3.4Å; D470-R499 IonicContact OD2-NH2 3.61Å; D495-R499 WeakPolarHBondContact O-CG 3.31Å; D495-R499 PolarHBondContact O-N 2.57Å; D495-R499 VanDerWaalsContact O-N 3.13Å; L496-R499 WeakPolarHBondContact O-CB 3.18Å; L496-R499 PolarHBondContact O-N 3.01Å; L496-R499 VanDerWaalsContact O-N 3.16Å; R499-R501 PolarHBondContact O-N 3Å
500Q96.2Very high97.2Very high84 Ų8446.3 Ų46.339%0.39321%0.211SC..THydrogen-bonded Turntrans-76.60.5174.1-64.9-179.57.100114L496 L497 L498 K502L496-Q500 WeakPolarHBondContact O-CG 3.28Å; L496-Q500 PolarHBondContact O-N 3.39Å; L497-Q500 CarbonylContact O-C 3.57Å; L497-Q500 PolarHBondContact O-N 3.02Å; L498-Q500 VanDerWaalsContact C-N 3.27Å; L498-Q500 PolarHBondContact O-N 3.46Å; Q500-K502 HydrophobicContact CB-CD 4.38Å; Q500-K502 HydrophobicContact CB-CG 4.29Å; Q500-K502 PolarHBondContact O-N 2.89Å
501R96.9Very high97.2Very high183 Ų18350.1 Ų50.169%0.69123%0.229SC*.THydrogen-bonded Turntrans60.119.7-177-54178.2176.4-113.42.1114.7L497 L498 R499 Y503L497-R501 PolarHBondContact O-N 3.24Å; L498-R501 WeakPolarHBondContact O-CA 3.49Å; L498-R501 PolarHBondContact O-N 2.91Å; R499-R501 PolarHBondContact O-N 3Å; R501-Y503 VanDerWaalsContact C-N 3.28Å; R501-Y503 HydrophobicContact CB-CE1 4.41Å; R501-Y503 HydrophobicContact CB-CE2 4.13Å; R501-Y503 VanDerWaalsContact O-CD2 3.32Å; R501-Y503 WeakPolarHBondContact O-CD2 3.37Å; R501-Y503 WeakPolarHBondContact O-CE2 3.47Å; R501-Y503 PolarHBondContact O-N 3Å
502K97.4Very high97.2Very high103 Ų10352.2 Ų52.245%0.44824%0.238SC..  trans-8371.7173.6-67.2177.7-179.3164.10109.9L497 Q500 E504 D505 A506L497-K502 HydrophobicContact CB-CB 4.36Å; L497-K502 HydrophobicContact CD2-CB 4.09Å; L497-K502 HydrophobicContact CD2-CD 3.77Å; L497-K502 PolarHBondContact O-N 3.25Å; Q500-K502 HydrophobicContact CB-CD 4.38Å; Q500-K502 HydrophobicContact CB-CG 4.29Å; Q500-K502 PolarHBondContact O-N 2.89Å; K502-E504 VanDerWaalsContact C-N 3.34Å; K502-E504 PolarHBondContact O-N 3.33Å; K502-D505 PolarHBondContact O-N 3.44Å; K502-A506 WeakPolarHBondContact O-CB 3.26Å; K502-A506 PolarHBondContact O-N 2.98Å
503Y97.7Very high97.2Very high41 Ų4151.8 Ų51.816%0.16124%0.235CC..Hα-helixtrans-64.6-32.9-168.8-55.8-60.7000114.3L498 R501 L507 F529 K533L498-Y503 HydrophobicContact CD1-CD1 4.18Å; L498-Y503 HydrophobicContact CD1-CE1 3.98Å; R501-Y503 VanDerWaalsContact C-N 3.28Å; R501-Y503 HydrophobicContact CB-CE1 4.41Å; R501-Y503 HydrophobicContact CB-CE2 4.13Å; R501-Y503 VanDerWaalsContact O-CD2 3.32Å; R501-Y503 WeakPolarHBondContact O-CD2 3.37Å; R501-Y503 WeakPolarHBondContact O-CE2 3.47Å; R501-Y503 PolarHBondContact O-N 3Å; Y503-L507 VanDerWaalsContact O-CG 3.31Å; Y503-L507 WeakPolarHBondContact O-CG 3.47Å; Y503-L507 PolarHBondContact O-N 3.07Å; Y503-F529 HydrophobicContact CE1-CE1 4.26Å; Y503-K533 HydrophobicContact CD1-CB 4Å; Y503-K533 HydrophobicContact CD1-CG 4.27Å; Y503-K533 HydrophobicContact CD2-CB 3.8Å; Y503-K533 HydrophobicContact CE1-CB 4Å; Y503-K533 HydrophobicContact CE1-CG 3.85Å; Y503-K533 HydrophobicContact CE2-CB 3.79Å; Y503-K533 HydrophobicContact CE2-CG 4.19Å; Y503-K533 HydrophobicContact CG-CB 3.91Å
504E97.1Very high97.1Very high99 Ų9951.5 Ų51.546%0.46323%0.234SC..Hα-helixtrans-66.3-51.1179.8-161.366.7-145.400111.2K502 A506 L507 V508 K534K502-E504 VanDerWaalsContact C-N 3.34Å; K502-E504 PolarHBondContact O-N 3.33Å; E504-A506 VanDerWaalsContact C-N 3.3Å; E504-A506 PolarHBondContact O-N 3.15Å; E504-L507 WeakPolarHBondContact O-CB 3.48Å; E504-L507 PolarHBondContact O-N 2.96Å; E504-V508 PolarHBondContact O-N 2.88Å; E504-K534 WeakPolarHBondContact OE2-CE 3.43Å; E504-K534 IonicContact OE2-NZ 3.51Å; E504-K534 PolarHBondContact OE2-NZ 3.41Å
505D97.2Very high96.9Very high87 Ų8759.6 Ų59.647%0.46526%0.264SS..Hα-helixtrans-64.5-38.4178.4-54.8-35.9000110.9L497 K502 L507 V508 A509L497-D505 HydrophobicContact CD1-CB 3.69Å; L497-D505 HydrophobicContact CD2-CB 4.12Å; L497-D505 HydrophobicContact CG-CB 4.42Å; K502-D505 PolarHBondContact O-N 3.44Å; D505-L507 VanDerWaalsContact C-N 3.33Å; D505-L507 PolarHBondContact O-N 3.46Å; D505-V508 PolarHBondContact O-N 3.42Å; D505-A509 PolarHBondContact O-N 3.3Å
506A97.9Very high96.6Very high0 Ų059.3 Ų59.30%026%0.263CS..Hα-helixtrans-62.1-39.7175.800000111.8L497 K502 E504 A509 F510L497-A506 HydrophobicContact CB-CB 3.82Å; K502-A506 WeakPolarHBondContact O-CB 3.26Å; K502-A506 PolarHBondContact O-N 2.98Å; E504-A506 VanDerWaalsContact C-N 3.3Å; E504-A506 PolarHBondContact O-N 3.15Å; A506-A509 PolarHBondContact O-N 3.39Å; A506-F510 HydrophobicContact CB-CD2 4.44Å; A506-F510 HydrophobicContact CB-CE2 4.24Å; A506-F510 WeakPolarHBondContact O-CD2 3.36Å; A506-F510 WeakPolarHBondContact O-CG 3.44Å; A506-F510 PolarHBondContact O-N 3.28Å
507L98.1Very high96.2Very high11 Ų1159.9 Ų59.96%0.05827%0.266CS..Hα-helixtrans-57.6-52.5172.9-76169.9000110Y503 E504 D505 A509 F510 E511 R527 C530 A531 K534 L539Y503-L507 VanDerWaalsContact O-CG 3.31Å; Y503-L507 WeakPolarHBondContact O-CG 3.47Å; Y503-L507 PolarHBondContact O-N 3.07Å; E504-L507 WeakPolarHBondContact O-CB 3.48Å; E504-L507 PolarHBondContact O-N 2.96Å; D505-L507 VanDerWaalsContact C-N 3.33Å; D505-L507 PolarHBondContact O-N 3.46Å; L507-A509 VanDerWaalsContact C-N 3.31Å; L507-A509 PolarHBondContact O-N 2.88Å; L507-F510 PolarHBondContact O-N 3.23Å; L507-E511 PolarHBondContact O-N 3.39Å; L507-R527 HydrophobicContact CD2-CG 3.72Å; L507-R527 WeakPolarHBondContact CD2-O 2.94Å; L507-R527 PolarHBondContact O-NH1 3.21Å; L507-C530 HydrophobicContact CD2-CB 3.66Å; L507-C530 HydrophobicContact CG-CB 3.75Å; L507-A531 HydrophobicContact CD2-CB 4.16Å; L507-K534 HydrophobicContact CD1-CG 4.19Å; L507-L539 HydrophobicContact CD2-CD2 4.05Å
508V97.7Very high95.9Very high72 Ų7261 Ų6144%0.43627%0.273SS..Hα-helixtrans-57.9-43.9-179.8178.50000111.6E504 D505 E511 K512E504-V508 PolarHBondContact O-N 2.88Å; D505-V508 PolarHBondContact O-N 3.42Å; V508-E511 VanDerWaalsContact O-CB 3.31Å; V508-E511 WeakPolarHBondContact O-CB 3.32Å; V508-E511 PolarHBondContact O-N 3.26Å; V508-K512 PolarHBondContact O-N 3.07Å; V508-K512 VanDerWaalsContact O-N 3.14Å
509A97.5Very high95.5Very high3 Ų361 Ų613%0.02527%0.273CS..Hα-helixtrans-63.1-48.2178.600000112.2Q490 L493 L497 D505 A506 L507 E511 K512 A513Q490-A509 WeakPolarHBondContact CB-O 3.47Å; Q490-A509 WeakPolarHBondContact O-CB 3.38Å; L493-A509 HydrophobicContact CB-CB 4.49Å; L493-A509 HydrophobicContact CD2-CB 4.36Å; L493-A509 HydrophobicContact CG-CB 4.25Å; L497-A509 HydrophobicContact CD1-CB 4.32Å; D505-A509 PolarHBondContact O-N 3.3Å; A506-A509 PolarHBondContact O-N 3.39Å; L507-A509 VanDerWaalsContact C-N 3.31Å; L507-A509 PolarHBondContact O-N 2.88Å; A509-E511 PolarHBondContact O-N 3.2Å; A509-K512 PolarHBondContact O-N 2.91Å; A509-A513 PolarHBondContact O-N 3.26Å
510F98.2Very high95.2Very high0 Ų054.5 Ų54.50%025%0.25CC..Hα-helixtrans-63.3-30.3175.6-70.8-54.5000112.6R491 D495 A506 L507 L514 S526 R527R491-F510 HydrophobicContact CG-CE1 4.4Å; D495-F510 WeakPolarHBondContact OD1-CZ 3.43Å; A506-F510 HydrophobicContact CB-CD2 4.44Å; A506-F510 HydrophobicContact CB-CE2 4.24Å; A506-F510 WeakPolarHBondContact O-CD2 3.36Å; A506-F510 WeakPolarHBondContact O-CG 3.44Å; A506-F510 PolarHBondContact O-N 3.28Å; L507-F510 PolarHBondContact O-N 3.23Å; F510-L514 VanDerWaalsContact O-CB 3.28Å; F510-L514 WeakPolarHBondContact O-CB 3.48Å; F510-L514 WeakPolarHBondContact O-CD1 3.29Å; F510-L514 WeakPolarHBondContact O-CG 3.45Å; F510-L514 PolarHBondContact O-N 2.86Å; F510-S526 VanDerWaalsContact CZ-CB 3.4Å; F510-R527 HydrophobicContact CB-CB 3.87Å; F510-R527 HydrophobicContact CB-CG 4.18Å; F510-R527 HydrophobicContact CD2-CB 4.35Å; F510-R527 HydrophobicContact CG-CB 4.31Å
511E97.7Very high94.9Very high88 Ų8851.2 Ų51.241%0.41124%0.235SC..Hα-helixtrans-61.8-48.3173.6-157.2169.4137.200112.1L507 V508 A509 A513 L514 R515 R527L507-E511 PolarHBondContact O-N 3.39Å; V508-E511 VanDerWaalsContact O-CB 3.31Å; V508-E511 WeakPolarHBondContact O-CB 3.32Å; V508-E511 PolarHBondContact O-N 3.26Å; A509-E511 PolarHBondContact O-N 3.2Å; E511-A513 VanDerWaalsContact C-N 3.33Å; E511-A513 PolarHBondContact O-N 2.72Å; E511-L514 PolarHBondContact O-N 2.62Å; E511-R515 WeakPolarHBondContact O-CB 3.41Å; E511-R515 PolarHBondContact O-N 3.07Å; E511-R527 IonicContact OE2-CZ 2.71Å; E511-R527 IonicContact OE2-NH1 2.68Å; E511-R527 IonicContact OE2-NH2 3.15Å; E511-R527 PolarHBondContact OE2-NH2 3.41Å
512K96.7Very high94.7Very high64 Ų6447.9 Ų47.928%0.27823%0.225SC..Hα-helixtrans-62.6-42.6179.5-68.7179.3176.8-170.20110.7W479 Q490 V508 A509 R515W479-K512 HydrophobicContact CH2-CB 4.2Å; W479-K512 HydrophobicContact CZ2-CB 4.15Å; W479-K512 HydrophobicContact CZ2-CD 4.17Å; Q490-K512 HydrophobicContact CB-CB 4.09Å; Q490-K512 HydrophobicContact CG-CB 3.76Å; Q490-K512 HydrophobicContact CG-CD 4.28Å; V508-K512 PolarHBondContact O-N 3.07Å; V508-K512 VanDerWaalsContact O-N 3.14Å; A509-K512 PolarHBondContact O-N 2.91Å; K512-R515 PolarHBondContact O-N 2.96Å
513A95.5Very high94.7Very high1 Ų143 Ų431%0.00820%0.204CC..Hα-helixtrans-61.3-49.4174.900000112.1S487 Q490 R491 A509 E511 R515 L516 Q517S487-A513 PolarHBondContact OG-O 2.89Å; Q490-A513 HydrophobicContact CB-CB 3.98Å; R491-A513 HydrophobicContact CB-CB 4.07Å; A509-A513 PolarHBondContact O-N 3.26Å; E511-A513 VanDerWaalsContact C-N 3.33Å; E511-A513 PolarHBondContact O-N 2.72Å; A513-R515 VanDerWaalsContact C-N 3.27Å; A513-R515 PolarHBondContact O-N 2.87Å; A513-L516 PolarHBondContact O-N 2.63Å; A513-L516 VanDerWaalsContact O-N 3.14Å; A513-Q517 PolarHBondContact O-N 3.1Å
514L95.2Very high94.6Very high11 Ų1142.2 Ų42.26%0.05820%0.201CC..Hα-helixtrans-69.5-22.2-177.4-72169.9000113.7F510 E511 L516 Q517 P518 W524 R527F510-L514 VanDerWaalsContact O-CB 3.28Å; F510-L514 WeakPolarHBondContact O-CB 3.48Å; F510-L514 WeakPolarHBondContact O-CD1 3.29Å; F510-L514 WeakPolarHBondContact O-CG 3.45Å; F510-L514 PolarHBondContact O-N 2.86Å; E511-L514 PolarHBondContact O-N 2.62Å; L514-L516 VanDerWaalsContact C-N 3.3Å; L514-Q517 CarbonylContact O-C 3.56Å; L514-P518 VanDerWaalsContact O-CA 3.31Å; L514-P518 WeakPolarHBondContact O-CA 3.04Å; L514-P518 WeakPolarHBondContact O-CB 3.42Å; L514-W524 HydrophobicContact CB-CZ2 4.49Å; L514-W524 HydrophobicContact CD1-CD2 3.65Å; L514-W524 HydrophobicContact CD1-CE3 3.74Å; L514-W524 HydrophobicContact CD1-CG 4.09Å; L514-W524 HydrophobicContact CD1-CH2 4.36Å; L514-W524 HydrophobicContact CD1-CZ2 4.29Å; L514-W524 HydrophobicContact CD1-CZ3 4.11Å; L514-W524 HydrophobicContact CD2-CD2 3.99Å; L514-W524 HydrophobicContact CD2-CG 3.84Å; L514-W524 HydrophobicContact CD2-CZ2 4.5Å; L514-W524 HydrophobicContact CG-CD2 4.41Å; L514-R527 HydrophobicContact CD1-CB 4.33Å
515R93.6Very high94.7Very high170 Ų17039.4 Ų39.464%0.64219%0.187SC*.Hα-helixtrans-63.9-37.6171.4-172.1-174.2-56.8177.10.9111.8E511 K512 A513E511-R515 WeakPolarHBondContact O-CB 3.41Å; E511-R515 PolarHBondContact O-N 3.07Å; K512-R515 PolarHBondContact O-N 2.96Å; A513-R515 VanDerWaalsContact C-N 3.27Å; A513-R515 PolarHBondContact O-N 2.87Å
516L89.8Confident94.7Very high32 Ų3235.9 Ų35.917%0.16817%0.169CC..Hα-helixtrans-84.9-42.2178.8-63.4169.8000111.2L163 W479 R485 A513 L514L163-L516 WeakPolarHBondContact CD2-O 3.37Å; W479-L516 HydrophobicContact CH2-CD1 3.51Å; W479-L516 HydrophobicContact CH2-CG 4.49Å; W479-L516 HydrophobicContact CZ3-CD1 3.47Å; W479-L516 VanDerWaalsContact CZ3-CD1 3.47Å; R485-L516 WeakPolarHBondContact O-CD1 3.41Å; A513-L516 PolarHBondContact O-N 2.63Å; A513-L516 VanDerWaalsContact O-N 3.14Å; L514-L516 VanDerWaalsContact C-N 3.3Å
517Q89.1Confident94.7Very high16 Ų1636.8 Ų36.88%0.07517%0.173CC..  trans-127.978.7-177.3-165.354.238.700112.4R161 A513 L514 L519 D520R161-Q517 PolarHBondContact O-NE2 3Å; R161-Q517 PolarHBondContact O-OE1 3.06Å; R161-Q517 VanDerWaalsContact O-OE1 3.08Å; A513-Q517 PolarHBondContact O-N 3.1Å; L514-Q517 CarbonylContact O-C 3.56Å; Q517-L519 PolarHBondContact O-N 3Å; Q517-D520 HydrophobicContact CG-CB 4.21Å; Q517-D520 WeakPolarHBondContact O-CB 3.21Å; Q517-D520 PolarHBondContact O-N 3.37Å
518P91.2Very high94.7Very high37 Ų3736.3 Ų36.324%0.2417%0.17CC..THydrogen-bonded Turntrans-71.9-12.9-177.128.5-35.8000113.9L163 L514 D520 W524L163-P518 HydrophobicContact CD1-CG 3.71Å; L163-P518 HydrophobicContact CD2-CG 4.07Å; L163-P518 HydrophobicContact CG-CG 4.45Å; L514-P518 VanDerWaalsContact O-CA 3.31Å; L514-P518 WeakPolarHBondContact O-CA 3.04Å; L514-P518 WeakPolarHBondContact O-CB 3.42Å; P518-D520 VanDerWaalsContact C-N 3.28Å; P518-W524 PolarHBondContact O-NE1 3.48Å
519L88Confident94.7Very high34 Ų3436.3 Ų36.318%0.17816%0.164CC..THydrogen-bonded Turntrans-88.510.5175.2-59.4177.2000113.1A166 Y205 Y206 Q517 L521A166-L519 HydrophobicContact CB-CD1 4.06Å; Y205-L519 HydrophobicContact CD1-CD1 4.24Å; Y206-L519 HydrophobicContact CD2-CD2 4.39Å; Q517-L519 PolarHBondContact O-N 3Å; L519-L521 PolarHBondContact O-N 3.43Å
520D90.2Very high94.7Very high9 Ų936.1 Ų36.15%0.04816%0.163CC..  trans-85.688.3174.5-169.420000111.5R160 R491 Q517 P518 K522 S523 W524R160-D520 IonicContact NH1-OD1 2.78Å; R160-D520 PolarHBondContact NH1-OD1 3.22Å; R491-D520 WeakPolarHBondContact CD-OD2 3.4Å; R491-D520 IonicContact CZ-OD2 2.67Å; R491-D520 IonicContact NE-OD2 2.77Å; R491-D520 IonicContact NH1-OD1 3.03Å; R491-D520 IonicContact NH1-OD2 3.19Å; R491-D520 PolarHBondContact NH1-OD2 2.95Å; Q517-D520 HydrophobicContact CG-CB 4.21Å; Q517-D520 WeakPolarHBondContact O-CB 3.21Å; Q517-D520 PolarHBondContact O-N 3.37Å; P518-D520 VanDerWaalsContact C-N 3.28Å; D520-K522 VanDerWaalsContact C-N 3.27Å; D520-K522 PolarHBondContact O-N 3.49Å; D520-S523 PolarHBondContact O-N 3.13Å; D520-S523 VanDerWaalsContact O-N 3.12Å; D520-S523 WeakPolarHBondContact OD2-CB 3.46Å; D520-S523 PolarHBondContact OD2-OG 3.06Å; D520-W524 PolarHBondContact O-N 2.86Å
521L90.2Very high94.7Very high14 Ų1436.1 Ų36.17%0.07316%0.163CC..Hα-helixtrans-52.2-42.5-178.5-177.863.1000113.4L519 S523 W524 F525 C547 I550 E551 Y554L519-L521 PolarHBondContact O-N 3.43Å; L521-S523 VanDerWaalsContact C-N 3.34Å; L521-S523 PolarHBondContact O-N 2.98Å; L521-W524 WeakPolarHBondContact O-CB 3.32Å; L521-W524 PolarHBondContact O-N 3.47Å; L521-F525 PolarHBondContact O-N 2.9Å; L521-C547 HydrophobicContact CD1-CB 3.59Å; L521-I550 HydrophobicContact CD1-CB 4.24Å; L521-I550 HydrophobicContact CD1-CG2 4.18Å; L521-E551 HydrophobicContact CD2-CB 3.99Å; L521-E551 HydrophobicContact CD2-CG 3.89Å; L521-E551 WeakPolarHBondContact CD2-OE1 3.32Å; L521-E551 WeakPolarHBondContact CD2-OE2 3.32Å; L521-Y554 HydrophobicContact CD1-CD1 4.01Å; L521-Y554 HydrophobicContact CD1-CE1 4.19Å; L521-Y554 HydrophobicContact CD2-CD1 3.81Å; L521-Y554 HydrophobicContact CD2-CE1 3.93Å; L521-Y554 HydrophobicContact CG-CD1 4.07Å; L521-Y554 HydrophobicContact CG-CE1 3.91Å
522K93.5Very high94.7Very high113 Ų11333.6 Ų33.649%0.49115%0.151SC..Hα-helixtrans-63.3-41.1-179.2-173.4-176.2175.9-160.70111.6D495 D520 F525 S526D495-K522 IonicContact OD2-NZ 2.61Å; D520-K522 VanDerWaalsContact C-N 3.27Å; D520-K522 PolarHBondContact O-N 3.49Å; K522-F525 PolarHBondContact O-N 3.46Å; K522-S526 PolarHBondContact O-N 2.85Å; K522-S526 PolarHBondContact O-OG 3.31Å
523S95.7Very high94.7Very high1 Ų136 Ų361%0.00716%0.162CC..Hα-helixtrans-65.8-38177.9-69.30000111.9R491 D520 L521 R527R491-S523 WeakPolarHBondContact CD-OG 3.42Å; R491-S523 WeakPolarHBondContact CG-OG 3.46Å; D520-S523 PolarHBondContact O-N 3.13Å; D520-S523 VanDerWaalsContact O-N 3.12Å; D520-S523 WeakPolarHBondContact OD2-CB 3.46Å; D520-S523 PolarHBondContact OD2-OG 3.06Å; L521-S523 VanDerWaalsContact C-N 3.34Å; L521-S523 PolarHBondContact O-N 2.98Å; S523-R527 VanDerWaalsContact O-CB 3.28Å; S523-R527 WeakPolarHBondContact O-CB 3.33Å; S523-R527 PolarHBondContact O-N 2.84Å
524W97.4Very high94.8Very high25 Ų2540.6 Ų40.610%0.09518%0.182CC..Hα-helixtrans-61.6-46.1171.7-80.6112.5000112.1L514 P518 D520 L521 R527 G528 C543 H546 C547L514-W524 HydrophobicContact CB-CZ2 4.49Å; L514-W524 HydrophobicContact CD1-CD2 3.65Å; L514-W524 HydrophobicContact CD1-CE3 3.74Å; L514-W524 HydrophobicContact CD1-CG 4.09Å; L514-W524 HydrophobicContact CD1-CH2 4.36Å; L514-W524 HydrophobicContact CD1-CZ2 4.29Å; L514-W524 HydrophobicContact CD1-CZ3 4.11Å; L514-W524 HydrophobicContact CD2-CD2 3.99Å; L514-W524 HydrophobicContact CD2-CG 3.84Å; L514-W524 HydrophobicContact CD2-CZ2 4.5Å; L514-W524 HydrophobicContact CG-CD2 4.41Å; P518-W524 PolarHBondContact O-NE1 3.48Å; D520-W524 PolarHBondContact O-N 2.86Å; L521-W524 WeakPolarHBondContact O-CB 3.32Å; L521-W524 PolarHBondContact O-N 3.47Å; W524-R527 PolarHBondContact O-N 3.49Å; W524-G528 PolarHBondContact O-N 3.05Å; W524-C543 HydrophobicContact CE3-CB 4Å; W524-H546 HydrophobicContact CD2-CB 3.95Å; W524-H546 HydrophobicContact CE3-CB 4.18Å; W524-H546 HydrophobicContact CG-CB 4.28Å; W524-C547 VanDerWaalsContact CB-SG 3.56Å
525F97.5Very high94.9Very high40 Ų4047.3 Ų47.318%0.17521%0.211CC..Hα-helixtrans-62.2-47.5178.8-171.8-88000111.7L521 K522 R527 G528 F529 Y544 Y554 E556 A557 N560L521-F525 PolarHBondContact O-N 2.9Å; K522-F525 PolarHBondContact O-N 3.46Å; F525-R527 PolarHBondContact O-N 3.06Å; F525-G528 PolarHBondContact O-N 3.49Å; F525-F529 PolarHBondContact O-N 3.42Å; F525-Y544 HydrophobicContact CD2-CD1 4.27Å; F525-Y544 AromaticContact CD2-CE1 3.96Å; F525-Y544 HydrophobicContact CD2-CE1 3.96Å; F525-Y544 HydrophobicContact CE2-CE1 4.12Å; F525-Y544 HydrophobicContact CG-CE1 4.43Å; F525-Y554 HydrophobicContact CB-CE1 4.38Å; F525-Y554 AromaticContact CD2-CE1 3.73Å; F525-Y554 HydrophobicContact CD2-CE1 3.73Å; F525-Y554 HydrophobicContact CD2-CE2 4.45Å; F525-Y554 AromaticContact CD2-CZ 3.64Å; F525-Y554 WeakPolarHBondContact CD2-OH 3.32Å; F525-Y554 HydrophobicContact CE2-CE1 4.37Å; F525-Y554 HydrophobicContact CE2-CE2 4.32Å; F525-Y554 AromaticContact CE2-CZ 3.91Å; F525-Y554 HydrophobicContact CG-CE1 4.28Å; F525-E556 HydrophobicContact CE2-CB 4.08Å; F525-E556 HydrophobicContact CZ-CB 4.21Å; F525-A557 HydrophobicContact CD2-CB 4.18Å; F525-A557 HydrophobicContact CE2-CB 4.28Å; F525-N560 WeakPolarHBondContact CZ-ND2 3.31Å
526S97.8Very high95Very high12 Ų1241.4 Ų41.48%0.08420%0.195CC..Hα-helixtrans-61.9-41.1176-66.40000112.5F510 K522 F529 C530F510-S526 VanDerWaalsContact CZ-CB 3.4Å; K522-S526 PolarHBondContact O-N 2.85Å; K522-S526 PolarHBondContact O-OG 3.31Å; S526-F529 PolarHBondContact O-N 2.98Å; S526-C530 PolarHBondContact O-N 2.97Å; S526-C530 PolarHBondContact O-SG 3.1Å
527R98.2Very high95.4Very high20 Ų2041.7 Ų41.78%0.07519%0.194CC..Hα-helixtrans-62.4-44173.9-173.5-177.4171.683.7-8111.3L507 F510 E511 L514 S523 W524 F525 F529 C530 A531L507-R527 HydrophobicContact CD2-CG 3.72Å; L507-R527 WeakPolarHBondContact CD2-O 2.94Å; L507-R527 PolarHBondContact O-NH1 3.21Å; F510-R527 HydrophobicContact CB-CB 3.87Å; F510-R527 HydrophobicContact CB-CG 4.18Å; F510-R527 HydrophobicContact CD2-CB 4.35Å; F510-R527 HydrophobicContact CG-CB 4.31Å; E511-R527 IonicContact OE2-CZ 2.71Å; E511-R527 IonicContact OE2-NH1 2.68Å; E511-R527 IonicContact OE2-NH2 3.15Å; E511-R527 PolarHBondContact OE2-NH2 3.41Å; L514-R527 HydrophobicContact CD1-CB 4.33Å; S523-R527 VanDerWaalsContact O-CB 3.28Å; S523-R527 WeakPolarHBondContact O-CB 3.33Å; S523-R527 PolarHBondContact O-N 2.84Å; W524-R527 PolarHBondContact O-N 3.49Å; F525-R527 PolarHBondContact O-N 3.06Å; R527-F529 VanDerWaalsContact C-N 3.31Å; R527-F529 PolarHBondContact O-N 3.14Å; R527-C530 PolarHBondContact O-N 3.24Å; R527-A531 PolarHBondContact O-N 3.2Å
528G97.8Very high95.8Very high0 Ų044.7 Ų44.70%022%0.215CC..Hα-helixtrans-57.9-43.3174.700000112W524 F525 A531 M532 Y544W524-G528 PolarHBondContact O-N 3.05Å; F525-G528 PolarHBondContact O-N 3.49Å; G528-A531 WeakPolarHBondContact O-CB 3.27Å; G528-A531 PolarHBondContact O-N 2.9Å; G528-M532 WeakPolarHBondContact O-CG 3.42Å; G528-M532 PolarHBondContact O-N 3.32Å; G528-Y544 VanDerWaalsContact C-OH 3.23Å
529F98Very high96.1Very high72 Ų7244.9 Ų44.932%0.31621%0.214SC..Hα-helixtrans-62.9-44.5176.4178.5-88.9000112.3L498 Y503 F525 S526 R527 A531 M532 K533 Y544L498-F529 HydrophobicContact CD1-CD1 3.63Å; L498-F529 HydrophobicContact CD1-CE1 3.7Å; Y503-F529 HydrophobicContact CE1-CE1 4.26Å; F525-F529 PolarHBondContact O-N 3.42Å; S526-F529 PolarHBondContact O-N 2.98Å; R527-F529 VanDerWaalsContact C-N 3.31Å; R527-F529 PolarHBondContact O-N 3.14Å; F529-A531 VanDerWaalsContact C-N 3.3Å; F529-A531 PolarHBondContact O-N 3.17Å; F529-M532 WeakPolarHBondContact O-CB 3.4Å; F529-M532 PolarHBondContact O-N 3Å; F529-K533 HydrophobicContact CD1-CG 4.3Å; F529-K533 HydrophobicContact CE1-CG 3.86Å; F529-K533 HydrophobicContact CZ-CD 4.38Å; F529-K533 HydrophobicContact CZ-CG 4.13Å; F529-K533 PolarHBondContact O-N 3.48Å; F529-Y544 VanDerWaalsContact CA-OH 3.3Å; F529-Y544 WeakPolarHBondContact CA-OH 3.26Å; F529-Y544 PolarHBondContact N-OH 2.85Å; F529-Y544 VanDerWaalsContact N-OH 3.09Å
530C97.9Very high96.6Very high0 Ų043.2 Ų43.20%021%0.205CC..Hα-helixtrans-60.1-42.3175.4-62.30000111.3L507 S526 R527 M532 K533 K534L507-C530 HydrophobicContact CD2-CB 3.66Å; L507-C530 HydrophobicContact CG-CB 3.75Å; S526-C530 PolarHBondContact O-N 2.97Å; S526-C530 PolarHBondContact O-SG 3.1Å; R527-C530 PolarHBondContact O-N 3.24Å; C530-M532 PolarHBondContact O-N 3.34Å; C530-K533 PolarHBondContact O-N 2.86Å; C530-K534 PolarHBondContact O-N 3.19Å
531A98.2Very high97Very high0 Ų043.6 Ų43.60%021%0.207CC..Hα-helixtrans-63.3-39.5177.500000112.2L507 R527 G528 F529 K534 K535 S536 L539 A540L507-A531 HydrophobicContact CD2-CB 4.16Å; R527-A531 PolarHBondContact O-N 3.2Å; G528-A531 WeakPolarHBondContact O-CB 3.27Å; G528-A531 PolarHBondContact O-N 2.9Å; F529-A531 VanDerWaalsContact C-N 3.3Å; F529-A531 PolarHBondContact O-N 3.17Å; A531-K534 CarbonylContact O-C 3.52Å; A531-K534 PolarHBondContact O-N 2.85Å; A531-K535 PolarHBondContact O-N 3.18Å; A531-K535 VanDerWaalsContact O-N 3.1Å; A531-S536 PolarHBondContact O-N 2.95Å; A531-L539 HydrophobicContact CB-CB 4.11Å; A531-L539 HydrophobicContact CB-CD2 4.09Å; A531-L539 HydrophobicContact CB-CG 4.01Å; A531-A540 HydrophobicContact CB-CB 3.91Å
532M97.7Very high97.3Very high34 Ų3448.9 Ų48.917%0.16723%0.229CC..Hα-helixtrans-59.6-46.3172.6-74.5-64.1-75.300111.7G528 F529 C530 K534 K535 Y537 A540 Y544 T563 A564G528-M532 WeakPolarHBondContact O-CG 3.42Å; G528-M532 PolarHBondContact O-N 3.32Å; F529-M532 WeakPolarHBondContact O-CB 3.4Å; F529-M532 PolarHBondContact O-N 3Å; C530-M532 PolarHBondContact O-N 3.34Å; M532-K534 VanDerWaalsContact C-N 3.25Å; M532-K534 PolarHBondContact O-N 3.24Å; M532-K535 PolarHBondContact O-N 3.22Å; M532-Y537 HydrophobicContact SD-CD1 3.99Å; M532-Y537 HydrophobicContact SD-CE1 4.43Å; M532-A540 HydrophobicContact CG-CB 3.78Å; M532-A540 HydrophobicContact SD-CB 3.7Å; M532-Y544 HydrophobicContact CG-CE2 3.82Å; M532-Y544 HydrophobicContact SD-CE2 4.5Å; M532-T563 HydrophobicContact CE-CG2 3.74Å; M532-A564 HydrophobicContact CE-CB 4.3Å; M532-A564 HydrophobicContact SD-CB 3.54Å; M532-A564 VanDerWaalsContact SD-CB 3.54Å
533K97.4Very high97.5Very high116 Ų11643.5 Ų43.550%0.50421%0.206SC..Hα-helixtrans-64.3-30.4178.3-67-59.8-177.7-170.40113.1Y503 F529 C530 K535Y503-K533 HydrophobicContact CD1-CB 4Å; Y503-K533 HydrophobicContact CD1-CG 4.27Å; Y503-K533 HydrophobicContact CD2-CB 3.8Å; Y503-K533 HydrophobicContact CE1-CB 4Å; Y503-K533 HydrophobicContact CE1-CG 3.85Å; Y503-K533 HydrophobicContact CE2-CB 3.79Å; Y503-K533 HydrophobicContact CE2-CG 4.19Å; Y503-K533 HydrophobicContact CG-CB 3.91Å; F529-K533 HydrophobicContact CD1-CG 4.3Å; F529-K533 HydrophobicContact CE1-CG 3.86Å; F529-K533 HydrophobicContact CZ-CD 4.38Å; F529-K533 HydrophobicContact CZ-CG 4.13Å; F529-K533 PolarHBondContact O-N 3.48Å; C530-K533 PolarHBondContact O-N 2.86Å; K533-K535 VanDerWaalsContact C-N 3.31Å
534K96.6Very high97.6Very high96 Ų9643.4 Ų43.442%0.41721%0.206SC..THydrogen-bonded Turntrans-83.2-0.2172.9-71.6-64.2-48.6-141.90114.1E504 L507 C530 A531 M532 S536E504-K534 WeakPolarHBondContact OE2-CE 3.43Å; E504-K534 IonicContact OE2-NZ 3.51Å; E504-K534 PolarHBondContact OE2-NZ 3.41Å; L507-K534 HydrophobicContact CD1-CG 4.19Å; C530-K534 PolarHBondContact O-N 3.19Å; A531-K534 CarbonylContact O-C 3.52Å; A531-K534 PolarHBondContact O-N 2.85Å; M532-K534 VanDerWaalsContact C-N 3.25Å; M532-K534 PolarHBondContact O-N 3.24Å; K534-S536 PolarHBondContact O-N 2.93Å
535K96.6Very high97.6Very high153 Ų15347.7 Ų47.767%0.66523%0.225SC*.THydrogen-bonded Turntrans56.723.5-173.1-54.3-175.8177.9-1760113.7A531 M532 K533 Y537A531-K535 PolarHBondContact O-N 3.18Å; A531-K535 VanDerWaalsContact O-N 3.1Å; M532-K535 PolarHBondContact O-N 3.22Å; K533-K535 VanDerWaalsContact C-N 3.31Å; K535-Y537 HydrophobicContact CB-CE1 4.29Å; K535-Y537 HydrophobicContact CB-CE2 4.04Å; K535-Y537 WeakPolarHBondContact O-CD2 3.35Å; K535-Y537 PolarHBondContact O-N 2.85Å
536S97.3Very high97.4Very high46 Ų4648.1 Ų48.132%0.32223%0.227SC..  trans-85.464.9173178.20000109.4A531 K534 P538 L539 A540A531-S536 PolarHBondContact O-N 2.95Å; K534-S536 PolarHBondContact O-N 2.93Å; S536-P538 VanDerWaalsContact C-CD 3.49Å; S536-L539 WeakPolarHBondContact O-CB 3.45Å; S536-L539 PolarHBondContact O-N 3.32Å; S536-L539 VanDerWaalsContact O-N 3.11Å; S536-L539 WeakPolarHBondContact OG-CB 3.39Å; S536-A540 PolarHBondContact O-N 3.4Å; S536-A540 VanDerWaalsContact O-N 3.08Å
537Y97.7Very high97.2Very high37 Ų3747.5 Ų47.515%0.14522%0.223CC..Hα-helixtrans-58.1-38.2-172.2-50.3-61.3000114.6M532 K535 L539 A540 I541 E567 M568M532-Y537 HydrophobicContact SD-CD1 3.99Å; M532-Y537 HydrophobicContact SD-CE1 4.43Å; K535-Y537 HydrophobicContact CB-CE1 4.29Å; K535-Y537 HydrophobicContact CB-CE2 4.04Å; K535-Y537 WeakPolarHBondContact O-CD2 3.35Å; K535-Y537 PolarHBondContact O-N 2.85Å; Y537-L539 VanDerWaalsContact C-N 3.29Å; Y537-L539 PolarHBondContact O-N 3.24Å; Y537-A540 WeakPolarHBondContact O-CB 3.47Å; Y537-A540 PolarHBondContact O-N 2.92Å; Y537-I541 WeakPolarHBondContact O-CB 3.4Å; Y537-I541 VanDerWaalsContact O-CG1 3.28Å; Y537-I541 WeakPolarHBondContact O-CG1 3.3Å; Y537-I541 PolarHBondContact O-N 3.36Å; Y537-E567 HydrophobicContact CD1-CB 3.7Å; Y537-E567 HydrophobicContact CD1-CG 4.13Å; Y537-E567 HydrophobicContact CD2-CB 3.97Å; Y537-E567 HydrophobicContact CE1-CB 3.48Å; Y537-E567 VanDerWaalsContact CE1-CB 3.48Å; Y537-E567 HydrophobicContact CE1-CG 3.55Å; Y537-E567 HydrophobicContact CE2-CB 3.76Å; Y537-E567 HydrophobicContact CG-CB 3.94Å; Y537-E567 VanDerWaalsContact CZ-CB 3.49Å; Y537-E567 VanDerWaalsContact CZ-OE2 3.32Å; Y537-E567 PolarHBondContact OH-OE2 2.98Å; Y537-M568 HydrophobicContact CD2-CG 4.36Å; Y537-M568 HydrophobicContact CD2-SD 4.07Å; Y537-M568 HydrophobicContact CG-CG 4.27Å; Y537-M568 HydrophobicContact CG-SD 4.39Å
538P97.8Very high96.9Very high80 Ų8047.1 Ų47.152%0.51922%0.223SC..Hα-helixtrans-59.6-38.5175.4-26.336.2000113.3S536 K542 M568S536-P538 VanDerWaalsContact C-CD 3.49Å; P538-K542 PolarHBondContact O-N 3.01Å; P538-M568 HydrophobicContact CG-CE 4.23Å; P538-M568 HydrophobicContact CG-SD 4.27Å
539L97.6Very high96.5Very high40 Ų4055.3 Ų55.321%0.20925%0.254CS..Hα-helixtrans-70.1-42175.6-178.360.3000111.2L507 A531 S536 Y537 I541 K542 C543L507-L539 HydrophobicContact CD2-CD2 4.05Å; A531-L539 HydrophobicContact CB-CB 4.11Å; A531-L539 HydrophobicContact CB-CD2 4.09Å; A531-L539 HydrophobicContact CB-CG 4.01Å; S536-L539 WeakPolarHBondContact O-CB 3.45Å; S536-L539 PolarHBondContact O-N 3.32Å; S536-L539 VanDerWaalsContact O-N 3.11Å; S536-L539 WeakPolarHBondContact OG-CB 3.39Å; Y537-L539 VanDerWaalsContact C-N 3.29Å; Y537-L539 PolarHBondContact O-N 3.24Å; L539-I541 VanDerWaalsContact C-N 3.34Å; L539-I541 PolarHBondContact O-N 2.69Å; L539-K542 WeakPolarHBondContact O-CB 3.29Å; L539-K542 PolarHBondContact O-N 3.41Å; L539-C543 PolarHBondContact O-N 2.88Å; L539-C543 PolarHBondContact O-SG 3.49Å
540A98.1Very high95.9Very high0 Ų052.2 Ų52.20%024%0.241CC..Hα-helixtrans-58.6-46.4175.400000111.3A531 M532 S536 Y537 K542 C543 Y544 A564A531-A540 HydrophobicContact CB-CB 3.91Å; M532-A540 HydrophobicContact CG-CB 3.78Å; M532-A540 HydrophobicContact SD-CB 3.7Å; S536-A540 PolarHBondContact O-N 3.4Å; S536-A540 VanDerWaalsContact O-N 3.08Å; Y537-A540 WeakPolarHBondContact O-CB 3.47Å; Y537-A540 PolarHBondContact O-N 2.92Å; A540-K542 VanDerWaalsContact C-N 3.34Å; A540-K542 PolarHBondContact O-N 3.14Å; A540-C543 PolarHBondContact O-N 3.43Å; A540-Y544 HydrophobicContact CB-CD2 4.33Å; A540-Y544 HydrophobicContact CB-CE2 4.09Å; A540-Y544 WeakPolarHBondContact O-CD2 3.16Å; A540-Y544 PolarHBondContact O-N 2.86Å; A540-A564 HydrophobicContact CB-CB 4.22Å
541I98.1Very high95.2Very high16 Ų1654.7 Ų54.78%0.08225%0.252CS..Hα-helixtrans-56.9-46.8174.8-70.8164.5000110.6Y537 L539 C543 Y544 K545 L561 A564 L565 M568Y537-I541 WeakPolarHBondContact O-CB 3.4Å; Y537-I541 VanDerWaalsContact O-CG1 3.28Å; Y537-I541 WeakPolarHBondContact O-CG1 3.3Å; Y537-I541 PolarHBondContact O-N 3.36Å; L539-I541 VanDerWaalsContact C-N 3.34Å; L539-I541 PolarHBondContact O-N 2.69Å; I541-C543 VanDerWaalsContact C-N 3.34Å; I541-C543 PolarHBondContact O-N 3.4Å; I541-Y544 PolarHBondContact O-N 3.48Å; I541-K545 HydrophobicContact CG2-CD 3.9Å; I541-K545 HydrophobicContact CG2-CG 4.27Å; I541-K545 VanDerWaalsContact O-CB 3.23Å; I541-K545 WeakPolarHBondContact O-CB 3.4Å; I541-K545 VanDerWaalsContact O-CG 3.25Å; I541-K545 WeakPolarHBondContact O-CG 3.37Å; I541-K545 PolarHBondContact O-N 2.89Å; I541-L561 HydrophobicContact CB-CD1 4.14Å; I541-L561 HydrophobicContact CG1-CD1 4.11Å; I541-L561 HydrophobicContact CG2-CD1 3.85Å; I541-A564 HydrophobicContact CD1-CB 4.45Å; I541-A564 HydrophobicContact CG1-CB 3.7Å; I541-L565 HydrophobicContact CD1-CD2 3.69Å; I541-L565 HydrophobicContact CD1-CG 4.16Å; I541-L565 HydrophobicContact CG1-CD2 4.24Å; I541-L565 HydrophobicContact CG1-CG 4.29Å; I541-M568 HydrophobicContact CD1-CG 4.04Å
542K97.3Very high94.5Very high125 Ų12557.8 Ų57.854%0.54327%0.272SS..Hα-helixtrans-58.3-46.1177.3-176.3-178.3178.2179.50111.6P538 L539 A540 H546P538-K542 PolarHBondContact O-N 3.01Å; L539-K542 WeakPolarHBondContact O-CB 3.29Å; L539-K542 PolarHBondContact O-N 3.41Å; A540-K542 VanDerWaalsContact C-N 3.34Å; A540-K542 PolarHBondContact O-N 3.14Å; K542-H546 PolarHBondContact O-N 3.49Å; K542-H546 VanDerWaalsContact O-N 3.13Å
543C97.4Very high93.7Very high0 Ų057.6 Ų57.60%027%0.272CS..Hα-helixtrans-64.1-51.1179.8-66.30000112W524 L539 A540 I541 K545 H546 C547W524-C543 HydrophobicContact CE3-CB 4Å; L539-C543 PolarHBondContact O-N 2.88Å; L539-C543 PolarHBondContact O-SG 3.49Å; A540-C543 PolarHBondContact O-N 3.43Å; I541-C543 VanDerWaalsContact C-N 3.34Å; I541-C543 PolarHBondContact O-N 3.4Å; C543-K545 PolarHBondContact O-N 2.89Å; C543-H546 WeakPolarHBondContact O-CA 3.46Å; C543-H546 VanDerWaalsContact O-CB 3.28Å; C543-H546 WeakPolarHBondContact O-CB 3.44Å; C543-H546 PolarHBondContact O-N 3.46Å; C543-H546 VanDerWaalsContact O-N 3.08Å; C543-C547 PolarHBondContact O-N 2.99Å; C543-C547 PolarHBondContact O-SG 3.1Å
544Y97.7Very high93.1Very high0 Ų054.5 Ų54.50%026%0.258CS..Hα-helixtrans-69.1-33.4-178.4-62.4-52.8000112.7F525 G528 F529 M532 A540 I541 H546 C547 V548 A557 N560F525-Y544 HydrophobicContact CD2-CD1 4.27Å; F525-Y544 AromaticContact CD2-CE1 3.96Å; F525-Y544 HydrophobicContact CD2-CE1 3.96Å; F525-Y544 HydrophobicContact CE2-CE1 4.12Å; F525-Y544 HydrophobicContact CG-CE1 4.43Å; G528-Y544 VanDerWaalsContact C-OH 3.23Å; F529-Y544 VanDerWaalsContact CA-OH 3.3Å; F529-Y544 WeakPolarHBondContact CA-OH 3.26Å; F529-Y544 PolarHBondContact N-OH 2.85Å; F529-Y544 VanDerWaalsContact N-OH 3.09Å; M532-Y544 HydrophobicContact CG-CE2 3.82Å; M532-Y544 HydrophobicContact SD-CE2 4.5Å; A540-Y544 HydrophobicContact CB-CD2 4.33Å; A540-Y544 HydrophobicContact CB-CE2 4.09Å; A540-Y544 WeakPolarHBondContact O-CD2 3.16Å; A540-Y544 PolarHBondContact O-N 2.86Å; I541-Y544 PolarHBondContact O-N 3.48Å; Y544-H546 VanDerWaalsContact C-N 3.26Å; Y544-H546 PolarHBondContact O-N 2.88Å; Y544-C547 WeakPolarHBondContact O-CB 3.37Å; Y544-C547 PolarHBondContact O-N 3.46Å; Y544-C547 VanDerWaalsContact O-N 3.11Å; Y544-V548 WeakPolarHBondContact O-CG2 3.49Å; Y544-V548 PolarHBondContact O-N 2.78Å; Y544-A557 HydrophobicContact CD1-CB 4.46Å; Y544-N560 HydrophobicContact CD1-CB 4.1Å; Y544-N560 HydrophobicContact CD2-CB 3.87Å; Y544-N560 HydrophobicContact CE1-CB 3.72Å; Y544-N560 HydrophobicContact CE2-CB 3.48Å; Y544-N560 VanDerWaalsContact CE2-CB 3.48Å; Y544-N560 HydrophobicContact CG-CB 4.17Å
545K96Very high92.6Very high115 Ų11550 Ų5050%0.524%0.238SC..Hα-helixtrans-59-38.3168.6-80.3-176.6175.7-176.50112.2I541 C543 V548 R549 L561I541-K545 HydrophobicContact CG2-CD 3.9Å; I541-K545 HydrophobicContact CG2-CG 4.27Å; I541-K545 VanDerWaalsContact O-CB 3.23Å; I541-K545 WeakPolarHBondContact O-CB 3.4Å; I541-K545 VanDerWaalsContact O-CG 3.25Å; I541-K545 WeakPolarHBondContact O-CG 3.37Å; I541-K545 PolarHBondContact O-N 2.89Å; C543-K545 PolarHBondContact O-N 2.89Å; K545-V548 WeakPolarHBondContact O-CG2 3.46Å; K545-R549 VanDerWaalsContact O-CB 3.29Å; K545-R549 WeakPolarHBondContact O-CB 3.36Å; K545-R549 PolarHBondContact O-N 3.03Å; K545-R549 VanDerWaalsContact O-N 3.09Å; K545-L561 HydrophobicContact CG-CD1 3.97Å; K545-L561 HydrophobicContact CG-CD2 3.91Å
546H94.1Very high92.2Very high48 Ų4846.5 Ų46.522%0.22222%0.224CC..Hα-helixtrans-64.8-42.9173-106-87.6000111.7W524 K542 C543 Y544 R549 I550W524-H546 HydrophobicContact CD2-CB 3.95Å; W524-H546 HydrophobicContact CE3-CB 4.18Å; W524-H546 HydrophobicContact CG-CB 4.28Å; K542-H546 PolarHBondContact O-N 3.49Å; K542-H546 VanDerWaalsContact O-N 3.13Å; C543-H546 WeakPolarHBondContact O-CA 3.46Å; C543-H546 VanDerWaalsContact O-CB 3.28Å; C543-H546 WeakPolarHBondContact O-CB 3.44Å; C543-H546 PolarHBondContact O-N 3.46Å; C543-H546 VanDerWaalsContact O-N 3.08Å; Y544-H546 VanDerWaalsContact C-N 3.26Å; Y544-H546 PolarHBondContact O-N 2.88Å; H546-R549 PolarHBondContact CE1-NH2 3.46Å; H546-R549 PolarHBondContact ND1-NH2 2.98Å; H546-R549 PolarHBondContact O-N 2.99Å; H546-I550 WeakPolarHBondContact O-CG1 3.47Å; H546-I550 PolarHBondContact O-N 2.96Å; H546-I550 VanDerWaalsContact O-N 3.1Å
547C94.5Very high92Very high0 Ų044.3 Ų44.30%021%0.209CC..Hα-helixtrans-58.2-52177.7-64.10000112.1L521 W524 C543 Y544 R549 I550 E551 Y554 A557L521-C547 HydrophobicContact CD1-CB 3.59Å; W524-C547 VanDerWaalsContact CB-SG 3.56Å; C543-C547 PolarHBondContact O-N 2.99Å; C543-C547 PolarHBondContact O-SG 3.1Å; Y544-C547 WeakPolarHBondContact O-CB 3.37Å; Y544-C547 PolarHBondContact O-N 3.46Å; Y544-C547 VanDerWaalsContact O-N 3.11Å; C547-R549 VanDerWaalsContact C-N 3.28Å; C547-R549 PolarHBondContact O-N 3.34Å; C547-I550 PolarHBondContact O-N 3.4Å; C547-I550 VanDerWaalsContact O-N 3.12Å; C547-E551 PolarHBondContact O-N 3.21Å; C547-Y554 HydrophobicContact CB-CD1 4.16Å; C547-A557 HydrophobicContact CB-CB 3.64Å
548V91.5Very high91.9Very high12 Ų1244.2 Ų44.27%0.07321%0.208CC..Hα-helixtrans-73.3-19.7-176.9-560000113.3Y544 K545 E551 P552 A557 W558 L561Y544-V548 WeakPolarHBondContact O-CG2 3.49Å; Y544-V548 PolarHBondContact O-N 2.78Å; K545-V548 WeakPolarHBondContact O-CG2 3.46Å; V548-E551 WeakPolarHBondContact CA-O 3.19Å; V548-E551 CarbonylContact O-C 3.49Å; V548-P552 WeakPolarHBondContact O-CA 3.26Å; V548-A557 HydrophobicContact CG1-CB 3.76Å; V548-W558 HydrophobicContact CB-CD2 3.89Å; V548-W558 VanDerWaalsContact CB-CE2 3.49Å; V548-W558 HydrophobicContact CB-CE3 4.29Å; V548-W558 HydrophobicContact CB-CG 4.49Å; V548-W558 HydrophobicContact CB-CH2 3.99Å; V548-W558 HydrophobicContact CB-CZ2 3.55Å; V548-W558 HydrophobicContact CB-CZ3 4.34Å; V548-W558 HydrophobicContact CG1-CB 4.44Å; V548-W558 HydrophobicContact CG1-CD2 3.48Å; V548-W558 VanDerWaalsContact CG1-CD2 3.48Å; V548-W558 HydrophobicContact CG1-CE3 3.98Å; V548-W558 HydrophobicContact CG1-CG 3.67Å; V548-W558 HydrophobicContact CG1-CZ2 4.13Å; V548-W558 HydrophobicContact CG1-CZ3 4.49Å; V548-W558 HydrophobicContact CG2-CD2 4.34Å; V548-W558 HydrophobicContact CG2-CE3 4.24Å; V548-W558 HydrophobicContact CG2-CH2 3.69Å; V548-W558 HydrophobicContact CG2-CZ2 3.81Å; V548-W558 HydrophobicContact CG2-CZ3 3.92Å; V548-L561 HydrophobicContact CG2-CD2 4.34Å
549R89.5Confident91.7Very high171 Ų17141 Ų4165%0.64519%0.188SC*.Hα-helixtrans-73.5-34.7169.6-174.517768.6107.11.3111.8K545 H546 C547K545-R549 VanDerWaalsContact O-CB 3.29Å; K545-R549 WeakPolarHBondContact O-CB 3.36Å; K545-R549 PolarHBondContact O-N 3.03Å; K545-R549 VanDerWaalsContact O-N 3.09Å; H546-R549 PolarHBondContact CE1-NH2 3.46Å; H546-R549 PolarHBondContact ND1-NH2 2.98Å; H546-R549 PolarHBondContact O-N 2.99Å; C547-R549 VanDerWaalsContact C-N 3.28Å; C547-R549 PolarHBondContact O-N 3.34Å
550I85Confident91.6Very high8 Ų841.2 Ų41.24%0.04119%0.189CC..Hα-helixtrans-77.3-48.1178.8-72.3171.3000110.4Y206 F208 L521 H546 C547Y206-I550 HydrophobicContact CD1-CG2 3.76Å; Y206-I550 WeakPolarHBondContact CD1-O 3.37Å; Y206-I550 HydrophobicContact CD2-CG2 3.53Å; Y206-I550 HydrophobicContact CE1-CG2 3.71Å; Y206-I550 HydrophobicContact CE2-CG2 3.44Å; Y206-I550 VanDerWaalsContact CE2-CG2 3.44Å; Y206-I550 HydrophobicContact CG-CG2 3.64Å; Y206-I550 VanDerWaalsContact CZ-CG2 3.49Å; F208-I550 VanDerWaalsContact CE2-O 3.31Å; F208-I550 WeakPolarHBondContact CE2-O 3.28Å; L521-I550 HydrophobicContact CD1-CB 4.24Å; L521-I550 HydrophobicContact CD1-CG2 4.18Å; H546-I550 WeakPolarHBondContact O-CG1 3.47Å; H546-I550 PolarHBondContact O-N 2.96Å; H546-I550 VanDerWaalsContact O-N 3.1Å; C547-I550 PolarHBondContact O-N 3.4Å; C547-I550 VanDerWaalsContact O-N 3.12Å
551E84Confident91.6Very high52 Ų5241.4 Ų41.424%0.24319%0.19CC..  trans-128.893.5177.9-82.1174.2-150.100108.6Y206 L521 C547 V548 D553 Y554Y206-E551 HydrophobicContact CD1-CG 4.32Å; Y206-E551 HydrophobicContact CE1-CG 3.82Å; Y206-E551 VanDerWaalsContact CE1-OE1 3.24Å; Y206-E551 WeakPolarHBondContact CE1-OE1 3.24Å; Y206-E551 PolarHBondContact OH-OE1 3.1Å; L521-E551 HydrophobicContact CD2-CB 3.99Å; L521-E551 HydrophobicContact CD2-CG 3.89Å; L521-E551 WeakPolarHBondContact CD2-OE1 3.32Å; L521-E551 WeakPolarHBondContact CD2-OE2 3.32Å; C547-E551 PolarHBondContact O-N 3.21Å; V548-E551 WeakPolarHBondContact CA-O 3.19Å; V548-E551 CarbonylContact O-C 3.49Å; E551-D553 PolarHBondContact O-N 2.94Å; E551-D553 VanDerWaalsContact O-N 3.17Å; E551-Y554 VanDerWaalsContact O-CB 3.29Å; E551-Y554 WeakPolarHBondContact O-CB 3.37Å; E551-Y554 PolarHBondContact O-N 3.36Å; E551-Y554 VanDerWaalsContact O-N 3.09Å
552P83.2Confident91.5Very high64 Ų6440.7 Ų40.742%0.41619%0.187SC..THydrogen-bonded Turntrans-62.6-16.3-178.9-25.135.5000114.9V548 W558 C584V548-P552 WeakPolarHBondContact O-CA 3.26Å; P552-W558 PolarHBondContact O-NE1 3.19Å; P552-C584 PolarHBondContact O-SG 2.9Å
553D80.2Confident91.4Very high30 Ų3037 Ų3716%0.1618%0.175CC..THydrogen-bonded Turntrans-90.71177.466-38.6000113.3G318 P319 E551 A555G318-D553 VanDerWaalsContact O-OD2 3.1Å; P319-D553 VanDerWaalsContact CA-OD2 3.3Å; P319-D553 WeakPolarHBondContact CA-OD2 3.44Å; P319-D553 HydrophobicContact CB-CB 4.18Å; E551-D553 PolarHBondContact O-N 2.94Å; E551-D553 VanDerWaalsContact O-N 3.17Å; D553-A555 VanDerWaalsContact C-N 3.28Å; D553-A555 PolarHBondContact O-N 2.88Å
554Y85.3Confident91.4Very high52 Ų5237 Ų3720%0.20418%0.175CC..  trans-75.277.4-178.4-162.9179.2000112.2L521 F525 C547 E551 E556 A557 W558L521-Y554 HydrophobicContact CD1-CD1 4.01Å; L521-Y554 HydrophobicContact CD1-CE1 4.19Å; L521-Y554 HydrophobicContact CD2-CD1 3.81Å; L521-Y554 HydrophobicContact CD2-CE1 3.93Å; L521-Y554 HydrophobicContact CG-CD1 4.07Å; L521-Y554 HydrophobicContact CG-CE1 3.91Å; F525-Y554 HydrophobicContact CB-CE1 4.38Å; F525-Y554 AromaticContact CD2-CE1 3.73Å; F525-Y554 HydrophobicContact CD2-CE1 3.73Å; F525-Y554 HydrophobicContact CD2-CE2 4.45Å; F525-Y554 AromaticContact CD2-CZ 3.64Å; F525-Y554 WeakPolarHBondContact CD2-OH 3.32Å; F525-Y554 HydrophobicContact CE2-CE1 4.37Å; F525-Y554 HydrophobicContact CE2-CE2 4.32Å; F525-Y554 AromaticContact CE2-CZ 3.91Å; F525-Y554 HydrophobicContact CG-CE1 4.28Å; C547-Y554 HydrophobicContact CB-CD1 4.16Å; E551-Y554 VanDerWaalsContact O-CB 3.29Å; E551-Y554 WeakPolarHBondContact O-CB 3.37Å; E551-Y554 PolarHBondContact O-N 3.36Å; E551-Y554 VanDerWaalsContact O-N 3.09Å; Y554-E556 VanDerWaalsContact C-N 3.29Å; Y554-E556 HydrophobicContact CD2-CB 4.22Å; Y554-E556 WeakPolarHBondContact CD2-OE2 3.42Å; Y554-E556 HydrophobicContact CE2-CB 3.9Å; Y554-E556 HydrophobicContact CE2-CG 4.49Å; Y554-E556 WeakPolarHBondContact CE2-OE2 3.41Å; Y554-E556 PolarHBondContact O-N 2.8Å; Y554-A557 HydrophobicContact CD1-CB 3.7Å; Y554-A557 HydrophobicContact CD2-CB 4.32Å; Y554-A557 HydrophobicContact CE1-CB 4.24Å; Y554-A557 HydrophobicContact CG-CB 3.75Å; Y554-A557 WeakPolarHBondContact O-CB 3.32Å; Y554-A557 PolarHBondContact O-N 2.83Å; Y554-W558 PolarHBondContact O-N 2.93Å; Y554-W558 VanDerWaalsContact O-N 3.13Å
555A84.9Confident91.4Very high1 Ų137.3 Ų37.31%0.00818%0.176CC..Hα-helixtrans-52.6-40.1-174.600000114D553 A557 W558 C559 C584 K585 I591D553-A555 VanDerWaalsContact C-N 3.28Å; D553-A555 PolarHBondContact O-N 2.88Å; A555-A557 VanDerWaalsContact C-N 3.32Å; A555-A557 PolarHBondContact O-N 2.74Å; A555-W558 WeakPolarHBondContact O-CB 3.47Å; A555-W558 PolarHBondContact O-N 3.38Å; A555-C559 PolarHBondContact O-N 2.96Å; A555-C559 PolarHBondContact O-SG 3.01Å; A555-C584 HydrophobicContact CB-CB 4.01Å; A555-K585 HydrophobicContact CB-CB 4.01Å; A555-K585 HydrophobicContact CB-CD 3.59Å; A555-K585 HydrophobicContact CB-CG 3.71Å; A555-I591 HydrophobicContact CB-CD1 3.91Å
556E89.7Confident91.4Very high80 Ų8033.9 Ų33.937%0.37416%0.162SC..Hα-helixtrans-66.3-34.1178.5-63.383.8168.500111.9F525 Y554 N560 K585F525-E556 HydrophobicContact CE2-CB 4.08Å; F525-E556 HydrophobicContact CZ-CB 4.21Å; Y554-E556 VanDerWaalsContact C-N 3.29Å; Y554-E556 HydrophobicContact CD2-CB 4.22Å; Y554-E556 WeakPolarHBondContact CD2-OE2 3.42Å; Y554-E556 HydrophobicContact CE2-CB 3.9Å; Y554-E556 HydrophobicContact CE2-CG 4.49Å; Y554-E556 WeakPolarHBondContact CE2-OE2 3.41Å; Y554-E556 PolarHBondContact O-N 2.8Å; E556-N560 WeakPolarHBondContact O-CB 3.34Å; E556-N560 PolarHBondContact O-N 3.27Å; E556-N560 VanDerWaalsContact O-N 3.09Å; E556-N560 PolarHBondContact O-ND2 2.74Å; E556-K585 IonicContact OE1-NZ 2.64Å; E556-K585 PolarHBondContact OE1-NZ 2.96Å; E556-K585 IonicContact OE2-NZ 2.64Å; E556-K585 PolarHBondContact OE2-NZ 3.48Å
557A93.3Very high91.6Very high0 Ų036.5 Ų36.50%018%0.175CC..Hα-helixtrans-71.1-39174.900000111.2F525 Y544 C547 V548 Y554 A555 N560 L561F525-A557 HydrophobicContact CD2-CB 4.18Å; F525-A557 HydrophobicContact CE2-CB 4.28Å; Y544-A557 HydrophobicContact CD1-CB 4.46Å; C547-A557 HydrophobicContact CB-CB 3.64Å; V548-A557 HydrophobicContact CG1-CB 3.76Å; Y554-A557 HydrophobicContact CD1-CB 3.7Å; Y554-A557 HydrophobicContact CD2-CB 4.32Å; Y554-A557 HydrophobicContact CE1-CB 4.24Å; Y554-A557 HydrophobicContact CG-CB 3.75Å; Y554-A557 WeakPolarHBondContact O-CB 3.32Å; Y554-A557 PolarHBondContact O-N 2.83Å; A555-A557 VanDerWaalsContact C-N 3.32Å; A555-A557 PolarHBondContact O-N 2.74Å; A557-N560 PolarHBondContact O-N 2.84Å; A557-L561 VanDerWaalsContact O-CB 3.3Å; A557-L561 WeakPolarHBondContact O-CB 3.49Å; A557-L561 PolarHBondContact O-N 3.21Å
558W94.3Very high91.6Very high35 Ų3540 Ų4013%0.13319%0.192CC..Hα-helixtrans-60.7-46.8172.4-74.3115.4000112.3V548 P552 Y554 A555 N560 L561 A562 V577 D580 A581V548-W558 HydrophobicContact CB-CD2 3.89Å; V548-W558 VanDerWaalsContact CB-CE2 3.49Å; V548-W558 HydrophobicContact CB-CE3 4.29Å; V548-W558 HydrophobicContact CB-CG 4.49Å; V548-W558 HydrophobicContact CB-CH2 3.99Å; V548-W558 HydrophobicContact CB-CZ2 3.55Å; V548-W558 HydrophobicContact CB-CZ3 4.34Å; V548-W558 HydrophobicContact CG1-CB 4.44Å; V548-W558 HydrophobicContact CG1-CD2 3.48Å; V548-W558 VanDerWaalsContact CG1-CD2 3.48Å; V548-W558 HydrophobicContact CG1-CE3 3.98Å; V548-W558 HydrophobicContact CG1-CG 3.67Å; V548-W558 HydrophobicContact CG1-CZ2 4.13Å; V548-W558 HydrophobicContact CG1-CZ3 4.49Å; V548-W558 HydrophobicContact CG2-CD2 4.34Å; V548-W558 HydrophobicContact CG2-CE3 4.24Å; V548-W558 HydrophobicContact CG2-CH2 3.69Å; V548-W558 HydrophobicContact CG2-CZ2 3.81Å; V548-W558 HydrophobicContact CG2-CZ3 3.92Å; P552-W558 PolarHBondContact O-NE1 3.19Å; Y554-W558 PolarHBondContact O-N 2.93Å; Y554-W558 VanDerWaalsContact O-N 3.13Å; A555-W558 WeakPolarHBondContact O-CB 3.47Å; A555-W558 PolarHBondContact O-N 3.38Å; W558-N560 PolarHBondContact O-N 3.33Å; W558-L561 HydrophobicContact CE3-CD2 4.11Å; W558-L561 HydrophobicContact CZ3-CD2 4.08Å; W558-L561 WeakPolarHBondContact O-CB 3.44Å; W558-L561 PolarHBondContact O-N 3.25Å; W558-A562 PolarHBondContact O-N 3.09Å; W558-V577 HydrophobicContact CE3-CB 4.38Å; W558-V577 HydrophobicContact CE3-CG1 3.61Å; W558-V577 HydrophobicContact CZ3-CG1 4.12Å; W558-V577 HydrophobicContact CZ3-CG2 4.37Å; W558-V577 WeakPolarHBondContact O-CG1 3.43Å; W558-D580 HydrophobicContact CD2-CB 4.15Å; W558-D580 HydrophobicContact CE3-CB 4.15Å; W558-D580 HydrophobicContact CH2-CB 4.11Å; W558-D580 HydrophobicContact CZ2-CB 4.09Å; W558-D580 HydrophobicContact CZ3-CB 4.14Å; W558-A581 HydrophobicContact CB-CB 3.59Å; W558-A581 HydrophobicContact CG-CB 4.39Å
559C93.9Very high91.8Very high13 Ų1348.5 Ų48.59%0.08822%0.223CC..Hα-helixtrans-60-47.4177.8-67.30000111.4A555 L561 A562 T563A555-C559 PolarHBondContact O-N 2.96Å; A555-C559 PolarHBondContact O-SG 3.01Å; C559-L561 VanDerWaalsContact C-N 3.33Å; C559-L561 PolarHBondContact O-N 3.43Å; C559-A562 PolarHBondContact O-N 3.35Å; C559-T563 PolarHBondContact O-N 2.84Å; C559-T563 PolarHBondContact O-OG1 2.92Å
560N95.7Very high92.2Very high44 Ų4443.4 Ų43.424%0.23521%0.206CC..Hα-helixtrans-67.4-32.6178.5-71.8-47.4000113F525 Y544 E556 A557 W558 T563 A564F525-N560 WeakPolarHBondContact CZ-ND2 3.31Å; Y544-N560 HydrophobicContact CD1-CB 4.1Å; Y544-N560 HydrophobicContact CD2-CB 3.87Å; Y544-N560 HydrophobicContact CE1-CB 3.72Å; Y544-N560 HydrophobicContact CE2-CB 3.48Å; Y544-N560 VanDerWaalsContact CE2-CB 3.48Å; Y544-N560 HydrophobicContact CG-CB 4.17Å; E556-N560 WeakPolarHBondContact O-CB 3.34Å; E556-N560 PolarHBondContact O-N 3.27Å; E556-N560 VanDerWaalsContact O-N 3.09Å; E556-N560 PolarHBondContact O-ND2 2.74Å; A557-N560 PolarHBondContact O-N 2.84Å; W558-N560 PolarHBondContact O-N 3.33Å; N560-T563 PolarHBondContact O-N 3.01Å; N560-A564 WeakPolarHBondContact O-CB 3.19Å; N560-A564 PolarHBondContact O-N 2.81Å
561L97.4Very high92.7Very high3 Ų346.6 Ų46.62%0.01622%0.218CC..Hα-helixtrans-62.4-45.7171.5176.455.9000111.1I541 K545 V548 A557 W558 C559 A564 L565 V577I541-L561 HydrophobicContact CB-CD1 4.14Å; I541-L561 HydrophobicContact CG1-CD1 4.11Å; I541-L561 HydrophobicContact CG2-CD1 3.85Å; K545-L561 HydrophobicContact CG-CD1 3.97Å; K545-L561 HydrophobicContact CG-CD2 3.91Å; V548-L561 HydrophobicContact CG2-CD2 4.34Å; A557-L561 VanDerWaalsContact O-CB 3.3Å; A557-L561 WeakPolarHBondContact O-CB 3.49Å; A557-L561 PolarHBondContact O-N 3.21Å; W558-L561 HydrophobicContact CE3-CD2 4.11Å; W558-L561 HydrophobicContact CZ3-CD2 4.08Å; W558-L561 WeakPolarHBondContact O-CB 3.44Å; W558-L561 PolarHBondContact O-N 3.25Å; C559-L561 VanDerWaalsContact C-N 3.33Å; C559-L561 PolarHBondContact O-N 3.43Å; L561-A564 PolarHBondContact O-N 3.4Å; L561-L565 HydrophobicContact CD1-CD1 4.17Å; L561-L565 HydrophobicContact CD1-CG 4.39Å; L561-L565 HydrophobicContact CG-CD1 4.16Å; L561-L565 WeakPolarHBondContact O-CG 3.38Å; L561-L565 PolarHBondContact O-N 2.71Å; L561-V577 HydrophobicContact CB-CG1 4.01Å; L561-V577 HydrophobicContact CD2-CG1 3.9Å; L561-V577 HydrophobicContact CD2-CG2 4.32Å; L561-V577 HydrophobicContact CG-CG1 3.76Å; L561-V577 HydrophobicContact CG-CG2 4.49Å
562A96.6Very high93.3Very high2 Ų251.7 Ų51.72%0.01724%0.24CC..Hα-helixtrans-62.4-45.8176.900000111.1W558 C559 A564 L565 M566 A574 V577 M578W558-A562 PolarHBondContact O-N 3.09Å; C559-A562 PolarHBondContact O-N 3.35Å; A562-A564 VanDerWaalsContact C-N 3.33Å; A562-A564 PolarHBondContact O-N 3.34Å; A562-L565 CarbonylContact O-C 3.45Å; A562-L565 WeakPolarHBondContact O-CB 3.34Å; A562-L565 PolarHBondContact O-N 3Å; A562-L565 VanDerWaalsContact O-N 3.09Å; A562-M566 VanDerWaalsContact O-CG 3.24Å; A562-M566 WeakPolarHBondContact O-CG 3.39Å; A562-M566 PolarHBondContact O-N 3.25Å; A562-A574 HydrophobicContact CB-CB 4.46Å; A562-V577 HydrophobicContact CB-CB 4.39Å; A562-V577 HydrophobicContact CB-CG1 3.85Å; A562-M578 HydrophobicContact CB-CG 3.53Å; A562-M578 HydrophobicContact CB-SD 3.36Å; A562-M578 WeakPolarHBondContact CB-SD 3.14Å
563T96.3Very high93.9Very high48 Ų4854 Ų5429%0.29424%0.243SC..Hα-helixtrans-58-44.2175.6-55.30000111.7M532 C559 N560 L565 M566 E567M532-T563 HydrophobicContact CE-CG2 3.74Å; C559-T563 PolarHBondContact O-N 2.84Å; C559-T563 PolarHBondContact O-OG1 2.92Å; N560-T563 PolarHBondContact O-N 3.01Å; T563-L565 VanDerWaalsContact C-N 3.31Å; T563-L565 PolarHBondContact O-N 3.22Å; T563-M566 WeakPolarHBondContact O-CB 3.36Å; T563-M566 PolarHBondContact O-N 3.43Å; T563-E567 WeakPolarHBondContact O-CG 3.06Å; T563-E567 PolarHBondContact O-N 3.46Å; T563-E567 VanDerWaalsContact O-N 3.08Å
564A97.2Very high94.7Very high0 Ų052.6 Ų52.60%024%0.236CC..Hα-helixtrans-62.7-36.7176.100000112.7M532 A540 I541 N560 L561 A562 M568M532-A564 HydrophobicContact CE-CB 4.3Å; M532-A564 HydrophobicContact SD-CB 3.54Å; M532-A564 VanDerWaalsContact SD-CB 3.54Å; A540-A564 HydrophobicContact CB-CB 4.22Å; I541-A564 HydrophobicContact CD1-CB 4.45Å; I541-A564 HydrophobicContact CG1-CB 3.7Å; N560-A564 WeakPolarHBondContact O-CB 3.19Å; N560-A564 PolarHBondContact O-N 2.81Å; L561-A564 PolarHBondContact O-N 3.4Å; A562-A564 VanDerWaalsContact C-N 3.33Å; A562-A564 PolarHBondContact O-N 3.34Å; A564-M568 WeakPolarHBondContact O-CG 3.13Å; A564-M568 PolarHBondContact O-N 3.33Å
565L97.8Very high95.2Very high6 Ų650.3 Ų50.33%0.03123%0.227CC..Hα-helixtrans-70.8-36.6175.3-72.3165.7000112.4I541 L561 A562 T563 E567 M568 R569 E570 K573 A574 V577I541-L565 HydrophobicContact CD1-CD2 3.69Å; I541-L565 HydrophobicContact CD1-CG 4.16Å; I541-L565 HydrophobicContact CG1-CD2 4.24Å; I541-L565 HydrophobicContact CG1-CG 4.29Å; L561-L565 HydrophobicContact CD1-CD1 4.17Å; L561-L565 HydrophobicContact CD1-CG 4.39Å; L561-L565 HydrophobicContact CG-CD1 4.16Å; L561-L565 WeakPolarHBondContact O-CG 3.38Å; L561-L565 PolarHBondContact O-N 2.71Å; A562-L565 CarbonylContact O-C 3.45Å; A562-L565 WeakPolarHBondContact O-CB 3.34Å; A562-L565 PolarHBondContact O-N 3Å; A562-L565 VanDerWaalsContact O-N 3.09Å; T563-L565 VanDerWaalsContact C-N 3.31Å; T563-L565 PolarHBondContact O-N 3.22Å; L565-E567 VanDerWaalsContact C-N 3.34Å; L565-M568 CarbonylContact O-C 3.48Å; L565-M568 PolarHBondContact O-N 3.22Å; L565-R569 PolarHBondContact O-N 3.24Å; L565-E570 HydrophobicContact CB-CB 4.38Å; L565-E570 HydrophobicContact CD2-CB 4.05Å; L565-E570 PolarHBondContact O-N 3.27Å; L565-K573 HydrophobicContact CD1-CB 4.19Å; L565-K573 HydrophobicContact CD2-CB 4.46Å; L565-A574 HydrophobicContact CB-CB 3.83Å; L565-V577 HydrophobicContact CD1-CB 4.41Å; L565-V577 HydrophobicContact CD1-CG2 3.8Å
566M96.1Very high95.7Very high43 Ų4358.3 Ų58.321%0.21226%0.257CS..Hα-helixtrans-61.1-43.9174.7-70.5-72.3-68.100111.2A562 T563 M568 R569 Y571 A574 A598 A601A562-M566 VanDerWaalsContact O-CG 3.24Å; A562-M566 WeakPolarHBondContact O-CG 3.39Å; A562-M566 PolarHBondContact O-N 3.25Å; T563-M566 WeakPolarHBondContact O-CB 3.36Å; T563-M566 PolarHBondContact O-N 3.43Å; M566-M568 VanDerWaalsContact C-N 3.27Å; M566-M568 PolarHBondContact O-N 3Å; M566-R569 WeakPolarHBondContact O-CA 3.29Å; M566-R569 PolarHBondContact O-N 3.3Å; M566-Y571 HydrophobicContact CE-CD1 4.15Å; M566-Y571 HydrophobicContact CE-CE1 4.46Å; M566-Y571 WeakPolarHBondContact O-CE1 3.18Å; M566-Y571 HydrophobicContact SD-CD1 3.74Å; M566-Y571 HydrophobicContact SD-CE1 4.48Å; M566-A574 HydrophobicContact CG-CB 3.66Å; M566-A574 HydrophobicContact SD-CB 3.67Å; M566-A598 HydrophobicContact SD-CB 3.94Å; M566-A601 HydrophobicContact CE-CB 3.38Å; M566-A601 HydrophobicContact SD-CB 4.05Å
567E96.6Very high95.9Very high103 Ų10355.3 Ų55.348%0.48124%0.244SC..Hα-helixtrans-63.1-33.9175.7-69.6-69.4142.600112.4Y537 T563 L565 R569Y537-E567 HydrophobicContact CD1-CB 3.7Å; Y537-E567 HydrophobicContact CD1-CG 4.13Å; Y537-E567 HydrophobicContact CD2-CB 3.97Å; Y537-E567 HydrophobicContact CE1-CB 3.48Å; Y537-E567 VanDerWaalsContact CE1-CB 3.48Å; Y537-E567 HydrophobicContact CE1-CG 3.55Å; Y537-E567 HydrophobicContact CE2-CB 3.76Å; Y537-E567 HydrophobicContact CG-CB 3.94Å; Y537-E567 VanDerWaalsContact CZ-CB 3.49Å; Y537-E567 VanDerWaalsContact CZ-OE2 3.32Å; Y537-E567 PolarHBondContact OH-OE2 2.98Å; T563-E567 WeakPolarHBondContact O-CG 3.06Å; T563-E567 PolarHBondContact O-N 3.46Å; T563-E567 VanDerWaalsContact O-N 3.08Å; L565-E567 VanDerWaalsContact C-N 3.34Å; E567-R569 PolarHBondContact O-N 3.48Å
568M96.2Very high96Very high74 Ų7455.4 Ų55.437%0.36524%0.244SC..THydrogen-bonded Turntrans-78.32172.2-71.6-68.5-64.200113.8Y537 P538 I541 A564 L565 M566 E570Y537-M568 HydrophobicContact CD2-CG 4.36Å; Y537-M568 HydrophobicContact CD2-SD 4.07Å; Y537-M568 HydrophobicContact CG-CG 4.27Å; Y537-M568 HydrophobicContact CG-SD 4.39Å; P538-M568 HydrophobicContact CG-CE 4.23Å; P538-M568 HydrophobicContact CG-SD 4.27Å; I541-M568 HydrophobicContact CD1-CG 4.04Å; A564-M568 WeakPolarHBondContact O-CG 3.13Å; A564-M568 PolarHBondContact O-N 3.33Å; L565-M568 CarbonylContact O-C 3.48Å; L565-M568 PolarHBondContact O-N 3.22Å; M566-M568 VanDerWaalsContact C-N 3.27Å; M566-M568 PolarHBondContact O-N 3Å; M568-E570 HydrophobicContact CB-CG 4.26Å; M568-E570 PolarHBondContact O-N 2.9Å
569R95.7Very high96Very high190 Ų19057 Ų5772%0.71725%0.253SS*.THydrogen-bonded Turntrans6120.3-175.4-48.9-176.6174.5-116.52.3114.4L565 M566 E567 Y571L565-R569 PolarHBondContact O-N 3.24Å; M566-R569 WeakPolarHBondContact O-CA 3.29Å; M566-R569 PolarHBondContact O-N 3.3Å; E567-R569 PolarHBondContact O-N 3.48Å; R569-Y571 HydrophobicContact CB-CE1 4.25Å; R569-Y571 HydrophobicContact CB-CE2 3.98Å; R569-Y571 WeakPolarHBondContact CG-OH 3.33Å; R569-Y571 PolarHBondContact O-N 3.03Å
570E96.4Very high95.7Very high63 Ų6358.5 Ų58.529%0.29426%0.261SS..  trans-85.353.2175.4-65.6-163.7-138.900111.3L565 M568 K572 K573 A574L565-E570 HydrophobicContact CB-CB 4.38Å; L565-E570 HydrophobicContact CD2-CB 4.05Å; L565-E570 PolarHBondContact O-N 3.27Å; M568-E570 HydrophobicContact CB-CG 4.26Å; M568-E570 PolarHBondContact O-N 2.9Å; E570-K572 VanDerWaalsContact C-N 3.35Å; E570-K572 PolarHBondContact O-N 3.4Å; E570-K573 HydrophobicContact CB-CB 4.45Å; E570-K573 PolarHBondContact O-N 2.95Å; E570-K573 WeakPolarHBondContact OE2-CD 3.29Å; E570-K573 WeakPolarHBondContact OE2-CE 3.44Å; E570-K573 IonicContact OE2-NZ 3.51Å; E570-K573 PolarHBondContact OE2-NZ 3.39Å; E570-A574 PolarHBondContact O-N 3.27Å
571Y96.5Very high95.4Very high75 Ų7556.4 Ų56.429%0.29425%0.249SC..Hα-helixtrans-57-41.5-167.5-50.3-54.8000113.8M566 R569 K573 A574 H575 A601M566-Y571 HydrophobicContact CE-CD1 4.15Å; M566-Y571 HydrophobicContact CE-CE1 4.46Å; M566-Y571 WeakPolarHBondContact O-CE1 3.18Å; M566-Y571 HydrophobicContact SD-CD1 3.74Å; M566-Y571 HydrophobicContact SD-CE1 4.48Å; R569-Y571 HydrophobicContact CB-CE1 4.25Å; R569-Y571 HydrophobicContact CB-CE2 3.98Å; R569-Y571 WeakPolarHBondContact CG-OH 3.33Å; R569-Y571 PolarHBondContact O-N 3.03Å; Y571-K573 VanDerWaalsContact C-N 3.28Å; Y571-K573 PolarHBondContact O-N 3.44Å; Y571-A574 PolarHBondContact O-N 3.16Å; Y571-H575 WeakPolarHBondContact O-CB 3.4Å; Y571-H575 PolarHBondContact O-N 3.29Å; Y571-A601 WeakPolarHBondContact CB-O 3.43Å; Y571-A601 HydrophobicContact CD1-CB 3.61Å; Y571-A601 WeakPolarHBondContact CD2-O 3.11Å; Y571-A601 HydrophobicContact CE1-CB 4.06Å; Y571-A601 HydrophobicContact CG-CB 3.91Å
572K95.9Very high95.1Very high160 Ų16056.9 Ų56.970%0.69625%0.252SS*.Hα-helixtrans-61.1-35.8177.5-71-177.7179.9178.60112.6E570 R576E570-K572 VanDerWaalsContact C-N 3.35Å; E570-K572 PolarHBondContact O-N 3.4Å; K572-R576 WeakPolarHBondContact O-CG 3.46Å; K572-R576 PolarHBondContact O-N 3.39Å
573K95.8Very high94.5Very high112 Ų11265.8 Ų65.849%0.48729%0.285SS..Hα-helixtrans-76.7-42.5176.6-63.3-167-161.4154.50110.5L565 E570 Y571 H575 R576 V577L565-K573 HydrophobicContact CD1-CB 4.19Å; L565-K573 HydrophobicContact CD2-CB 4.46Å; E570-K573 HydrophobicContact CB-CB 4.45Å; E570-K573 PolarHBondContact O-N 2.95Å; E570-K573 WeakPolarHBondContact OE2-CD 3.29Å; E570-K573 WeakPolarHBondContact OE2-CE 3.44Å; E570-K573 IonicContact OE2-NZ 3.51Å; E570-K573 PolarHBondContact OE2-NZ 3.39Å; Y571-K573 VanDerWaalsContact C-N 3.28Å; Y571-K573 PolarHBondContact O-N 3.44Å; K573-H575 VanDerWaalsContact C-N 3.28Å; K573-H575 PolarHBondContact O-N 2.88Å; K573-R576 PolarHBondContact O-N 2.92Å; K573-V577 WeakPolarHBondContact O-CB 3.42Å; K573-V577 VanDerWaalsContact O-CG2 3.27Å; K573-V577 WeakPolarHBondContact O-CG2 3.48Å; K573-V577 PolarHBondContact O-N 3.25Å
574A96.7Very high93.8Very high0 Ų064.3 Ų64.30%028%0.276CS..Hα-helixtrans-55.3-44.4175.200000111.9A562 L565 M566 E570 Y571 R576 V577 M578A562-A574 HydrophobicContact CB-CB 4.46Å; L565-A574 HydrophobicContact CB-CB 3.83Å; M566-A574 HydrophobicContact CG-CB 3.66Å; M566-A574 HydrophobicContact SD-CB 3.67Å; E570-A574 PolarHBondContact O-N 3.27Å; Y571-A574 PolarHBondContact O-N 3.16Å; A574-R576 PolarHBondContact O-N 3.26Å; A574-V577 PolarHBondContact O-N 3.41Å; A574-M578 WeakPolarHBondContact O-CG 3.42Å; A574-M578 PolarHBondContact O-N 3.04Å
575H96.8Very high93.1Very high5 Ų567.7 Ų67.72%0.02329%0.291CS..Hα-helixtrans-57.3-49.2175175.8-101.4000112.8Y571 K573 V577 M578 Q579 F595 A602 D607Y571-H575 WeakPolarHBondContact O-CB 3.4Å; Y571-H575 PolarHBondContact O-N 3.29Å; K573-H575 VanDerWaalsContact C-N 3.28Å; K573-H575 PolarHBondContact O-N 2.88Å; H575-V577 VanDerWaalsContact C-N 3.34Å; H575-V577 PolarHBondContact O-N 3.49Å; H575-M578 PolarHBondContact O-N 3.19Å; H575-Q579 PolarHBondContact CE1-NE2 3.27Å; H575-Q579 PolarHBondContact O-N 2.93Å; H575-F595 AromaticContact CD2-CE2 3.83Å; H575-F595 AromaticContact NE2-CE2 3.5Å; H575-F595 WeakPolarHBondContact NE2-CE2 3.44Å; H575-F595 AromaticContact NE2-CZ 3.78Å; H575-A602 HydrophobicContact CB-CB 3.92Å; H575-D607 IonicContact CE1-OD2 2.95Å; H575-D607 PolarHBondContact CE1-OD2 3.26Å; H575-D607 IonicContact NE2-OD2 2.67Å; H575-D607 PolarHBondContact NE2-OD2 3.04Å; H575-D607 VanDerWaalsContact NE2-OD2 3.07Å
576R95.2Very high92.5Very high168 Ų16873 Ų7363%0.63431%0.312SS*.Hα-helixtrans-60.3-43.8177.6-69.7178-174.1178.10.1112K572 K573 A574 M578 Q579 D580K572-R576 WeakPolarHBondContact O-CG 3.46Å; K572-R576 PolarHBondContact O-N 3.39Å; K573-R576 PolarHBondContact O-N 2.92Å; A574-R576 PolarHBondContact O-N 3.26Å; R576-M578 VanDerWaalsContact C-N 3.29Å; R576-M578 PolarHBondContact O-N 2.82Å; R576-Q579 WeakPolarHBondContact O-CB 3.45Å; R576-Q579 PolarHBondContact O-N 2.91Å; R576-Q579 VanDerWaalsContact O-N 3.09Å; R576-D580 PolarHBondContact O-N 3.26Å
577V94.3Very high91.9Very high18 Ų1878.5 Ų78.511%0.10934%0.337CS..Hα-helixtrans-61.8-37.1177168.10000111.2W558 L561 A562 L565 K573 A574 H575 D580 A581W558-V577 HydrophobicContact CE3-CB 4.38Å; W558-V577 HydrophobicContact CE3-CG1 3.61Å; W558-V577 HydrophobicContact CZ3-CG1 4.12Å; W558-V577 HydrophobicContact CZ3-CG2 4.37Å; W558-V577 WeakPolarHBondContact O-CG1 3.43Å; L561-V577 HydrophobicContact CB-CG1 4.01Å; L561-V577 HydrophobicContact CD2-CG1 3.9Å; L561-V577 HydrophobicContact CD2-CG2 4.32Å; L561-V577 HydrophobicContact CG-CG1 3.76Å; L561-V577 HydrophobicContact CG-CG2 4.49Å; A562-V577 HydrophobicContact CB-CB 4.39Å; A562-V577 HydrophobicContact CB-CG1 3.85Å; L565-V577 HydrophobicContact CD1-CB 4.41Å; L565-V577 HydrophobicContact CD1-CG2 3.8Å; K573-V577 WeakPolarHBondContact O-CB 3.42Å; K573-V577 VanDerWaalsContact O-CG2 3.27Å; K573-V577 WeakPolarHBondContact O-CG2 3.48Å; K573-V577 PolarHBondContact O-N 3.25Å; A574-V577 PolarHBondContact O-N 3.41Å; H575-V577 VanDerWaalsContact C-N 3.34Å; H575-V577 PolarHBondContact O-N 3.49Å; V577-D580 PolarHBondContact O-N 2.89Å; V577-A581 PolarHBondContact O-N 3.33Å
578M94.8Very high91.4Very high1 Ų176.1 Ų76.11%0.00533%0.327CS..Hα-helixtrans-69-30.9173.8-73-55.9-52.500113.1A562 A574 H575 R576 D580 A581 L582 I591 N594 F595 A598A562-M578 HydrophobicContact CB-CG 3.53Å; A562-M578 HydrophobicContact CB-SD 3.36Å; A562-M578 WeakPolarHBondContact CB-SD 3.14Å; A574-M578 WeakPolarHBondContact O-CG 3.42Å; A574-M578 PolarHBondContact O-N 3.04Å; H575-M578 PolarHBondContact O-N 3.19Å; R576-M578 VanDerWaalsContact C-N 3.29Å; R576-M578 PolarHBondContact O-N 2.82Å; M578-D580 VanDerWaalsContact C-N 3.29Å; M578-D580 PolarHBondContact O-N 3Å; M578-A581 HydrophobicContact CE-CB 4.12Å; M578-A581 WeakPolarHBondContact O-CB 3.47Å; M578-A581 PolarHBondContact O-N 3.07Å; M578-A581 HydrophobicContact SD-CB 4.4Å; M578-L582 WeakPolarHBondContact O-CG 3.25Å; M578-L582 PolarHBondContact O-N 3.4Å; M578-I591 HydrophobicContact CE-CG2 3.61Å; M578-I591 WeakPolarHBondContact CE-O 3.23Å; M578-N594 HydrophobicContact CE-CB 3.59Å; M578-N594 HydrophobicContact SD-CB 4.1Å; M578-F595 HydrophobicContact CB-CB 4.25Å; M578-F595 HydrophobicContact CB-CD2 3.75Å; M578-F595 HydrophobicContact CE-CB 4.06Å; M578-A598 HydrophobicContact CG-CB 3.89Å
579Q93.2Very high91.1Very high68 Ų6874.8 Ų74.832%0.31832%0.321SS..Hα-helixtrans-62.9-39171.6-64.7176.7-51.600111H575 R576 L582 R583 F595H575-Q579 PolarHBondContact CE1-NE2 3.27Å; H575-Q579 PolarHBondContact O-N 2.93Å; R576-Q579 WeakPolarHBondContact O-CB 3.45Å; R576-Q579 PolarHBondContact O-N 2.91Å; R576-Q579 VanDerWaalsContact O-N 3.09Å; Q579-L582 PolarHBondContact O-N 3.2Å; Q579-R583 WeakPolarHBondContact O-CG 3.49Å; Q579-R583 PolarHBondContact O-N 3.32Å; Q579-F595 HydrophobicContact CG-CE2 3.75Å
580D88.6Confident90.9Very high46 Ų4670.5 Ų70.525%0.24631%0.313CS..Hα-helixtrans-67.2-40.2173.7-63.9-41.3000111.3W558 R576 V577 M578 L582 R583 C584W558-D580 HydrophobicContact CD2-CB 4.15Å; W558-D580 HydrophobicContact CE3-CB 4.15Å; W558-D580 HydrophobicContact CH2-CB 4.11Å; W558-D580 HydrophobicContact CZ2-CB 4.09Å; W558-D580 HydrophobicContact CZ3-CB 4.14Å; R576-D580 PolarHBondContact O-N 3.26Å; V577-D580 PolarHBondContact O-N 2.89Å; M578-D580 VanDerWaalsContact C-N 3.29Å; M578-D580 PolarHBondContact O-N 3Å; D580-L582 VanDerWaalsContact C-N 3.32Å; D580-L582 PolarHBondContact O-N 2.93Å; D580-R583 WeakPolarHBondContact O-CB 3.05Å; D580-R583 PolarHBondContact O-N 2.81Å; D580-R583 VanDerWaalsContact O-N 3.12Å; D580-R583 IonicContact OD1-CZ 3.11Å; D580-R583 IonicContact OD1-NH1 3.06Å; D580-R583 PolarHBondContact OD1-NH1 3.36Å; D580-R583 IonicContact OD1-NH2 2.76Å; D580-C584 PolarHBondContact O-N 2.81Å; D580-C584 PolarHBondContact O-SG 3.24Å
581A90.3Very high90.6Very high0 Ų067.8 Ų67.80%030%0.3CS..Hα-helixtrans-57-43.217400000112.8W558 V577 M578 R583 C584 K585 I591W558-A581 HydrophobicContact CB-CB 3.59Å; W558-A581 HydrophobicContact CG-CB 4.39Å; V577-A581 PolarHBondContact O-N 3.33Å; M578-A581 HydrophobicContact CE-CB 4.12Å; M578-A581 WeakPolarHBondContact O-CB 3.47Å; M578-A581 PolarHBondContact O-N 3.07Å; M578-A581 HydrophobicContact SD-CB 4.4Å; A581-R583 VanDerWaalsContact C-N 3.33Å; A581-R583 PolarHBondContact O-N 2.87Å; A581-C584 WeakPolarHBondContact O-CB 3.47Å; A581-C584 PolarHBondContact O-N 2.75Å; A581-C584 VanDerWaalsContact O-N 3.17Å; A581-K585 PolarHBondContact O-N 3.48Å; A581-K585 VanDerWaalsContact O-N 3.14Å; A581-I591 HydrophobicContact CB-CG2 3.87Å
582L89.9Confident90.5Very high12 Ų1264.7 Ų64.76%0.06329%0.288CS..Hα-helixtrans-66.8-31.1177.7-74.5175.6000112.8M578 Q579 D580 C584 K585 Y586 I591 W592 F595M578-L582 WeakPolarHBondContact O-CG 3.25Å; M578-L582 PolarHBondContact O-N 3.4Å; Q579-L582 PolarHBondContact O-N 3.2Å; D580-L582 VanDerWaalsContact C-N 3.32Å; D580-L582 PolarHBondContact O-N 2.93Å; L582-C584 PolarHBondContact O-N 3.1Å; L582-K585 CarbonylContact O-C 3.58Å; L582-Y586 WeakPolarHBondContact O-CA 3.36Å; L582-Y586 WeakPolarHBondContact O-CB 3.34Å; L582-Y586 PolarHBondContact O-N 3.25Å; L582-Y586 VanDerWaalsContact O-N 3.1Å; L582-I591 HydrophobicContact CD2-CB 4.23Å; L582-I591 HydrophobicContact CD2-CG2 3.61Å; L582-I591 HydrophobicContact CG-CG2 4.04Å; L582-W592 HydrophobicContact CD1-CD2 4.24Å; L582-W592 HydrophobicContact CD1-CE3 3.92Å; L582-W592 HydrophobicContact CD1-CH2 4Å; L582-W592 HydrophobicContact CD1-CZ2 4.29Å; L582-W592 HydrophobicContact CD1-CZ3 3.78Å; L582-W592 HydrophobicContact CD2-CD2 3.62Å; L582-W592 HydrophobicContact CD2-CE3 4.14Å; L582-W592 HydrophobicContact CD2-CG 3.88Å; L582-W592 HydrophobicContact CD2-CZ2 4.16Å; L582-F595 HydrophobicContact CD1-CB 3.91Å; L582-F595 HydrophobicContact CD1-CD1 3.87Å; L582-F595 HydrophobicContact CD1-CD2 3.58Å; L582-F595 HydrophobicContact CD1-CE1 4.23Å; L582-F595 HydrophobicContact CD1-CE2 4Å; L582-F595 HydrophobicContact CD1-CG 3.5Å; L582-F595 HydrophobicContact CD1-CZ 4.28Å; L582-F595 HydrophobicContact CG-CB 4.43Å; L582-F595 HydrophobicContact CG-CG 4.48Å
583R84.9Confident90.3Very high189 Ų18961 Ų6171%0.71327%0.273SS*.Hα-helixtrans-65.5-30.6172.8-68.7176-168.3153.59112.1Q579 D580 A581Q579-R583 WeakPolarHBondContact O-CG 3.49Å; Q579-R583 PolarHBondContact O-N 3.32Å; D580-R583 WeakPolarHBondContact O-CB 3.05Å; D580-R583 PolarHBondContact O-N 2.81Å; D580-R583 VanDerWaalsContact O-N 3.12Å; D580-R583 IonicContact OD1-CZ 3.11Å; D580-R583 IonicContact OD1-NH1 3.06Å; D580-R583 PolarHBondContact OD1-NH1 3.36Å; D580-R583 IonicContact OD1-NH2 2.76Å; A581-R583 VanDerWaalsContact C-N 3.33Å; A581-R583 PolarHBondContact O-N 2.87Å
584C80.2Confident90.1Very high17 Ų1758.9 Ų58.912%0.11527%0.267CS..Hα-helixtrans-77.4-45.7179.1-51.50000112.2P552 A555 D580 A581 L582P552-C584 PolarHBondContact O-SG 2.9Å; A555-C584 HydrophobicContact CB-CB 4.01Å; D580-C584 PolarHBondContact O-N 2.81Å; D580-C584 PolarHBondContact O-SG 3.24Å; A581-C584 WeakPolarHBondContact O-CB 3.47Å; A581-C584 PolarHBondContact O-N 2.75Å; A581-C584 VanDerWaalsContact O-N 3.17Å; L582-C584 PolarHBondContact O-N 3.1Å
585K82.9Confident90.1Very high71 Ų7159.3 Ų59.331%0.30927%0.269SS..  trans-139.378.4-177.1-73.3-171.4-167.9179.90110.6A555 E556 A581 L582 E587 D588 I591A555-K585 HydrophobicContact CB-CB 4.01Å; A555-K585 HydrophobicContact CB-CD 3.59Å; A555-K585 HydrophobicContact CB-CG 3.71Å; E556-K585 IonicContact OE1-NZ 2.64Å; E556-K585 PolarHBondContact OE1-NZ 2.96Å; E556-K585 IonicContact OE2-NZ 2.64Å; E556-K585 PolarHBondContact OE2-NZ 3.48Å; A581-K585 PolarHBondContact O-N 3.48Å; A581-K585 VanDerWaalsContact O-N 3.14Å; L582-K585 CarbonylContact O-C 3.58Å; K585-E587 VanDerWaalsContact C-N 3.31Å; K585-E587 PolarHBondContact O-N 3.47Å; K585-D588 HydrophobicContact CB-CB 4.33Å; K585-I591 HydrophobicContact CB-CD1 3.56Å; K585-I591 HydrophobicContact CD-CD1 4.37Å
586Y85.3Confident90Very high118 Ų11859 Ų5946%0.46327%0.268SS..THydrogen-bonded Turntrans-67.3-29.4-176.7-172.4-101.4000113.6L582 W592 H614L582-Y586 WeakPolarHBondContact O-CA 3.36Å; L582-Y586 WeakPolarHBondContact O-CB 3.34Å; L582-Y586 PolarHBondContact O-N 3.25Å; L582-Y586 VanDerWaalsContact O-N 3.1Å; Y586-W592 AromaticContact CD2-CZ2 3.91Å; Y586-W592 HydrophobicContact CD2-CZ2 3.91Å; Y586-W592 HydrophobicContact CE1-CZ2 4.43Å; Y586-W592 HydrophobicContact CE2-CH2 4.03Å; Y586-W592 AromaticContact CE2-CZ2 3.34Å; Y586-W592 HydrophobicContact CE2-CZ2 3.34Å; Y586-W592 AromaticContact CZ-CZ2 3.63Å; Y586-W592 PolarHBondContact O-NE1 2.92Å; Y586-H614 AromaticContact CE1-CE1 3.24Å; Y586-H614 WeakPolarHBondContact CE1-CE1 3.36Å; Y586-H614 AromaticContact CE1-NE2 3.93Å; Y586-H614 AromaticContact CZ-CE1 3.54Å; Y586-H614 AromaticContact CZ-ND1 3.95Å; Y586-H614 PolarHBondContact OH-ND1 3.11Å
587E82.9Confident89.9Confident158 Ų15853 Ų5374%0.73825%0.254SS*.THydrogen-bonded Turntrans-84.6-11.8-175-60.3175.9168.400113.5K585 L589K585-E587 VanDerWaalsContact C-N 3.31Å; K585-E587 PolarHBondContact O-N 3.47Å; E587-L589 PolarHBondContact O-N 3.28Å
588D86.3Confident89.9Confident54 Ų5452.2 Ų52.229%0.28925%0.249SC..  trans-79.8107.3-177.4-170.5-18.7000110.8K585 N590 I591 W592K585-D588 HydrophobicContact CB-CB 4.33Å; D588-N590 PolarHBondContact O-N 2.96Å; D588-N590 WeakPolarHBondContact OD1-CB 3.25Å; D588-N590 PolarHBondContact OD1-N 3.49Å; D588-N590 PolarHBondContact OD1-ND2 2.92Å; D588-I591 HydrophobicContact CB-CB 4.46Å; D588-I591 HydrophobicContact CB-CD1 3.88Å; D588-I591 HydrophobicContact CB-CG1 3.88Å; D588-I591 WeakPolarHBondContact O-CB 2.85Å; D588-I591 PolarHBondContact O-N 3.27Å; D588-W592 PolarHBondContact O-N 3.2Å
589L90.9Very high90Very high45 Ų4552.2 Ų52.224%0.23625%0.249CC..Hα-helixtrans-59.8-28.5-178.5-59.7-177.4000113.3E587 I591 W592 E593E587-L589 PolarHBondContact O-N 3.28Å; L589-I591 VanDerWaalsContact C-N 3.27Å; L589-I591 PolarHBondContact O-N 3.47Å; L589-W592 WeakPolarHBondContact O-CB 3.08Å; L589-W592 PolarHBondContact O-N 2.96Å; L589-E593 PolarHBondContact O-N 3.31Å
590N90.3Very high89.9Confident100 Ų10050 Ų5054%0.53524%0.239SC..Hα-helixtrans-67.5-31.8177.1-56.6-69000111.5D588 N594D588-N590 PolarHBondContact O-N 2.96Å; D588-N590 WeakPolarHBondContact OD1-CB 3.25Å; D588-N590 PolarHBondContact OD1-N 3.49Å; D588-N590 PolarHBondContact OD1-ND2 2.92Å; N590-N594 PolarHBondContact O-N 3.45Å; N590-N594 PolarHBondContact O-ND2 3.31Å; N590-N594 VanDerWaalsContact O-ND2 3.16Å
591I91.1Very high90.1Very high6 Ų649.8 Ų49.83%0.03124%0.244CC..Hα-helixtrans-70.2-39.9175.9-56.9-175.1000109.4A555 M578 A581 L582 K585 D588 L589 N594 F595A555-I591 HydrophobicContact CB-CD1 3.91Å; M578-I591 HydrophobicContact CE-CG2 3.61Å; M578-I591 WeakPolarHBondContact CE-O 3.23Å; A581-I591 HydrophobicContact CB-CG2 3.87Å; L582-I591 HydrophobicContact CD2-CB 4.23Å; L582-I591 HydrophobicContact CD2-CG2 3.61Å; L582-I591 HydrophobicContact CG-CG2 4.04Å; K585-I591 HydrophobicContact CB-CD1 3.56Å; K585-I591 HydrophobicContact CD-CD1 4.37Å; D588-I591 HydrophobicContact CB-CB 4.46Å; D588-I591 HydrophobicContact CB-CD1 3.88Å; D588-I591 HydrophobicContact CB-CG1 3.88Å; D588-I591 WeakPolarHBondContact O-CB 2.85Å; D588-I591 PolarHBondContact O-N 3.27Å; L589-I591 VanDerWaalsContact C-N 3.27Å; L589-I591 PolarHBondContact O-N 3.47Å; I591-N594 PolarHBondContact O-N 2.99Å; I591-F595 WeakPolarHBondContact O-CB 3.2Å; I591-F595 PolarHBondContact O-N 2.64Å
592W94Very high90.3Very high10 Ų1050.6 Ų50.64%0.03825%0.251CS..Hα-helixtrans-62.2-41.2173.4-79.4104.2000113.4L582 Y586 D588 L589 N594 F595 V596 G611 H614 I615L582-W592 HydrophobicContact CD1-CD2 4.24Å; L582-W592 HydrophobicContact CD1-CE3 3.92Å; L582-W592 HydrophobicContact CD1-CH2 4Å; L582-W592 HydrophobicContact CD1-CZ2 4.29Å; L582-W592 HydrophobicContact CD1-CZ3 3.78Å; L582-W592 HydrophobicContact CD2-CD2 3.62Å; L582-W592 HydrophobicContact CD2-CE3 4.14Å; L582-W592 HydrophobicContact CD2-CG 3.88Å; L582-W592 HydrophobicContact CD2-CZ2 4.16Å; Y586-W592 AromaticContact CD2-CZ2 3.91Å; Y586-W592 HydrophobicContact CD2-CZ2 3.91Å; Y586-W592 HydrophobicContact CE1-CZ2 4.43Å; Y586-W592 HydrophobicContact CE2-CH2 4.03Å; Y586-W592 AromaticContact CE2-CZ2 3.34Å; Y586-W592 HydrophobicContact CE2-CZ2 3.34Å; Y586-W592 AromaticContact CZ-CZ2 3.63Å; Y586-W592 PolarHBondContact O-NE1 2.92Å; D588-W592 PolarHBondContact O-N 3.2Å; L589-W592 WeakPolarHBondContact O-CB 3.08Å; L589-W592 PolarHBondContact O-N 2.96Å; W592-N594 VanDerWaalsContact C-N 3.33Å; W592-N594 PolarHBondContact O-N 3.3Å; W592-F595 AromaticContact CE3-CD1 3.67Å; W592-F595 HydrophobicContact CE3-CD1 3.67Å; W592-F595 HydrophobicContact CE3-CE1 4.25Å; W592-F595 HydrophobicContact CE3-CG 4.39Å; W592-F595 AromaticContact CZ3-CD1 3.7Å; W592-F595 HydrophobicContact CZ3-CD1 3.7Å; W592-F595 AromaticContact CZ3-CE1 3.78Å; W592-F595 HydrophobicContact CZ3-CE1 3.78Å; W592-F595 WeakPolarHBondContact O-CB 3.43Å; W592-F595 PolarHBondContact O-N 3.29Å; W592-F595 VanDerWaalsContact O-N 3.14Å; W592-V596 WeakPolarHBondContact O-CG2 3.36Å; W592-V596 PolarHBondContact O-N 3.48Å; W592-G611 VanDerWaalsContact CZ3-CA 3.46Å; W592-H614 AromaticContact CD1-CD2 3.45Å; W592-H614 VanDerWaalsContact CD1-CD2 3.45Å; W592-H614 AromaticContact CD1-NE2 3.86Å; W592-H614 HydrophobicContact CD2-CB 4.24Å; W592-H614 AromaticContact CD2-CD2 3.76Å; W592-H614 AromaticContact CE2-CD2 3.19Å; W592-H614 AromaticContact CE2-CG 3.53Å; W592-H614 AromaticContact CE2-NE2 3.59Å; W592-H614 HydrophobicContact CE3-CB 4.37Å; W592-H614 AromaticContact CG-CD2 3.85Å; W592-H614 HydrophobicContact CH2-CB 4.23Å; W592-H614 HydrophobicContact CZ2-CB 4.1Å; W592-H614 AromaticContact CZ2-CD2 3.64Å; W592-H614 AromaticContact CZ2-CE1 3.9Å; W592-H614 AromaticContact CZ2-CG 3.53Å; W592-H614 AromaticContact CZ2-ND1 3.71Å; W592-H614 AromaticContact CZ2-NE2 3.87Å; W592-H614 HydrophobicContact CZ3-CB 4.38Å; W592-H614 AromaticContact NE1-CD2 3.01Å; W592-H614 PolarHBondContact NE1-CD2 3.48Å; W592-H614 AromaticContact NE1-CE1 3.98Å; W592-H614 AromaticContact NE1-CG 3.84Å; W592-H614 AromaticContact NE1-NE2 3.13Å; W592-H614 PolarHBondContact NE1-NE2 2.87Å; W592-H614 VanDerWaalsContact NE1-NE2 3.13Å; W592-I615 HydrophobicContact CB-CD1 3.92Å; W592-I615 HydrophobicContact CB-CG1 3.62Å; W592-I615 HydrophobicContact CG-CG1 4.47Å
593E92.1Very high90.3Very high83 Ų8351.9 Ų51.939%0.38827%0.266SS..Hα-helixtrans-59.2-45.5175-73.6-176.5174.400111.7L589 F595 V596 A597 I615L589-E593 PolarHBondContact O-N 3.31Å; E593-F595 VanDerWaalsContact C-N 3.31Å; E593-F595 PolarHBondContact O-N 3.35Å; E593-V596 PolarHBondContact O-N 2.84Å; E593-A597 PolarHBondContact O-N 2.7Å; E593-I615 HydrophobicContact CG-CD1 3.84Å
594N92.5Very high90.6Very high67 Ų6749.7 Ų49.736%0.35826%0.258SS..Hα-helixtrans-64.7-36175.2-70.3-35.2000112M578 N590 I591 W592 A597 A598M578-N594 HydrophobicContact CE-CB 3.59Å; M578-N594 HydrophobicContact SD-CB 4.1Å; N590-N594 PolarHBondContact O-N 3.45Å; N590-N594 PolarHBondContact O-ND2 3.31Å; N590-N594 VanDerWaalsContact O-ND2 3.16Å; I591-N594 PolarHBondContact O-N 2.99Å; W592-N594 VanDerWaalsContact C-N 3.33Å; W592-N594 PolarHBondContact O-N 3.3Å; N594-A597 PolarHBondContact O-N 2.82Å; N594-A598 WeakPolarHBondContact O-CB 3.32Å; N594-A598 PolarHBondContact O-N 2.67Å
595F95.4Very high91.1Very high9 Ų950.2 Ų50.24%0.03926%0.259CS..Hα-helixtrans-66.2-46177.7171.9-102.1000110.8H575 M578 Q579 L582 I591 W592 E593 A597 A598 A599 D607H575-F595 AromaticContact CD2-CE2 3.83Å; H575-F595 AromaticContact NE2-CE2 3.5Å; H575-F595 WeakPolarHBondContact NE2-CE2 3.44Å; H575-F595 AromaticContact NE2-CZ 3.78Å; M578-F595 HydrophobicContact CB-CB 4.25Å; M578-F595 HydrophobicContact CB-CD2 3.75Å; M578-F595 HydrophobicContact CE-CB 4.06Å; Q579-F595 HydrophobicContact CG-CE2 3.75Å; L582-F595 HydrophobicContact CD1-CB 3.91Å; L582-F595 HydrophobicContact CD1-CD1 3.87Å; L582-F595 HydrophobicContact CD1-CD2 3.58Å; L582-F595 HydrophobicContact CD1-CE1 4.23Å; L582-F595 HydrophobicContact CD1-CE2 4Å; L582-F595 HydrophobicContact CD1-CG 3.5Å; L582-F595 HydrophobicContact CD1-CZ 4.28Å; L582-F595 HydrophobicContact CG-CB 4.43Å; L582-F595 HydrophobicContact CG-CG 4.48Å; I591-F595 WeakPolarHBondContact O-CB 3.2Å; I591-F595 PolarHBondContact O-N 2.64Å; W592-F595 AromaticContact CE3-CD1 3.67Å; W592-F595 HydrophobicContact CE3-CD1 3.67Å; W592-F595 HydrophobicContact CE3-CE1 4.25Å; W592-F595 HydrophobicContact CE3-CG 4.39Å; W592-F595 AromaticContact CZ3-CD1 3.7Å; W592-F595 HydrophobicContact CZ3-CD1 3.7Å; W592-F595 AromaticContact CZ3-CE1 3.78Å; W592-F595 HydrophobicContact CZ3-CE1 3.78Å; W592-F595 WeakPolarHBondContact O-CB 3.43Å; W592-F595 PolarHBondContact O-N 3.29Å; W592-F595 VanDerWaalsContact O-N 3.14Å; E593-F595 VanDerWaalsContact C-N 3.31Å; E593-F595 PolarHBondContact O-N 3.35Å; F595-A597 VanDerWaalsContact C-N 3.33Å; F595-A597 PolarHBondContact O-N 3.44Å; F595-A598 PolarHBondContact O-N 3.38Å; F595-A599 VanDerWaalsContact O-CB 3.24Å; F595-A599 WeakPolarHBondContact O-CB 3.41Å; F595-A599 PolarHBondContact O-N 3.34Å; F595-D607 HydrophobicContact CE1-CB 4.04Å; F595-D607 WeakPolarHBondContact CE1-O 3.38Å; F595-D607 HydrophobicContact CZ-CB 3.68Å
596V95Very high91.6Very high0 Ų052.2 Ų52.20%027%0.269CS..Hα-helixtrans-58.9-46175.1172.30000110.3W592 E593 A598 A599 M600 A608 I612 I615 F622 L627W592-V596 WeakPolarHBondContact O-CG2 3.36Å; W592-V596 PolarHBondContact O-N 3.48Å; E593-V596 PolarHBondContact O-N 2.84Å; V596-A598 PolarHBondContact O-N 3.47Å; V596-A599 PolarHBondContact O-N 3.25Å; V596-M600 HydrophobicContact CG1-CG 4.31Å; V596-M600 VanDerWaalsContact O-CB 3.29Å; V596-M600 WeakPolarHBondContact O-CB 3.45Å; V596-M600 WeakPolarHBondContact O-CG 3.34Å; V596-M600 PolarHBondContact O-N 2.95Å; V596-A608 HydrophobicContact CG1-CB 4.44Å; V596-I612 HydrophobicContact CB-CG1 4.42Å; V596-I612 HydrophobicContact CG1-CD1 3.95Å; V596-I612 HydrophobicContact CG1-CG1 3.63Å; V596-I612 HydrophobicContact CG2-CG1 3.87Å; V596-I615 HydrophobicContact CG2-CD1 4.36Å; V596-F622 HydrophobicContact CG1-CE2 4.27Å; V596-F622 HydrophobicContact CG1-CZ 4.14Å; V596-L627 HydrophobicContact CG1-CD2 3.75Å
597A92.9Very high92Very high41 Ų4148.6 Ų48.634%0.33926%0.258SS..Hα-helixtrans-60.3-43.5177.200000112.3E593 N594 F595 A601E593-A597 PolarHBondContact O-N 2.7Å; N594-A597 PolarHBondContact O-N 2.82Å; F595-A597 VanDerWaalsContact C-N 3.33Å; F595-A597 PolarHBondContact O-N 3.44Å; A597-A601 PolarHBondContact O-N 3.5Å; A597-A601 VanDerWaalsContact O-N 3.08Å
598A94.8Very high92.5Very high2 Ų241.1 Ų41.12%0.01722%0.223CC..Hα-helixtrans-68.5-40.9177.600000112.9M566 M578 N594 F595 V596 A601 A602M566-A598 HydrophobicContact SD-CB 3.94Å; M578-A598 HydrophobicContact CG-CB 3.89Å; N594-A598 WeakPolarHBondContact O-CB 3.32Å; N594-A598 PolarHBondContact O-N 2.67Å; F595-A598 PolarHBondContact O-N 3.38Å; V596-A598 PolarHBondContact O-N 3.47Å; A598-A601 PolarHBondContact O-N 3.22Å; A598-A602 VanDerWaalsContact O-CB 3.25Å; A598-A602 WeakPolarHBondContact O-CB 3.47Å; A598-A602 PolarHBondContact O-N 3.21Å
599A95.6Very high92.9Very high0 Ų038.5 Ų38.50%021%0.209CC..Hα-helixtrans-63-46.1176.600000111.1F595 V596 A601 A602 G603 R604 D607 A608F595-A599 VanDerWaalsContact O-CB 3.24Å; F595-A599 WeakPolarHBondContact O-CB 3.41Å; F595-A599 PolarHBondContact O-N 3.34Å; V596-A599 PolarHBondContact O-N 3.25Å; A599-A601 PolarHBondContact O-N 3.32Å; A599-A602 CarbonylContact O-C 3.6Å; A599-A602 PolarHBondContact O-N 3.5Å; A599-G603 PolarHBondContact O-N 2.87Å; A599-G603 VanDerWaalsContact O-N 3.08Å; A599-R604 HydrophobicContact CB-CB 4.24Å; A599-R604 PolarHBondContact O-N 3.39Å; A599-D607 HydrophobicContact CB-CB 4.02Å; A599-A608 HydrophobicContact CB-CB 4.04Å
600M92.9Very high93.1Very high22 Ų2240 Ų4011%0.10822%0.22CC..Hα-helixtrans-57.7-48.9174.6-77.3-58.4-57.800112V596 A602 G603 F605 A608 L627 F631V596-M600 HydrophobicContact CG1-CG 4.31Å; V596-M600 VanDerWaalsContact O-CB 3.29Å; V596-M600 WeakPolarHBondContact O-CB 3.45Å; V596-M600 WeakPolarHBondContact O-CG 3.34Å; V596-M600 PolarHBondContact O-N 2.95Å; M600-A602 VanDerWaalsContact C-N 3.28Å; M600-A602 PolarHBondContact O-N 3.18Å; M600-G603 PolarHBondContact O-N 2.98Å; M600-G603 VanDerWaalsContact O-N 3.17Å; M600-F605 HydrophobicContact CE-CD1 4.33Å; M600-F605 HydrophobicContact CE-CE1 4.07Å; M600-F605 HydrophobicContact SD-CD1 4.04Å; M600-F605 HydrophobicContact SD-CE1 4.33Å; M600-A608 HydrophobicContact CG-CB 3.82Å; M600-A608 HydrophobicContact SD-CB 3.61Å; M600-L627 HydrophobicContact CB-CD1 4.02Å; M600-L627 HydrophobicContact CG-CD1 4.01Å; M600-L627 HydrophobicContact CG-CD2 4.01Å; M600-L627 HydrophobicContact CG-CG 4.06Å; M600-F631 HydrophobicContact CE-CB 3.41Å; M600-F631 VanDerWaalsContact CE-CB 3.41Å; M600-F631 HydrophobicContact CE-CD1 4.16Å; M600-F631 HydrophobicContact CE-CD2 3.85Å; M600-F631 HydrophobicContact CE-CG 3.55Å; M600-F631 HydrophobicContact SD-CB 4Å; M600-F631 HydrophobicContact SD-CD1 3.54Å; M600-F631 VanDerWaalsContact SD-CD1 3.54Å; M600-F631 HydrophobicContact SD-CD2 3.84Å; M600-F631 HydrophobicContact SD-CE1 3.88Å; M600-F631 HydrophobicContact SD-CE2 4.21Å; M600-F631 HydrophobicContact SD-CG 3.52Å; M600-F631 VanDerWaalsContact SD-CG 3.52Å; M600-F631 HydrophobicContact SD-CZ 4.2Å
601A92.1Very high93.3Very high41 Ų4135.2 Ų35.234%0.33919%0.194SC..Hα-helixtrans-66.9-28.9178.200000113.2M566 Y571 A597 A598 A599 G603M566-A601 HydrophobicContact CE-CB 3.38Å; M566-A601 HydrophobicContact SD-CB 4.05Å; Y571-A601 WeakPolarHBondContact CB-O 3.43Å; Y571-A601 HydrophobicContact CD1-CB 3.61Å; Y571-A601 WeakPolarHBondContact CD2-O 3.11Å; Y571-A601 HydrophobicContact CE1-CB 4.06Å; Y571-A601 HydrophobicContact CG-CB 3.91Å; A597-A601 PolarHBondContact O-N 3.5Å; A597-A601 VanDerWaalsContact O-N 3.08Å; A598-A601 PolarHBondContact O-N 3.22Å; A599-A601 PolarHBondContact O-N 3.32Å; A601-G603 VanDerWaalsContact C-N 3.3Å
602A93.4Very high93.5Very high18 Ų1835 Ų3515%0.14919%0.193CC..THydrogen-bonded Turntrans-82-5176.200000113.8H575 A598 A599 M600 R604H575-A602 HydrophobicContact CB-CB 3.92Å; A598-A602 VanDerWaalsContact O-CB 3.25Å; A598-A602 WeakPolarHBondContact O-CB 3.47Å; A598-A602 PolarHBondContact O-N 3.21Å; A599-A602 CarbonylContact O-C 3.6Å; A599-A602 PolarHBondContact O-N 3.5Å; M600-A602 VanDerWaalsContact C-N 3.28Å; M600-A602 PolarHBondContact O-N 3.18Å; A602-R604 VanDerWaalsContact C-N 3.28Å; A602-R604 HydrophobicContact CB-CG 4.12Å
603G90.5Very high93.5Very high38 Ų3836.1 Ų36.139%0.39220%0.2SC..THydrogen-bonded Turntrans7022.7-173.800000113.7A599 M600 A601 F605A599-G603 PolarHBondContact O-N 2.87Å; A599-G603 VanDerWaalsContact O-N 3.08Å; M600-G603 PolarHBondContact O-N 2.98Å; M600-G603 VanDerWaalsContact O-N 3.17Å; A601-G603 VanDerWaalsContact C-N 3.3Å; G603-F605 WeakPolarHBondContact O-CD2 3.32Å; G603-F605 PolarHBondContact O-N 2.83Å
604R92.2Very high93.5Very high143 Ų14332.8 Ų32.854%0.5418%0.184SC..  trans-93.376.4177.4-66.9-61.5-137.4170.210.3109.9A599 A602 D607 A608A599-R604 HydrophobicContact CB-CB 4.24Å; A599-R604 PolarHBondContact O-N 3.39Å; A602-R604 VanDerWaalsContact C-N 3.28Å; A602-R604 HydrophobicContact CB-CG 4.12Å; R604-D607 HydrophobicContact CB-CB 4.11Å; R604-D607 PolarHBondContact O-N 3.06Å; R604-A608 PolarHBondContact O-N 3.23Å; R604-A608 VanDerWaalsContact O-N 3.1Å
605F91Very high93.6Very high29 Ų2929.6 Ų29.613%0.12717%0.167CC..Hα-helixtrans-71-35.1-169.9-62.2-60.3000114.6M600 G603 D607 A608 L609 F631 A634 M642 V645M600-F605 HydrophobicContact CE-CD1 4.33Å; M600-F605 HydrophobicContact CE-CE1 4.07Å; M600-F605 HydrophobicContact SD-CD1 4.04Å; M600-F605 HydrophobicContact SD-CE1 4.33Å; G603-F605 WeakPolarHBondContact O-CD2 3.32Å; G603-F605 PolarHBondContact O-N 2.83Å; F605-D607 VanDerWaalsContact C-N 3.34Å; F605-A608 PolarHBondContact O-N 3.17Å; F605-L609 WeakPolarHBondContact O-CG 3.46Å; F605-L609 PolarHBondContact O-N 3.42Å; F605-F631 HydrophobicContact CB-CE2 3.57Å; F605-F631 HydrophobicContact CB-CZ 3.79Å; F605-F631 AromaticContact CD1-CD2 3.59Å; F605-F631 HydrophobicContact CD1-CD2 3.59Å; F605-F631 AromaticContact CD1-CE2 3.21Å; F605-F631 HydrophobicContact CD1-CE2 3.21Å; F605-F631 AromaticContact CD1-CZ 3.97Å; F605-F631 HydrophobicContact CD1-CZ 3.97Å; F605-F631 HydrophobicContact CE1-CD2 4.08Å; F605-F631 HydrophobicContact CE1-CE2 4.13Å; F605-F631 HydrophobicContact CG-CD2 4.42Å; F605-F631 AromaticContact CG-CE2 3.67Å; F605-F631 HydrophobicContact CG-CE2 3.67Å; F605-F631 HydrophobicContact CG-CZ 4.32Å; F605-F631 WeakPolarHBondContact O-CZ 3.31Å; F605-A634 HydrophobicContact CE1-CB 3.86Å; F605-A634 HydrophobicContact CZ-CB 3.71Å; F605-M642 HydrophobicContact CB-CE 4.17Å; F605-M642 HydrophobicContact CD2-CE 3.17Å; F605-M642 HydrophobicContact CD2-SD 3.73Å; F605-M642 HydrophobicContact CE2-CE 3.6Å; F605-M642 HydrophobicContact CE2-SD 4.34Å; F605-M642 HydrophobicContact CG-CE 3.76Å; F605-M642 HydrophobicContact CZ-CE 4.49Å; F605-V645 HydrophobicContact CB-CG1 3.69Å; F605-V645 HydrophobicContact CB-CG2 4.35Å
606E92.2Very high93.5Very high113 Ų11330 Ų3053%0.52817%0.169SC..Hα-helixtrans-61.7-43.5174.7-65.5178.116500111.5L609 T610 V645E606-L609 PolarHBondContact O-N 2.76Å; E606-T610 WeakPolarHBondContact O-CB 3.43Å; E606-T610 PolarHBondContact O-N 3.47Å; E606-T610 PolarHBondContact O-OG1 3.36Å; E606-V645 HydrophobicContact CG-CG2 3.65Å
607D93.9Very high93.4Very high42 Ų4234.8 Ų34.823%0.22520%0.195CC..Hα-helixtrans-63.2-42.4175.5-70.6-35.2000110.9H575 F595 A599 R604 F605 T610 G611H575-D607 IonicContact CE1-OD2 2.95Å; H575-D607 PolarHBondContact CE1-OD2 3.26Å; H575-D607 IonicContact NE2-OD2 2.67Å; H575-D607 PolarHBondContact NE2-OD2 3.04Å; H575-D607 VanDerWaalsContact NE2-OD2 3.07Å; F595-D607 HydrophobicContact CE1-CB 4.04Å; F595-D607 WeakPolarHBondContact CE1-O 3.38Å; F595-D607 HydrophobicContact CZ-CB 3.68Å; A599-D607 HydrophobicContact CB-CB 4.02Å; R604-D607 HydrophobicContact CB-CB 4.11Å; R604-D607 PolarHBondContact O-N 3.06Å; F605-D607 VanDerWaalsContact C-N 3.34Å; D607-T610 PolarHBondContact O-N 3.32Å; D607-G611 PolarHBondContact O-N 3.15Å
608A94.3Very high93.2Very high0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-62.6-42.6175.600000112.6V596 A599 M600 R604 F605 G611 I612 F631V596-A608 HydrophobicContact CG1-CB 4.44Å; A599-A608 HydrophobicContact CB-CB 4.04Å; M600-A608 HydrophobicContact CG-CB 3.82Å; M600-A608 HydrophobicContact SD-CB 3.61Å; R604-A608 PolarHBondContact O-N 3.23Å; R604-A608 VanDerWaalsContact O-N 3.1Å; F605-A608 PolarHBondContact O-N 3.17Å; A608-G611 PolarHBondContact O-N 3.47Å; A608-I612 VanDerWaalsContact O-CG1 3.3Å; A608-I612 WeakPolarHBondContact O-CG1 3.47Å; A608-I612 PolarHBondContact O-N 3.01Å; A608-F631 HydrophobicContact CB-CE1 4Å; A608-F631 HydrophobicContact CB-CZ 4.29Å
609L94.5Very high92.8Very high0 Ų041.8 Ų41.80%023%0.232CC..Hα-helixtrans-61-46.8174.5-77.6162.7000111.6F605 E606 G611 I612 N613 F631 V645 E648 L649 L652F605-L609 WeakPolarHBondContact O-CG 3.46Å; F605-L609 PolarHBondContact O-N 3.42Å; E606-L609 PolarHBondContact O-N 2.76Å; L609-G611 VanDerWaalsContact C-N 3.29Å; L609-G611 PolarHBondContact O-N 2.95Å; L609-I612 PolarHBondContact O-N 3.45Å; L609-N613 WeakPolarHBondContact O-CB 3.26Å; L609-N613 PolarHBondContact O-N 2.89Å; L609-N613 PolarHBondContact O-ND2 3.05Å; L609-F631 HydrophobicContact CD1-CZ 4.18Å; L609-F631 HydrophobicContact CD2-CE1 3.97Å; L609-F631 HydrophobicContact CD2-CZ 4.14Å; L609-F631 HydrophobicContact CG-CE1 3.85Å; L609-F631 HydrophobicContact CG-CZ 3.69Å; L609-V645 HydrophobicContact CD1-CB 4.29Å; L609-V645 HydrophobicContact CD1-CG1 3.71Å; L609-E648 HydrophobicContact CD1-CB 3.7Å; L609-E648 HydrophobicContact CD2-CB 4.38Å; L609-L649 HydrophobicContact CD2-CB 4.08Å; L609-L649 HydrophobicContact CD2-CD1 4.11Å; L609-L652 HydrophobicContact CD2-CB 4.2Å; L609-L652 HydrophobicContact CD2-CD2 3.72Å
610T93.9Very high92.4Very high75 Ų7542.2 Ų42.246%0.4624%0.236SC..Hα-helixtrans-57.2-46.8177.3-57.70000110.2E606 D607 N613 H614E606-T610 WeakPolarHBondContact O-CB 3.43Å; E606-T610 PolarHBondContact O-N 3.47Å; E606-T610 PolarHBondContact O-OG1 3.36Å; D607-T610 PolarHBondContact O-N 3.32Å; T610-N613 PolarHBondContact O-N 3.21Å; T610-H614 WeakPolarHBondContact O-CB 3.32Å; T610-H614 PolarHBondContact O-N 3.22Å
611G94.5Very high92.1Very high0 Ų044.1 Ų44.10%025%0.247CC..Hα-helixtrans-65.6-42.1-179.900000114.1W592 D607 A608 L609 H614 I615W592-G611 VanDerWaalsContact CZ3-CA 3.46Å; D607-G611 PolarHBondContact O-N 3.15Å; A608-G611 PolarHBondContact O-N 3.47Å; L609-G611 VanDerWaalsContact C-N 3.29Å; L609-G611 PolarHBondContact O-N 2.95Å; G611-H614 PolarHBondContact O-N 3.21Å; G611-I615 VanDerWaalsContact O-CG1 3.31Å; G611-I615 WeakPolarHBondContact O-CG1 3.36Å; G611-I615 PolarHBondContact O-N 3.44Å
612I95Very high92Very high1 Ų142.8 Ų42.81%0.00523%0.233CC..Hα-helixtrans-66.9-42.9177.5-58.9165.1000110.5V596 A608 L609 H614 I615 L616 F622 I628 F631 L652V596-I612 HydrophobicContact CB-CG1 4.42Å; V596-I612 HydrophobicContact CG1-CD1 3.95Å; V596-I612 HydrophobicContact CG1-CG1 3.63Å; V596-I612 HydrophobicContact CG2-CG1 3.87Å; A608-I612 VanDerWaalsContact O-CG1 3.3Å; A608-I612 WeakPolarHBondContact O-CG1 3.47Å; A608-I612 PolarHBondContact O-N 3.01Å; L609-I612 PolarHBondContact O-N 3.45Å; I612-H614 VanDerWaalsContact C-N 3.31Å; I612-H614 PolarHBondContact O-N 3.2Å; I612-I615 PolarHBondContact O-N 3.39Å; I612-L616 HydrophobicContact CG2-CD1 4.34Å; I612-L616 WeakPolarHBondContact O-CG 3.3Å; I612-L616 PolarHBondContact O-N 3.45Å; I612-L616 VanDerWaalsContact O-N 3.1Å; I612-F622 HydrophobicContact CD1-CE1 3.96Å; I612-F622 HydrophobicContact CD1-CZ 4.05Å; I612-F622 HydrophobicContact CG1-CD1 4.42Å; I612-F622 HydrophobicContact CG1-CD2 4.49Å; I612-F622 HydrophobicContact CG1-CE1 4.04Å; I612-F622 HydrophobicContact CG1-CE2 4.12Å; I612-F622 HydrophobicContact CG1-CZ 3.88Å; I612-F622 HydrophobicContact CG2-CB 4.29Å; I612-F622 HydrophobicContact CG2-CD1 3.75Å; I612-F622 HydrophobicContact CG2-CD2 4.38Å; I612-F622 HydrophobicContact CG2-CE1 4.17Å; I612-F622 HydrophobicContact CG2-CG 3.87Å; I612-I628 HydrophobicContact CD1-CD1 4.1Å; I612-F631 HydrophobicContact CD1-CD1 4.42Å; I612-L652 HydrophobicContact CB-CD1 4.25Å; I612-L652 HydrophobicContact CB-CD2 3.94Å; I612-L652 HydrophobicContact CD1-CD2 3.81Å; I612-L652 HydrophobicContact CG1-CD2 4.49Å; I612-L652 HydrophobicContact CG2-CD1 3.65Å; I612-L652 HydrophobicContact CG2-CD2 3.87Å; I612-L652 HydrophobicContact CG2-CG 4.33Å
613N94.4Very high91.5Very high35 Ų3550.4 Ų50.419%0.18726%0.258CS..Hα-helixtrans-60.6-43.6176.2-78.9-59.5000111.2L609 T610 I615 L616 D617 R655L609-N613 WeakPolarHBondContact O-CB 3.26Å; L609-N613 PolarHBondContact O-N 2.89Å; L609-N613 PolarHBondContact O-ND2 3.05Å; T610-N613 PolarHBondContact O-N 3.21Å; N613-I615 PolarHBondContact O-N 3.48Å; N613-L616 PolarHBondContact O-N 2.89Å; N613-L616 VanDerWaalsContact O-N 3.11Å; N613-D617 WeakPolarHBondContact O-CB 3.49Å; N613-D617 PolarHBondContact O-N 3.13Å; N613-R655 PolarHBondContact OD1-NH1 3.45Å
614H93.3Very high91.3Very high13 Ų1352.5 Ų52.56%0.0626%0.261CS..Hα-helixtrans-57.9-47176.4-169.888.3000112.1Y586 W592 T610 G611 I612 L616 D617 Y618Y586-H614 AromaticContact CE1-CE1 3.24Å; Y586-H614 WeakPolarHBondContact CE1-CE1 3.36Å; Y586-H614 AromaticContact CE1-NE2 3.93Å; Y586-H614 AromaticContact CZ-CE1 3.54Å; Y586-H614 AromaticContact CZ-ND1 3.95Å; Y586-H614 PolarHBondContact OH-ND1 3.11Å; W592-H614 AromaticContact CD1-CD2 3.45Å; W592-H614 VanDerWaalsContact CD1-CD2 3.45Å; W592-H614 AromaticContact CD1-NE2 3.86Å; W592-H614 HydrophobicContact CD2-CB 4.24Å; W592-H614 AromaticContact CD2-CD2 3.76Å; W592-H614 AromaticContact CE2-CD2 3.19Å; W592-H614 AromaticContact CE2-CG 3.53Å; W592-H614 AromaticContact CE2-NE2 3.59Å; W592-H614 HydrophobicContact CE3-CB 4.37Å; W592-H614 AromaticContact CG-CD2 3.85Å; W592-H614 HydrophobicContact CH2-CB 4.23Å; W592-H614 HydrophobicContact CZ2-CB 4.1Å; W592-H614 AromaticContact CZ2-CD2 3.64Å; W592-H614 AromaticContact CZ2-CE1 3.9Å; W592-H614 AromaticContact CZ2-CG 3.53Å; W592-H614 AromaticContact CZ2-ND1 3.71Å; W592-H614 AromaticContact CZ2-NE2 3.87Å; W592-H614 HydrophobicContact CZ3-CB 4.38Å; W592-H614 AromaticContact NE1-CD2 3.01Å; W592-H614 PolarHBondContact NE1-CD2 3.48Å; W592-H614 AromaticContact NE1-CE1 3.98Å; W592-H614 AromaticContact NE1-CG 3.84Å; W592-H614 AromaticContact NE1-NE2 3.13Å; W592-H614 PolarHBondContact NE1-NE2 2.87Å; W592-H614 VanDerWaalsContact NE1-NE2 3.13Å; T610-H614 WeakPolarHBondContact O-CB 3.32Å; T610-H614 PolarHBondContact O-N 3.22Å; G611-H614 PolarHBondContact O-N 3.21Å; I612-H614 VanDerWaalsContact C-N 3.31Å; I612-H614 PolarHBondContact O-N 3.2Å; H614-L616 VanDerWaalsContact C-N 3.26Å; H614-L616 PolarHBondContact O-N 2.79Å; H614-D617 PolarHBondContact O-N 3.27Å; H614-Y618 AromaticContact CD2-CD2 3.87Å; H614-Y618 AromaticContact CE1-CD2 3.51Å; H614-Y618 AromaticContact CE1-CE2 3.03Å; H614-Y618 WeakPolarHBondContact CE1-CE2 3.36Å; H614-Y618 AromaticContact CE1-CZ 3.64Å; H614-Y618 AromaticContact ND1-CD2 3.94Å; H614-Y618 AromaticContact ND1-CE2 3.62Å; H614-Y618 AromaticContact NE2-CD2 3.46Å; H614-Y618 WeakPolarHBondContact NE2-CD2 3.4Å; H614-Y618 AromaticContact NE2-CE2 3.43Å; H614-Y618 WeakPolarHBondContact NE2-CE2 3.38Å; H614-Y618 AromaticContact NE2-CZ 3.97Å; H614-Y618 WeakPolarHBondContact O-CD2 3.49Å; H614-Y618 PolarHBondContact O-N 2.95Å; H614-Y618 VanDerWaalsContact O-N 3.1Å
615I94.5Very high91.1Very high0 Ų046.6 Ų46.60%024%0.24CC..Hα-helixtrans-55.7-45.1176-67.2164.1000110.7W592 E593 V596 G611 I612 N613 G620 F622W592-I615 HydrophobicContact CB-CD1 3.92Å; W592-I615 HydrophobicContact CB-CG1 3.62Å; W592-I615 HydrophobicContact CG-CG1 4.47Å; E593-I615 HydrophobicContact CG-CD1 3.84Å; V596-I615 HydrophobicContact CG2-CD1 4.36Å; G611-I615 VanDerWaalsContact O-CG1 3.31Å; G611-I615 WeakPolarHBondContact O-CG1 3.36Å; G611-I615 PolarHBondContact O-N 3.44Å; I612-I615 PolarHBondContact O-N 3.39Å; N613-I615 PolarHBondContact O-N 3.48Å; I615-G620 WeakPolarHBondContact O-CA 3.32Å; I615-G620 PolarHBondContact O-N 2.82Å; I615-F622 HydrophobicContact CD1-CD2 3.91Å; I615-F622 HydrophobicContact CD1-CE2 4.34Å; I615-F622 HydrophobicContact CG2-CB 4.33Å
616L92.6Very high90.9Very high16 Ų1649.4 Ų49.48%0.08425%0.254CS..Hα-helixtrans-69-39.3180-65.2174.6000113.2I612 N613 H614 Y618 G619 F622 L652 R655 L656 K659I612-L616 HydrophobicContact CG2-CD1 4.34Å; I612-L616 WeakPolarHBondContact O-CG 3.3Å; I612-L616 PolarHBondContact O-N 3.45Å; I612-L616 VanDerWaalsContact O-N 3.1Å; N613-L616 PolarHBondContact O-N 2.89Å; N613-L616 VanDerWaalsContact O-N 3.11Å; H614-L616 VanDerWaalsContact C-N 3.26Å; H614-L616 PolarHBondContact O-N 2.79Å; L616-Y618 VanDerWaalsContact C-N 3.29Å; L616-Y618 PolarHBondContact O-N 3.06Å; L616-G619 PolarHBondContact O-N 3.29Å; L616-G619 VanDerWaalsContact O-N 3.14Å; L616-F622 HydrophobicContact CD2-CB 4.37Å; L616-L652 HydrophobicContact CD1-CD1 3.72Å; L616-R655 HydrophobicContact CD1-CB 4.46Å; L616-L656 HydrophobicContact CD1-CD2 3.81Å; L616-L656 HydrophobicContact CD1-CG 4.23Å; L616-L656 HydrophobicContact CD2-CD2 4.04Å; L616-L656 HydrophobicContact CG-CD2 4.44Å; L616-K659 HydrophobicContact CD2-CD 3.88Å
617D92.2Very high90.8Very high102 Ų10245.6 Ų45.655%0.54524%0.237SC..Hα-helixtrans-63.9-36.4-179.4-67.9-22.7000111.4N613 H614 G619 R655N613-D617 WeakPolarHBondContact O-CB 3.49Å; N613-D617 PolarHBondContact O-N 3.13Å; H614-D617 PolarHBondContact O-N 3.27Å; D617-G619 PolarHBondContact O-N 2.64Å; D617-R655 IonicContact OD1-CZ 2.68Å; D617-R655 VanDerWaalsContact OD1-CZ 3.31Å; D617-R655 IonicContact OD1-NH1 3.07Å; D617-R655 PolarHBondContact OD1-NH1 3.26Å; D617-R655 VanDerWaalsContact OD1-NH1 3.08Å; D617-R655 IonicContact OD1-NH2 2.66Å; D617-R655 PolarHBondContact OD1-NH2 3.33Å
618Y88.9Confident90.6Very high130 Ų13043.8 Ų43.851%0.5123%0.227SC..THydrogen-bonded Turntrans-87.719.8176.5-76.4-102.3000113.1H614 L616 G620H614-Y618 AromaticContact CD2-CD2 3.87Å; H614-Y618 AromaticContact CE1-CD2 3.51Å; H614-Y618 AromaticContact CE1-CE2 3.03Å; H614-Y618 WeakPolarHBondContact CE1-CE2 3.36Å; H614-Y618 AromaticContact CE1-CZ 3.64Å; H614-Y618 AromaticContact ND1-CD2 3.94Å; H614-Y618 AromaticContact ND1-CE2 3.62Å; H614-Y618 AromaticContact NE2-CD2 3.46Å; H614-Y618 WeakPolarHBondContact NE2-CD2 3.4Å; H614-Y618 AromaticContact NE2-CE2 3.43Å; H614-Y618 WeakPolarHBondContact NE2-CE2 3.38Å; H614-Y618 AromaticContact NE2-CZ 3.97Å; H614-Y618 WeakPolarHBondContact O-CD2 3.49Å; H614-Y618 PolarHBondContact O-N 2.95Å; H614-Y618 VanDerWaalsContact O-N 3.1Å; L616-Y618 VanDerWaalsContact C-N 3.29Å; L616-Y618 PolarHBondContact O-N 3.06Å; Y618-G620 PolarHBondContact O-N 2.98Å
619G86.4Confident90.4Very high60 Ų6048.6 Ų48.662%0.61925%0.246SC*.THydrogen-bonded Turntrans76.9-1.5175.200000115.1L616 D617L616-G619 PolarHBondContact O-N 3.29Å; L616-G619 VanDerWaalsContact O-N 3.14Å; D617-G619 PolarHBondContact O-N 2.64Å
620G87.9Confident90.1Very high8 Ų851.3 Ų51.38%0.08226%0.264CS..  trans-61.4155.2177.900000114I615 Y618 K659I615-G620 WeakPolarHBondContact O-CA 3.32Å; I615-G620 PolarHBondContact O-N 2.82Å; Y618-G620 PolarHBondContact O-N 2.98Å; G620-K659 PolarHBondContact O-NZ 3.27Å
621D87.1Confident89.9Confident63 Ų6347.8 Ų47.834%0.33724%0.242SC..  trans-104.5116-175.7-164-12.7000109.7R623 Y660D621-R623 WeakPolarHBondContact OD1-CG 3.47Å; D621-R623 IonicContact OD1-NE 3.48Å; D621-R623 PolarHBondContact OD1-NE 3.3Å; D621-R623 VanDerWaalsContact OD1-NE 3.11Å; D621-R623 IonicContact OD2-CZ 3.59Å; D621-R623 IonicContact OD2-NE 3.57Å; D621-R623 PolarHBondContact OD2-NE 2.88Å; D621-R623 IonicContact OD2-NH2 3.08Å; D621-R623 PolarHBondContact OD2-NH2 2.91Å; D621-Y660 WeakPolarHBondContact OD1-CE1 3.44Å; D621-Y660 PolarHBondContact OD1-OH 2.87Å
622F88.7Confident89.6Confident12 Ų1247.9 Ų47.95%0.05324%0.243CC..  trans-111.591.5179.8-167.4-94.2000110.8V596 I612 I615 L616 N624 L627 I628 L656 Y660V596-F622 HydrophobicContact CG1-CE2 4.27Å; V596-F622 HydrophobicContact CG1-CZ 4.14Å; I612-F622 HydrophobicContact CD1-CE1 3.96Å; I612-F622 HydrophobicContact CD1-CZ 4.05Å; I612-F622 HydrophobicContact CG1-CD1 4.42Å; I612-F622 HydrophobicContact CG1-CD2 4.49Å; I612-F622 HydrophobicContact CG1-CE1 4.04Å; I612-F622 HydrophobicContact CG1-CE2 4.12Å; I612-F622 HydrophobicContact CG1-CZ 3.88Å; I612-F622 HydrophobicContact CG2-CB 4.29Å; I612-F622 HydrophobicContact CG2-CD1 3.75Å; I612-F622 HydrophobicContact CG2-CD2 4.38Å; I612-F622 HydrophobicContact CG2-CE1 4.17Å; I612-F622 HydrophobicContact CG2-CG 3.87Å; I615-F622 HydrophobicContact CD1-CD2 3.91Å; I615-F622 HydrophobicContact CD1-CE2 4.34Å; I615-F622 HydrophobicContact CG2-CB 4.33Å; L616-F622 HydrophobicContact CD2-CB 4.37Å; F622-N624 HydrophobicContact CE1-CB 4.15Å; F622-N624 HydrophobicContact CE2-CB 4.49Å; F622-N624 HydrophobicContact CZ-CB 3.97Å; F622-L627 HydrophobicContact CZ-CD2 3.94Å; F622-I628 HydrophobicContact CD1-CD1 4.25Å; F622-I628 HydrophobicContact CD1-CG1 4.46Å; F622-I628 HydrophobicContact CE1-CD1 3.83Å; F622-I628 HydrophobicContact CE1-CG1 3.98Å; F622-L656 HydrophobicContact CB-CD2 4.42Å; F622-L656 HydrophobicContact CD1-CD2 4.49Å; F622-Y660 PolarHBondContact N-OH 3.34Å; F622-Y660 VanDerWaalsContact N-OH 3.09Å
623R83.1Confident89.3Confident178 Ų17850.9 Ų50.967%0.67226%0.256SS*.  trans-102.110.9-176.3-59.4-173.1-173.4-170.57.1114.8D621 T625 Y660D621-R623 WeakPolarHBondContact OD1-CG 3.47Å; D621-R623 IonicContact OD1-NE 3.48Å; D621-R623 PolarHBondContact OD1-NE 3.3Å; D621-R623 VanDerWaalsContact OD1-NE 3.11Å; D621-R623 IonicContact OD2-CZ 3.59Å; D621-R623 IonicContact OD2-NE 3.57Å; D621-R623 PolarHBondContact OD2-NE 2.88Å; D621-R623 IonicContact OD2-NH2 3.08Å; D621-R623 PolarHBondContact OD2-NH2 2.91Å; R623-T625 PolarHBondContact O-N 3.45Å; R623-T625 PolarHBondContact O-OG1 3.32Å; R623-Y660 HydrophobicContact CG-CE1 4.19Å
624N87.5Confident88.9Confident82 Ų8250.4 Ų50.444%0.43926%0.257SS..  trans-77.670.1-179.8-163.9-19.2000110.9F622 E626 L627 I628F622-N624 HydrophobicContact CE1-CB 4.15Å; F622-N624 HydrophobicContact CE2-CB 4.49Å; F622-N624 HydrophobicContact CZ-CB 3.97Å; N624-E626 PolarHBondContact O-N 3.44Å; N624-L627 HydrophobicContact CB-CB 4.1Å; N624-L627 VanDerWaalsContact CG-CB 3.46Å; N624-L627 WeakPolarHBondContact O-CB 3.48Å; N624-L627 PolarHBondContact O-N 3.26Å; N624-L627 VanDerWaalsContact O-N 3.11Å; N624-L627 WeakPolarHBondContact OD1-CB 3.5Å; N624-L627 PolarHBondContact OD1-N 2.88Å; N624-L627 VanDerWaalsContact OD1-N 3.07Å; N624-I628 PolarHBondContact O-N 3.15Å; N624-I628 VanDerWaalsContact O-N 3.13Å
625T86.8Confident88.4Confident19 Ų1949.8 Ų49.812%0.11725%0.254CS..Hα-helixtrans-64.1-27.6-175.4-42.10000112.1R623 I628 R629 D663 R665 L666R623-T625 PolarHBondContact O-N 3.45Å; R623-T625 PolarHBondContact O-OG1 3.32Å; T625-I628 PolarHBondContact O-N 2.98Å; T625-R629 WeakPolarHBondContact O-CB 3.47Å; T625-R629 PolarHBondContact O-N 3.41Å; T625-D663 PolarHBondContact OG1-OD2 2.92Å; T625-R665 HydrophobicContact CG2-CB 3.54Å; T625-L666 HydrophobicContact CG2-CB 4.02Å
626E87.2Confident87.7Confident88 Ų8850.8 Ų50.841%0.41126%0.26SS..Hα-helixtrans-69-41.6174.6-175.958.9-168.900111.6N624 I628 R629 C630N624-E626 PolarHBondContact O-N 3.44Å; E626-I628 VanDerWaalsContact C-N 3.33Å; E626-I628 PolarHBondContact O-N 2.88Å; E626-R629 PolarHBondContact O-N 3.46Å; E626-R629 IonicContact OE1-CZ 2.78Å; E626-R629 IonicContact OE1-NE 3.67Å; E626-R629 IonicContact OE1-NH2 2.69Å; E626-R629 PolarHBondContact OE1-NH2 2.94Å; E626-R629 IonicContact OE2-CZ 2.8Å; E626-R629 IonicContact OE2-NE 3.2Å; E626-R629 PolarHBondContact OE2-NE 3.37Å; E626-R629 IonicContact OE2-NH2 3.73Å; E626-C630 PolarHBondContact O-N 3.27Å; E626-C630 PolarHBondContact O-SG 2.99Å; E626-C630 VanDerWaalsContact O-SG 3.36Å
627L89.3Confident87.2Confident34 Ų3457.6 Ų57.618%0.17829%0.291CS..Hα-helixtrans-62.5-41.5173.5-167.572.9000111.4V596 M600 F622 N624 R629 C630 F631V596-L627 HydrophobicContact CG1-CD2 3.75Å; M600-L627 HydrophobicContact CB-CD1 4.02Å; M600-L627 HydrophobicContact CG-CD1 4.01Å; M600-L627 HydrophobicContact CG-CD2 4.01Å; M600-L627 HydrophobicContact CG-CG 4.06Å; F622-L627 HydrophobicContact CZ-CD2 3.94Å; N624-L627 HydrophobicContact CB-CB 4.1Å; N624-L627 VanDerWaalsContact CG-CB 3.46Å; N624-L627 WeakPolarHBondContact O-CB 3.48Å; N624-L627 PolarHBondContact O-N 3.26Å; N624-L627 VanDerWaalsContact O-N 3.11Å; N624-L627 WeakPolarHBondContact OD1-CB 3.5Å; N624-L627 PolarHBondContact OD1-N 2.88Å; N624-L627 VanDerWaalsContact OD1-N 3.07Å; L627-R629 VanDerWaalsContact C-N 3.34Å; L627-R629 PolarHBondContact O-N 3.08Å; L627-C630 PolarHBondContact O-N 2.95Å; L627-F631 WeakPolarHBondContact O-CB 3.42Å; L627-F631 PolarHBondContact O-N 3.31Å
628I91Very high86.4Confident3 Ų355.2 Ų55.22%0.01528%0.281CS..Hα-helixtrans-58.4-47.6174.2-63.9-72.9000110.4I612 F622 N624 T625 E626 C630 F631 V632 L653 L656 L666 A669I612-I628 HydrophobicContact CD1-CD1 4.1Å; F622-I628 HydrophobicContact CD1-CD1 4.25Å; F622-I628 HydrophobicContact CD1-CG1 4.46Å; F622-I628 HydrophobicContact CE1-CD1 3.83Å; F622-I628 HydrophobicContact CE1-CG1 3.98Å; N624-I628 PolarHBondContact O-N 3.15Å; N624-I628 VanDerWaalsContact O-N 3.13Å; T625-I628 PolarHBondContact O-N 2.98Å; E626-I628 VanDerWaalsContact C-N 3.33Å; E626-I628 PolarHBondContact O-N 2.88Å; I628-C630 PolarHBondContact O-N 3.09Å; I628-F631 CarbonylContact O-C 3.53Å; I628-F631 WeakPolarHBondContact O-CA 3.43Å; I628-F631 VanDerWaalsContact O-CB 3.26Å; I628-F631 WeakPolarHBondContact O-CB 3.32Å; I628-F631 PolarHBondContact O-N 3.13Å; I628-V632 HydrophobicContact CG2-CG2 4.39Å; I628-V632 WeakPolarHBondContact O-CG2 3.4Å; I628-V632 PolarHBondContact O-N 2.72Å; I628-L653 HydrophobicContact CG2-CD2 3.53Å; I628-L656 HydrophobicContact CD1-CD1 3.37Å; I628-L656 HydrophobicContact CG1-CD1 4.07Å; I628-L666 HydrophobicContact CG2-CD1 3.98Å; I628-A669 HydrophobicContact CG2-CB 4.35Å
629R88.9Confident85.3Confident102 Ų10255 Ų5539%0.38529%0.293SS..Hα-helixtrans-60.4-47.6179.9-167.9-174.569.379.7-3.1111.3T625 E626 L627 F631 V632 H633T625-R629 WeakPolarHBondContact O-CB 3.47Å; T625-R629 PolarHBondContact O-N 3.41Å; E626-R629 PolarHBondContact O-N 3.46Å; E626-R629 IonicContact OE1-CZ 2.78Å; E626-R629 IonicContact OE1-NE 3.67Å; E626-R629 IonicContact OE1-NH2 2.69Å; E626-R629 PolarHBondContact OE1-NH2 2.94Å; E626-R629 IonicContact OE2-CZ 2.8Å; E626-R629 IonicContact OE2-NE 3.2Å; E626-R629 PolarHBondContact OE2-NE 3.37Å; E626-R629 IonicContact OE2-NH2 3.73Å; L627-R629 VanDerWaalsContact C-N 3.34Å; L627-R629 PolarHBondContact O-N 3.08Å; R629-F631 PolarHBondContact O-N 2.9Å; R629-V632 PolarHBondContact O-N 3.32Å; R629-H633 PolarHBondContact NH1-CD2 2.88Å; R629-H633 PolarHBondContact NH1-NE2 3.22Å; R629-H633 VanDerWaalsContact NH1-NE2 3.18Å; R629-H633 PolarHBondContact O-CD2 3Å; R629-H633 PolarHBondContact O-N 3.15Å
630C88Confident84.6Confident57 Ų5756.7 Ų56.739%0.38530%0.295SS..Hα-helixtrans-57.9-38.3173-710000111.8E626 L627 I628 H633 A634E626-C630 PolarHBondContact O-N 3.27Å; E626-C630 PolarHBondContact O-SG 2.99Å; E626-C630 VanDerWaalsContact O-SG 3.36Å; L627-C630 PolarHBondContact O-N 2.95Å; I628-C630 PolarHBondContact O-N 3.09Å; C630-H633 PolarHBondContact O-N 3.44Å; C630-A634 WeakPolarHBondContact O-CB 3.25Å; C630-A634 PolarHBondContact O-N 3.1Å
631F90.1Very high83.8Confident1 Ų159.6 Ų59.60%0.00433%0.325CS..Hα-helixtrans-63.7-48.4175.7-162.4174.3000111.8M600 F605 A608 L609 I612 L627 I628 R629 H633 A634 C635 V645 L649M600-F631 HydrophobicContact CE-CB 3.41Å; M600-F631 VanDerWaalsContact CE-CB 3.41Å; M600-F631 HydrophobicContact CE-CD1 4.16Å; M600-F631 HydrophobicContact CE-CD2 3.85Å; M600-F631 HydrophobicContact CE-CG 3.55Å; M600-F631 HydrophobicContact SD-CB 4Å; M600-F631 HydrophobicContact SD-CD1 3.54Å; M600-F631 VanDerWaalsContact SD-CD1 3.54Å; M600-F631 HydrophobicContact SD-CD2 3.84Å; M600-F631 HydrophobicContact SD-CE1 3.88Å; M600-F631 HydrophobicContact SD-CE2 4.21Å; M600-F631 HydrophobicContact SD-CG 3.52Å; M600-F631 VanDerWaalsContact SD-CG 3.52Å; M600-F631 HydrophobicContact SD-CZ 4.2Å; F605-F631 HydrophobicContact CB-CE2 3.57Å; F605-F631 HydrophobicContact CB-CZ 3.79Å; F605-F631 AromaticContact CD1-CD2 3.59Å; F605-F631 HydrophobicContact CD1-CD2 3.59Å; F605-F631 AromaticContact CD1-CE2 3.21Å; F605-F631 HydrophobicContact CD1-CE2 3.21Å; F605-F631 AromaticContact CD1-CZ 3.97Å; F605-F631 HydrophobicContact CD1-CZ 3.97Å; F605-F631 HydrophobicContact CE1-CD2 4.08Å; F605-F631 HydrophobicContact CE1-CE2 4.13Å; F605-F631 HydrophobicContact CG-CD2 4.42Å; F605-F631 AromaticContact CG-CE2 3.67Å; F605-F631 HydrophobicContact CG-CE2 3.67Å; F605-F631 HydrophobicContact CG-CZ 4.32Å; F605-F631 WeakPolarHBondContact O-CZ 3.31Å; A608-F631 HydrophobicContact CB-CE1 4Å; A608-F631 HydrophobicContact CB-CZ 4.29Å; L609-F631 HydrophobicContact CD1-CZ 4.18Å; L609-F631 HydrophobicContact CD2-CE1 3.97Å; L609-F631 HydrophobicContact CD2-CZ 4.14Å; L609-F631 HydrophobicContact CG-CE1 3.85Å; L609-F631 HydrophobicContact CG-CZ 3.69Å; I612-F631 HydrophobicContact CD1-CD1 4.42Å; L627-F631 WeakPolarHBondContact O-CB 3.42Å; L627-F631 PolarHBondContact O-N 3.31Å; I628-F631 CarbonylContact O-C 3.53Å; I628-F631 WeakPolarHBondContact O-CA 3.43Å; I628-F631 VanDerWaalsContact O-CB 3.26Å; I628-F631 WeakPolarHBondContact O-CB 3.32Å; I628-F631 PolarHBondContact O-N 3.13Å; R629-F631 PolarHBondContact O-N 2.9Å; F631-H633 VanDerWaalsContact C-N 3.33Å; F631-H633 PolarHBondContact O-N 3.05Å; F631-A634 PolarHBondContact O-N 2.86Å; F631-C635 VanDerWaalsContact CD2-SG 3.57Å; F631-C635 WeakPolarHBondContact CE2-SG 3.36Å; F631-C635 WeakPolarHBondContact O-CB 3.49Å; F631-C635 PolarHBondContact O-N 2.76Å; F631-C635 PolarHBondContact O-SG 2.67Å; F631-V645 HydrophobicContact CE2-CG1 4.12Å; F631-V645 HydrophobicContact CZ-CG1 4.3Å; F631-L649 HydrophobicContact CD1-CD1 4.08Å; F631-L649 HydrophobicContact CD2-CD2 4.3Å; F631-L649 HydrophobicContact CE1-CD1 4.26Å; F631-L649 HydrophobicContact CE2-CD2 4.47Å; F631-L649 HydrophobicContact CG-CD1 4.38Å; F631-L649 HydrophobicContact CG-CD2 4.49Å
632V89.5Confident83.3Confident1 Ų157.4 Ų57.41%0.00631%0.313CS..Hα-helixtrans-58.5-48.1176.3-169.30000110.3I628 R629 A634 C635 L636 L649 L653 A669 L672 I673I628-V632 HydrophobicContact CG2-CG2 4.39Å; I628-V632 WeakPolarHBondContact O-CG2 3.4Å; I628-V632 PolarHBondContact O-N 2.72Å; R629-V632 PolarHBondContact O-N 3.32Å; V632-A634 PolarHBondContact O-N 3.03Å; V632-C635 WeakPolarHBondContact O-CB 3.37Å; V632-C635 PolarHBondContact O-N 3.38Å; V632-L636 HydrophobicContact CG1-CD1 4.18Å; V632-L636 HydrophobicContact CG1-CG 4.42Å; V632-L636 VanDerWaalsContact O-CG 3.27Å; V632-L636 WeakPolarHBondContact O-CG 3.34Å; V632-L636 PolarHBondContact O-N 2.68Å; V632-L636 VanDerWaalsContact O-N 3.12Å; V632-L649 HydrophobicContact CG2-CD2 4.26Å; V632-L653 HydrophobicContact CG2-CD1 4.02Å; V632-A669 HydrophobicContact CG2-CB 4.04Å; V632-L672 HydrophobicContact CB-CD2 4.31Å; V632-L672 HydrophobicContact CG1-CB 4.45Å; V632-L672 HydrophobicContact CG1-CD2 3.64Å; V632-I673 HydrophobicContact CG1-CB 4.05Å; V632-I673 HydrophobicContact CG1-CG1 4.37Å
633H87.8Confident82.9Confident64 Ų6461.3 Ų61.330%0.29634%0.342SS..Hα-helixtrans-59.4-46.9178.7-73.2-64.5000112.9R629 C630 F631 C635 L636 E637R629-H633 PolarHBondContact NH1-CD2 2.88Å; R629-H633 PolarHBondContact NH1-NE2 3.22Å; R629-H633 VanDerWaalsContact NH1-NE2 3.18Å; R629-H633 PolarHBondContact O-CD2 3Å; R629-H633 PolarHBondContact O-N 3.15Å; C630-H633 PolarHBondContact O-N 3.44Å; F631-H633 VanDerWaalsContact C-N 3.33Å; F631-H633 PolarHBondContact O-N 3.05Å; H633-C635 VanDerWaalsContact C-N 3.29Å; H633-C635 PolarHBondContact O-N 3.25Å; H633-L636 PolarHBondContact O-N 3.28Å; H633-E637 PolarHBondContact O-N 3.23Å
634A85.7Confident83Confident25 Ų2555.1 Ų55.121%0.20733%0.326CS..Hα-helixtrans-60.7-37.9178.400000112.5F605 C630 F631 V632 L636 T638F605-A634 HydrophobicContact CE1-CB 3.86Å; F605-A634 HydrophobicContact CZ-CB 3.71Å; C630-A634 WeakPolarHBondContact O-CB 3.25Å; C630-A634 PolarHBondContact O-N 3.1Å; F631-A634 PolarHBondContact O-N 2.86Å; V632-A634 PolarHBondContact O-N 3.03Å; A634-L636 VanDerWaalsContact C-N 3.29Å; A634-L636 PolarHBondContact O-N 2.62Å; A634-T638 WeakPolarHBondContact O-CB 3.36Å; A634-T638 PolarHBondContact O-N 3.06Å; A634-T638 PolarHBondContact O-OG1 3.34Å
635C82.9Confident83Confident0 Ų051.3 Ų51.30%031%0.306CS..Hα-helixtrans-67-27.2175.1-78.60000114F631 V632 H633 M642 R646 L649F631-C635 VanDerWaalsContact CD2-SG 3.57Å; F631-C635 WeakPolarHBondContact CE2-SG 3.36Å; F631-C635 WeakPolarHBondContact O-CB 3.49Å; F631-C635 PolarHBondContact O-N 2.76Å; F631-C635 PolarHBondContact O-SG 2.67Å; V632-C635 WeakPolarHBondContact O-CB 3.37Å; V632-C635 PolarHBondContact O-N 3.38Å; H633-C635 VanDerWaalsContact C-N 3.29Å; H633-C635 PolarHBondContact O-N 3.25Å; C635-M642 HydrophobicContact CB-CE 4.23Å; C635-M642 WeakPolarHBondContact SG-CE 3.09Å; C635-R646 PolarHBondContact O-NE 3.38Å; C635-R646 PolarHBondContact O-NH2 3.38Å; C635-L649 HydrophobicContact CB-CD2 4.13Å
636L81.1Confident82.9Confident21 Ų2152.7 Ų52.711%0.1131%0.309CS..Hα-helixtrans-84.2-39179.5-66.9-179.5000112.4V632 H633 A634 T638 L672 Y676V632-L636 HydrophobicContact CG1-CD1 4.18Å; V632-L636 HydrophobicContact CG1-CG 4.42Å; V632-L636 VanDerWaalsContact O-CG 3.27Å; V632-L636 WeakPolarHBondContact O-CG 3.34Å; V632-L636 PolarHBondContact O-N 2.68Å; V632-L636 VanDerWaalsContact O-N 3.12Å; H633-L636 PolarHBondContact O-N 3.28Å; A634-L636 VanDerWaalsContact C-N 3.29Å; A634-L636 PolarHBondContact O-N 2.62Å; L636-T638 VanDerWaalsContact C-N 3.3Å; L636-T638 PolarHBondContact O-N 3.44Å; L636-L672 HydrophobicContact CD1-CD2 3.33Å; L636-L672 HydrophobicContact CD1-CG 3.88Å; L636-Y676 HydrophobicContact CB-CD1 4.42Å; L636-Y676 HydrophobicContact CD1-CD1 4.4Å; L636-Y676 HydrophobicContact CD1-CD2 3.49Å; L636-Y676 VanDerWaalsContact CD1-CD2 3.49Å; L636-Y676 HydrophobicContact CD1-CE2 3.77Å; L636-Y676 HydrophobicContact CD1-CG 3.84Å; L636-Y676 HydrophobicContact CD2-CD1 4.08Å; L636-Y676 HydrophobicContact CD2-CD2 4.1Å; L636-Y676 HydrophobicContact CD2-CG 3.59Å; L636-Y676 HydrophobicContact CG-CD2 4.33Å; L636-Y676 HydrophobicContact CG-CG 4.18Å
637E80.7Confident82.9Confident160 Ų16052.6 Ų52.675%0.74831%0.314SS*.Hα-helixtrans-67.7-31.8176.5-69.7178.8178.800112.1H633 T639H633-E637 PolarHBondContact O-N 3.23Å; E637-T639 PolarHBondContact O-N 3.3Å
638T75.2Confident83Confident52 Ų5255 Ų5532%0.31932%0.324SS..  trans-87.5108.5-177.7-46.20000110.7A634 L636 M642 R646A634-T638 WeakPolarHBondContact O-CB 3.36Å; A634-T638 PolarHBondContact O-N 3.06Å; A634-T638 PolarHBondContact O-OG1 3.34Å; L636-T638 VanDerWaalsContact C-N 3.3Å; L636-T638 PolarHBondContact O-N 3.44Å; T638-M642 HydrophobicContact CG2-CG 3.77Å; T638-R646 PolarHBondContact O-NH2 2.89Å
639T65.9Low83Confident124 Ų12454.8 Ų54.876%0.76132%0.324SS*.  trans-84-33.2-175.244.10000114.8E637E637-T639 PolarHBondContact O-N 3.3Å
640S71.4Confident83Confident96 Ų9651.5 Ų51.567%0.67131%0.312SS*.SBendtrans-94.1132.8-174.757.60000113.1M642S640-M642 VanDerWaalsContact C-N 3.32Å; S640-M642 PolarHBondContact O-N 3.06Å
641G71.2Confident83.2Confident70 Ų7054.2 Ų54.272%0.72232%0.322SS*.SBendtrans76.74.5167.300000116.8
642M77.8Confident83.4Confident17 Ų1754.1 Ų54.18%0.08432%0.322CS..  trans-101.612.4-173.2-67.3-72.5-82.300114F605 C635 T638 S640 V645 R646F605-M642 HydrophobicContact CB-CE 4.17Å; F605-M642 HydrophobicContact CD2-CE 3.17Å; F605-M642 HydrophobicContact CD2-SD 3.73Å; F605-M642 HydrophobicContact CE2-CE 3.6Å; F605-M642 HydrophobicContact CE2-SD 4.34Å; F605-M642 HydrophobicContact CG-CE 3.76Å; F605-M642 HydrophobicContact CZ-CE 4.49Å; C635-M642 HydrophobicContact CB-CE 4.23Å; C635-M642 WeakPolarHBondContact SG-CE 3.09Å; T638-M642 HydrophobicContact CG2-CG 3.77Å; S640-M642 VanDerWaalsContact C-N 3.32Å; S640-M642 PolarHBondContact O-N 3.06Å; M642-V645 HydrophobicContact CE-CB 4.35Å; M642-V645 HydrophobicContact CE-CG1 3.94Å; M642-V645 HydrophobicContact SD-CB 4.26Å; M642-V645 HydrophobicContact SD-CG1 4.42Å; M642-V645 HydrophobicContact SD-CG2 4.07Å; M642-R646 VanDerWaalsContact O-CB 3.3Å; M642-R646 WeakPolarHBondContact O-CB 3.46Å; M642-R646 WeakPolarHBondContact O-CD 3.2Å; M642-R646 WeakPolarHBondContact O-CG 3.26Å; M642-R646 PolarHBondContact O-N 3.33Å
643S79.8Confident83.5Confident93 Ų9354.1 Ų54.165%0.6532%0.321SS*.Hα-helixtrans-63.7-43.9-17650.40000112.7V647S643-V647 PolarHBondContact O-N 3.23Å
644S85Confident83.8Confident48 Ų4852.5 Ų52.534%0.33632%0.319SS..Hα-helixtrans-61.7-54.1175.650.90000111.4R646 V647 E648S644-R646 PolarHBondContact O-N 3.01Å; S644-V647 WeakPolarHBondContact O-CB 3.29Å; S644-V647 PolarHBondContact O-N 2.94Å; S644-E648 PolarHBondContact O-N 3.12Å
645V87Confident84.1Confident3 Ų355.8 Ų55.82%0.01833%0.326CS..Hα-helixtrans-52.8-41.7179.3178.60000111.4F605 E606 L609 F631 M642 V647 E648 L649F605-V645 HydrophobicContact CB-CG1 3.69Å; F605-V645 HydrophobicContact CB-CG2 4.35Å; E606-V645 HydrophobicContact CG-CG2 3.65Å; L609-V645 HydrophobicContact CD1-CB 4.29Å; L609-V645 HydrophobicContact CD1-CG1 3.71Å; F631-V645 HydrophobicContact CE2-CG1 4.12Å; F631-V645 HydrophobicContact CZ-CG1 4.3Å; M642-V645 HydrophobicContact CE-CB 4.35Å; M642-V645 HydrophobicContact CE-CG1 3.94Å; M642-V645 HydrophobicContact SD-CB 4.26Å; M642-V645 HydrophobicContact SD-CG1 4.42Å; M642-V645 HydrophobicContact SD-CG2 4.07Å; V645-V647 PolarHBondContact O-N 3.24Å; V645-E648 PolarHBondContact O-N 3.24Å; V645-L649 WeakPolarHBondContact O-CB 3.16Å; V645-L649 PolarHBondContact O-N 3.46Å
646R86Confident84.7Confident47 Ų4755.8 Ų55.818%0.17733%0.326CS..Hα-helixtrans-64.7-37.6178.7-81.7172.7-172.8-175.43.3113.4C635 T638 M642 S644 K650 M677C635-R646 PolarHBondContact O-NE 3.38Å; C635-R646 PolarHBondContact O-NH2 3.38Å; T638-R646 PolarHBondContact O-NH2 2.89Å; M642-R646 VanDerWaalsContact O-CB 3.3Å; M642-R646 WeakPolarHBondContact O-CB 3.46Å; M642-R646 WeakPolarHBondContact O-CD 3.2Å; M642-R646 WeakPolarHBondContact O-CG 3.26Å; M642-R646 PolarHBondContact O-N 3.33Å; S644-R646 PolarHBondContact O-N 3.01Å; R646-K650 WeakPolarHBondContact O-CG 3.19Å; R646-K650 PolarHBondContact O-N 3.38Å; R646-M677 HydrophobicContact CB-CE 3.5Å; R646-M677 HydrophobicContact CB-SD 3.9Å; R646-M677 HydrophobicContact CG-CE 3.79Å; R646-M677 HydrophobicContact CG-SD 4.37Å
647V86.8Confident85.2Confident87 Ų8755 Ų5553%0.52732%0.322SS..Hα-helixtrans-69.2-46.6176.3173.70000110.1S643 S644 V645 L649 K650 L651S643-V647 PolarHBondContact O-N 3.23Å; S644-V647 WeakPolarHBondContact O-CB 3.29Å; S644-V647 PolarHBondContact O-N 2.94Å; V645-V647 PolarHBondContact O-N 3.24Å; V647-L649 PolarHBondContact O-N 3.28Å; V647-K650 WeakPolarHBondContact O-CB 3.39Å; V647-K650 PolarHBondContact O-N 3Å; V647-L651 PolarHBondContact O-N 2.82Å
648E90.7Very high85.8Confident83 Ų8351.1 Ų51.139%0.38832%0.318SS..Hα-helixtrans-64.9-38.6178.3-71.6-178.7-163.500112.4L609 S644 V645 K650 L651 L652L609-E648 HydrophobicContact CD1-CB 3.7Å; L609-E648 HydrophobicContact CD2-CB 4.38Å; S644-E648 PolarHBondContact O-N 3.12Å; V645-E648 PolarHBondContact O-N 3.24Å; E648-K650 VanDerWaalsContact C-N 3.33Å; E648-K650 PolarHBondContact O-N 2.58Å; E648-L651 WeakPolarHBondContact O-CB 3.29Å; E648-L651 PolarHBondContact O-N 3.24Å; E648-L651 VanDerWaalsContact O-N 3.16Å; E648-L652 PolarHBondContact O-N 2.89Å
649L91.1Very high86.5Confident0 Ų052.8 Ų52.80%032%0.32CS..Hα-helixtrans-64.2-36.8175.7-176.858.5000112.1L609 F631 V632 C635 V645 V647 L651 L652 L653 I673L609-L649 HydrophobicContact CD2-CB 4.08Å; L609-L649 HydrophobicContact CD2-CD1 4.11Å; F631-L649 HydrophobicContact CD1-CD1 4.08Å; F631-L649 HydrophobicContact CD2-CD2 4.3Å; F631-L649 HydrophobicContact CE1-CD1 4.26Å; F631-L649 HydrophobicContact CE2-CD2 4.47Å; F631-L649 HydrophobicContact CG-CD1 4.38Å; F631-L649 HydrophobicContact CG-CD2 4.49Å; V632-L649 HydrophobicContact CG2-CD2 4.26Å; C635-L649 HydrophobicContact CB-CD2 4.13Å; V645-L649 WeakPolarHBondContact O-CB 3.16Å; V645-L649 PolarHBondContact O-N 3.46Å; V647-L649 PolarHBondContact O-N 3.28Å; L649-L651 VanDerWaalsContact C-N 3.34Å; L649-L652 HydrophobicContact CD1-CD2 4.32Å; L649-L652 PolarHBondContact O-N 3.23Å; L649-L653 HydrophobicContact CD1-CD1 4.36Å; L649-L653 HydrophobicContact CD1-CG 4.35Å; L649-L653 HydrophobicContact CG-CD1 4.09Å; L649-L653 WeakPolarHBondContact O-CB 2.88Å; L649-L653 VanDerWaalsContact O-CG 3.3Å; L649-L653 WeakPolarHBondContact O-CG 3.46Å; L649-L653 PolarHBondContact O-N 3.23Å; L649-I673 HydrophobicContact CB-CD1 3.9Å; L649-I673 HydrophobicContact CD2-CD1 3.64Å; L649-I673 HydrophobicContact CG-CD1 3.59Å
650K89.7Confident87.7Confident32 Ų3248.4 Ų48.414%0.13929%0.29CS..Hα-helixtrans-59.9-44.6171.8-79.8172.5168.2173.60111.4R646 V647 E648 L653 A654 Y670 I673 M677R646-K650 WeakPolarHBondContact O-CG 3.19Å; R646-K650 PolarHBondContact O-N 3.38Å; V647-K650 WeakPolarHBondContact O-CB 3.39Å; V647-K650 PolarHBondContact O-N 3Å; E648-K650 VanDerWaalsContact C-N 3.33Å; E648-K650 PolarHBondContact O-N 2.58Å; K650-L653 PolarHBondContact O-N 3.48Å; K650-A654 PolarHBondContact O-N 3Å; K650-A654 VanDerWaalsContact O-N 3.08Å; K650-Y670 WeakPolarHBondContact O-CE2 3.17Å; K650-I673 HydrophobicContact CG-CD1 3.88Å; K650-I673 HydrophobicContact CG-CG1 4.08Å; K650-I673 HydrophobicContact CG-CG2 3.78Å; K650-M677 HydrophobicContact CD-CE 4.16Å; K650-M677 VanDerWaalsContact CE-CE 3.4Å; K650-M677 PolarHBondContact NZ-SD 3.26Å; K650-M677 VanDerWaalsContact NZ-SD 3.38Å
651L91.9Very high88.6Confident114 Ų11446.4 Ų46.460%0.59728%0.275SS*.Hα-helixtrans-65-43.2177.3-65.5173.4000111.3V647 E648 L649 A654 R655V647-L651 PolarHBondContact O-N 2.82Å; E648-L651 WeakPolarHBondContact O-CB 3.29Å; E648-L651 PolarHBondContact O-N 3.24Å; E648-L651 VanDerWaalsContact O-N 3.16Å; L649-L651 VanDerWaalsContact C-N 3.34Å; L651-A654 WeakPolarHBondContact O-CB 3.45Å; L651-A654 PolarHBondContact O-N 3.02Å; L651-R655 WeakPolarHBondContact O-CG 3.34Å; L651-R655 PolarHBondContact O-N 3.48Å
652L93.3Very high89.4Confident0 Ų048.3 Ų48.30%027%0.269CS..Hα-helixtrans-60.9-46.2176.7176.562.5000111.8L609 I612 L616 E648 L649 A654 R655 L656L609-L652 HydrophobicContact CD2-CB 4.2Å; L609-L652 HydrophobicContact CD2-CD2 3.72Å; I612-L652 HydrophobicContact CB-CD1 4.25Å; I612-L652 HydrophobicContact CB-CD2 3.94Å; I612-L652 HydrophobicContact CD1-CD2 3.81Å; I612-L652 HydrophobicContact CG1-CD2 4.49Å; I612-L652 HydrophobicContact CG2-CD1 3.65Å; I612-L652 HydrophobicContact CG2-CD2 3.87Å; I612-L652 HydrophobicContact CG2-CG 4.33Å; L616-L652 HydrophobicContact CD1-CD1 3.72Å; E648-L652 PolarHBondContact O-N 2.89Å; L649-L652 HydrophobicContact CD1-CD2 4.32Å; L649-L652 PolarHBondContact O-N 3.23Å; L652-A654 VanDerWaalsContact C-N 3.28Å; L652-A654 PolarHBondContact O-N 3.24Å; L652-R655 WeakPolarHBondContact O-CB 3.38Å; L652-R655 PolarHBondContact O-N 3.43Å; L652-R655 VanDerWaalsContact O-N 3.12Å; L652-L656 HydrophobicContact CD1-CD1 4.1Å; L652-L656 HydrophobicContact CD1-CG 4.11Å; L652-L656 HydrophobicContact CD2-CD1 4.41Å; L652-L656 HydrophobicContact CG-CD1 3.88Å; L652-L656 HydrophobicContact CG-CG 4.34Å; L652-L656 WeakPolarHBondContact O-CG 3.47Å; L652-L656 PolarHBondContact O-N 3.47Å
653L93.5Very high90Very high0 Ų049.5 Ų49.50%028%0.275CS..Hα-helixtrans-61.7-36.8176.9-74.5164000111.8I628 V632 L649 K650 L656 T657 L666 A669 Y670 I673I628-L653 HydrophobicContact CG2-CD2 3.53Å; V632-L653 HydrophobicContact CG2-CD1 4.02Å; L649-L653 HydrophobicContact CD1-CD1 4.36Å; L649-L653 HydrophobicContact CD1-CG 4.35Å; L649-L653 HydrophobicContact CG-CD1 4.09Å; L649-L653 WeakPolarHBondContact O-CB 2.88Å; L649-L653 VanDerWaalsContact O-CG 3.3Å; L649-L653 WeakPolarHBondContact O-CG 3.46Å; L649-L653 PolarHBondContact O-N 3.23Å; K650-L653 PolarHBondContact O-N 3.48Å; L653-L656 PolarHBondContact O-N 3.44Å; L653-T657 WeakPolarHBondContact O-CB 3.25Å; L653-T657 WeakPolarHBondContact O-CG2 3.48Å; L653-T657 PolarHBondContact O-N 2.89Å; L653-T657 PolarHBondContact O-OG1 3.38Å; L653-L666 HydrophobicContact CD2-CD1 3.85Å; L653-A669 HydrophobicContact CD2-CB 4.37Å; L653-Y670 HydrophobicContact CB-CD1 4.49Å; L653-Y670 HydrophobicContact CB-CD2 3.46Å; L653-Y670 VanDerWaalsContact CB-CD2 3.46Å; L653-Y670 HydrophobicContact CB-CE2 3.85Å; L653-Y670 HydrophobicContact CB-CG 3.83Å; L653-Y670 HydrophobicContact CD1-CD2 4.03Å; L653-Y670 HydrophobicContact CG-CD2 4.34Å; L653-I673 HydrophobicContact CD1-CB 4.3Å; L653-I673 HydrophobicContact CD1-CD1 3.95Å; L653-I673 HydrophobicContact CD1-CG2 3.99Å
654A92.6Very high90.5Very high30 Ų3046.9 Ų46.925%0.24825%0.254CS..Hα-helixtrans-60.5-45.7172.300000111.9K650 L651 L652 T657 A658 Y670K650-A654 PolarHBondContact O-N 3Å; K650-A654 VanDerWaalsContact O-N 3.08Å; L651-A654 WeakPolarHBondContact O-CB 3.45Å; L651-A654 PolarHBondContact O-N 3.02Å; L652-A654 VanDerWaalsContact C-N 3.28Å; L652-A654 PolarHBondContact O-N 3.24Å; A654-T657 PolarHBondContact O-OG1 3.49Å; A654-T657 VanDerWaalsContact O-OG1 3.11Å; A654-A658 WeakPolarHBondContact O-CB 3.22Å; A654-A658 PolarHBondContact O-N 3.38Å; A654-A658 VanDerWaalsContact O-N 3.08Å; A654-Y670 HydrophobicContact CB-CE1 4.25Å; A654-Y670 WeakPolarHBondContact CB-OH 3.41Å
655R93.6Very high90.7Very high94 Ų9453 Ų5336%0.35527%0.27SS..Hα-helixtrans-62.7-47.9177-67.1178.365.6175.47.3111.8N613 L616 D617 L651 L652 A658 K659N613-R655 PolarHBondContact OD1-NH1 3.45Å; L616-R655 HydrophobicContact CD1-CB 4.46Å; D617-R655 IonicContact OD1-CZ 2.68Å; D617-R655 VanDerWaalsContact OD1-CZ 3.31Å; D617-R655 IonicContact OD1-NH1 3.07Å; D617-R655 PolarHBondContact OD1-NH1 3.26Å; D617-R655 VanDerWaalsContact OD1-NH1 3.08Å; D617-R655 IonicContact OD1-NH2 2.66Å; D617-R655 PolarHBondContact OD1-NH2 3.33Å; L651-R655 WeakPolarHBondContact O-CG 3.34Å; L651-R655 PolarHBondContact O-N 3.48Å; L652-R655 WeakPolarHBondContact O-CB 3.38Å; L652-R655 PolarHBondContact O-N 3.43Å; L652-R655 VanDerWaalsContact O-N 3.12Å; R655-A658 PolarHBondContact O-N 3.11Å; R655-K659 PolarHBondContact O-N 3.25Å
656L93.6Very high90.9Very high1 Ų153.1 Ų53.11%0.00527%0.27CS..Hα-helixtrans-63.1-45-179.6-69.9168.7000111.1L616 F622 I628 L652 L653 A658 K659 Y660 L666L616-L656 HydrophobicContact CD1-CD2 3.81Å; L616-L656 HydrophobicContact CD1-CG 4.23Å; L616-L656 HydrophobicContact CD2-CD2 4.04Å; L616-L656 HydrophobicContact CG-CD2 4.44Å; F622-L656 HydrophobicContact CB-CD2 4.42Å; F622-L656 HydrophobicContact CD1-CD2 4.49Å; I628-L656 HydrophobicContact CD1-CD1 3.37Å; I628-L656 HydrophobicContact CG1-CD1 4.07Å; L652-L656 HydrophobicContact CD1-CD1 4.1Å; L652-L656 HydrophobicContact CD1-CG 4.11Å; L652-L656 HydrophobicContact CD2-CD1 4.41Å; L652-L656 HydrophobicContact CG-CD1 3.88Å; L652-L656 HydrophobicContact CG-CG 4.34Å; L652-L656 WeakPolarHBondContact O-CG 3.47Å; L652-L656 PolarHBondContact O-N 3.47Å; L653-L656 PolarHBondContact O-N 3.44Å; L656-A658 VanDerWaalsContact C-N 3.3Å; L656-A658 PolarHBondContact O-N 2.79Å; L656-K659 PolarHBondContact O-N 2.73Å; L656-K659 VanDerWaalsContact O-N 3.12Å; L656-Y660 HydrophobicContact CD2-CD2 4.47Å; L656-Y660 HydrophobicContact CD2-CE2 3.93Å; L656-Y660 WeakPolarHBondContact O-CD2 3.32Å; L656-Y660 PolarHBondContact O-N 3.25Å; L656-L666 HydrophobicContact CB-CD1 3.94Å; L656-L666 HydrophobicContact CB-CD2 3.57Å; L656-L666 HydrophobicContact CB-CG 4.28Å; L656-L666 HydrophobicContact CD1-CD1 4.09Å; L656-L666 WeakPolarHBondContact O-CD2 3.43Å
657T93Very high91.3Very high4 Ų451.2 Ų51.23%0.02526%0.263CS..Hα-helixtrans-68.3-29.8-179.648.60000112.5L653 A654 Y660 P661 L666 W667 Y670L653-T657 WeakPolarHBondContact O-CB 3.25Å; L653-T657 WeakPolarHBondContact O-CG2 3.48Å; L653-T657 PolarHBondContact O-N 2.89Å; L653-T657 PolarHBondContact O-OG1 3.38Å; A654-T657 PolarHBondContact O-OG1 3.49Å; A654-T657 VanDerWaalsContact O-OG1 3.11Å; T657-Y660 CarbonylContact O-C 3.56Å; T657-P661 VanDerWaalsContact O-CA 3.25Å; T657-P661 WeakPolarHBondContact O-CA 3.41Å; T657-L666 HydrophobicContact CG2-CB 4.44Å; T657-L666 HydrophobicContact CG2-CD2 3.73Å; T657-L666 HydrophobicContact CG2-CG 3.63Å; T657-W667 HydrophobicContact CG2-CD2 3.72Å; T657-W667 HydrophobicContact CG2-CE3 3.79Å; T657-W667 HydrophobicContact CG2-CG 4.2Å; T657-W667 HydrophobicContact CG2-CH2 4.36Å; T657-W667 HydrophobicContact CG2-CZ2 4.32Å; T657-W667 HydrophobicContact CG2-CZ3 4.11Å; T657-Y670 HydrophobicContact CG2-CD1 3.92Å
658A91.9Very high91.6Very high79 Ų7948.9 Ų48.965%0.65325%0.246SC*.Hα-helixtrans-67.7-38.5170.100000112.1A654 R655 L656A654-A658 WeakPolarHBondContact O-CB 3.22Å; A654-A658 PolarHBondContact O-N 3.38Å; A654-A658 VanDerWaalsContact O-N 3.08Å; R655-A658 PolarHBondContact O-N 3.11Å; L656-A658 VanDerWaalsContact C-N 3.3Å; L656-A658 PolarHBondContact O-N 2.79Å
659K90.4Very high91.6Very high86 Ų8645.2 Ų45.237%0.37423%0.23SC..Hα-helixtrans-73.6-36177.7-168167.9-178.7167.60112.7L616 G620 R655 L656 P661L616-K659 HydrophobicContact CD2-CD 3.88Å; G620-K659 PolarHBondContact O-NZ 3.27Å; R655-K659 PolarHBondContact O-N 3.25Å; L656-K659 PolarHBondContact O-N 2.73Å; L656-K659 VanDerWaalsContact O-N 3.12Å; K659-P661 VanDerWaalsContact C-CD 3.48Å; K659-P661 WeakPolarHBondContact O-CD 3.44Å
660Y91.3Very high91.7Very high32 Ų3245.6 Ų45.613%0.12523%0.231CC..  trans-122.669.9-179.4-44.5-71.5000111.1D621 F622 R623 L656 T657 N662 D663 L666D621-Y660 WeakPolarHBondContact OD1-CE1 3.44Å; D621-Y660 PolarHBondContact OD1-OH 2.87Å; F622-Y660 PolarHBondContact N-OH 3.34Å; F622-Y660 VanDerWaalsContact N-OH 3.09Å; R623-Y660 HydrophobicContact CG-CE1 4.19Å; L656-Y660 HydrophobicContact CD2-CD2 4.47Å; L656-Y660 HydrophobicContact CD2-CE2 3.93Å; L656-Y660 WeakPolarHBondContact O-CD2 3.32Å; L656-Y660 PolarHBondContact O-N 3.25Å; T657-Y660 CarbonylContact O-C 3.56Å; Y660-N662 PolarHBondContact O-N 3.17Å; Y660-D663 PolarHBondContact O-N 3.47Å; Y660-D663 VanDerWaalsContact O-N 3.09Å; Y660-L666 HydrophobicContact CD2-CD2 4.27Å
661P90.4Very high91.8Very high54 Ų5444.3 Ų44.335%0.35123%0.226SC..THydrogen-bonded Turntrans-66.4-14.9-170.726.7-36.2000114.6T657 K659 W667 R695T657-P661 VanDerWaalsContact O-CA 3.25Å; T657-P661 WeakPolarHBondContact O-CA 3.41Å; K659-P661 VanDerWaalsContact C-CD 3.48Å; K659-P661 WeakPolarHBondContact O-CD 3.44Å; P661-W667 PolarHBondContact O-NE1 3.47Å; P661-R695 PolarHBondContact O-NH2 2.89Å
662N89.1Confident91.6Very high110 Ų11040.9 Ų40.959%0.58821%0.208SC*.THydrogen-bonded Turntrans-105.52.1-179.9-60.7-22.3000113Y660 L664Y660-N662 PolarHBondContact O-N 3.17Å; N662-L664 PolarHBondContact O-N 2.95Å; N662-L664 VanDerWaalsContact O-N 3.14Å
663D89.3Confident91.3Very high42 Ų4240.9 Ų40.923%0.22521%0.208CC..  trans-79.796.6173.6-173.1-19.6000110T625 Y660 R665 L666 W667T625-D663 PolarHBondContact OG1-OD2 2.92Å; Y660-D663 PolarHBondContact O-N 3.47Å; Y660-D663 VanDerWaalsContact O-N 3.09Å; D663-R665 VanDerWaalsContact C-N 3.29Å; D663-R665 PolarHBondContact O-N 3.46Å; D663-R665 WeakPolarHBondContact OD1-CB 3.32Å; D663-R665 PolarHBondContact OD1-N 2.99Å; D663-L666 HydrophobicContact CB-CB 3.96Å; D663-L666 WeakPolarHBondContact O-CB 3.18Å; D663-L666 PolarHBondContact O-N 2.87Å; D663-L666 PolarHBondContact OD1-N 2.87Å; D663-W667 PolarHBondContact O-N 3.47Å
664L90.1Very high90.9Very high38 Ų3842.3 Ų42.320%0.19921%0.214CC..Hα-helixtrans-57.3-39.7178.9179.460.3000113.1N662 L666 W667 K668 I696 V699 E700N662-L664 PolarHBondContact O-N 2.95Å; N662-L664 VanDerWaalsContact O-N 3.14Å; L664-L666 VanDerWaalsContact C-N 3.28Å; L664-L666 PolarHBondContact O-N 3.06Å; L664-W667 PolarHBondContact O-N 3.49Å; L664-K668 HydrophobicContact CD1-CG 4.38Å; L664-K668 HydrophobicContact CG-CD 4.27Å; L664-K668 HydrophobicContact CG-CG 4.48Å; L664-K668 WeakPolarHBondContact O-CG 3.4Å; L664-K668 PolarHBondContact O-N 3.4Å; L664-I696 HydrophobicContact CD1-CB 4.4Å; L664-I696 HydrophobicContact CD1-CG2 3.77Å; L664-V699 HydrophobicContact CB-CG1 3.92Å; L664-V699 HydrophobicContact CD1-CB 4.4Å; L664-V699 HydrophobicContact CD1-CG1 4.34Å; L664-E700 HydrophobicContact CD1-CG 3.66Å; L664-E700 HydrophobicContact CD2-CG 3.39Å; L664-E700 HydrophobicContact CG-CG 4.16Å
665R89.7Confident90.3Very high178 Ų17845 Ų4567%0.67222%0.222SC*.Hα-helixtrans-66.7-36.8-176.2-68178.1-179.2173.10.3110.7T625 D663 K668 A669T625-R665 HydrophobicContact CG2-CB 3.54Å; D663-R665 VanDerWaalsContact C-N 3.29Å; D663-R665 PolarHBondContact O-N 3.46Å; D663-R665 WeakPolarHBondContact OD1-CB 3.32Å; D663-R665 PolarHBondContact OD1-N 2.99Å; R665-K668 PolarHBondContact O-N 3.4Å; R665-A669 PolarHBondContact O-N 3.43Å
666L92Very high89.3Confident4 Ų447.6 Ų47.62%0.02123%0.232CC..Hα-helixtrans-66.9-42.4176.1-175.468.6000111.9T625 I628 L653 L656 T657 Y660 D663 L664 A669 Y670T625-L666 HydrophobicContact CG2-CB 4.02Å; I628-L666 HydrophobicContact CG2-CD1 3.98Å; L653-L666 HydrophobicContact CD2-CD1 3.85Å; L656-L666 HydrophobicContact CB-CD1 3.94Å; L656-L666 HydrophobicContact CB-CD2 3.57Å; L656-L666 HydrophobicContact CB-CG 4.28Å; L656-L666 HydrophobicContact CD1-CD1 4.09Å; L656-L666 WeakPolarHBondContact O-CD2 3.43Å; T657-L666 HydrophobicContact CG2-CB 4.44Å; T657-L666 HydrophobicContact CG2-CD2 3.73Å; T657-L666 HydrophobicContact CG2-CG 3.63Å; Y660-L666 HydrophobicContact CD2-CD2 4.27Å; D663-L666 HydrophobicContact CB-CB 3.96Å; D663-L666 WeakPolarHBondContact O-CB 3.18Å; D663-L666 PolarHBondContact O-N 2.87Å; D663-L666 PolarHBondContact OD1-N 2.87Å; L664-L666 VanDerWaalsContact C-N 3.28Å; L664-L666 PolarHBondContact O-N 3.06Å; L666-A669 PolarHBondContact O-N 3.22Å; L666-Y670 WeakPolarHBondContact O-CB 3.36Å; L666-Y670 PolarHBondContact O-N 3.4Å
667W93.6Very high88Confident7 Ų749 Ų493%0.02724%0.239CC..Hα-helixtrans-62.5-41.1173.1-73.6110.6000112.2T657 P661 D663 L664 A669 Y670 A671 F691 I692 R695 I696T657-W667 HydrophobicContact CG2-CD2 3.72Å; T657-W667 HydrophobicContact CG2-CE3 3.79Å; T657-W667 HydrophobicContact CG2-CG 4.2Å; T657-W667 HydrophobicContact CG2-CH2 4.36Å; T657-W667 HydrophobicContact CG2-CZ2 4.32Å; T657-W667 HydrophobicContact CG2-CZ3 4.11Å; P661-W667 PolarHBondContact O-NE1 3.47Å; D663-W667 PolarHBondContact O-N 3.47Å; L664-W667 PolarHBondContact O-N 3.49Å; W667-A669 PolarHBondContact O-N 3.02Å; W667-Y670 HydrophobicContact CE3-CD1 4.15Å; W667-Y670 HydrophobicContact CZ3-CD1 4.06Å; W667-Y670 HydrophobicContact CZ3-CE1 4.45Å; W667-Y670 CarbonylContact O-C 3.52Å; W667-Y670 WeakPolarHBondContact O-CA 3.35Å; W667-Y670 WeakPolarHBondContact O-CB 3.49Å; W667-Y670 PolarHBondContact O-N 3.47Å; W667-Y670 VanDerWaalsContact O-N 3.09Å; W667-A671 PolarHBondContact O-N 3.01Å; W667-F691 AromaticContact CH2-CE1 3.79Å; W667-F691 HydrophobicContact CH2-CE1 3.79Å; W667-F691 HydrophobicContact CH2-CZ 4.16Å; W667-F691 AromaticContact CZ3-CE1 3.98Å; W667-F691 HydrophobicContact CZ3-CE1 3.98Å; W667-I692 HydrophobicContact CE3-CG2 4.2Å; W667-I692 HydrophobicContact CZ3-CG1 4.3Å; W667-R695 HydrophobicContact CD2-CB 3.91Å; W667-R695 HydrophobicContact CE3-CB 3.97Å; W667-R695 HydrophobicContact CH2-CB 4.1Å; W667-R695 HydrophobicContact CH2-CG 3.85Å; W667-R695 HydrophobicContact CZ2-CB 4.02Å; W667-R695 HydrophobicContact CZ2-CG 3.97Å; W667-R695 HydrophobicContact CZ3-CB 4.07Å; W667-R695 HydrophobicContact CZ3-CG 4.15Å; W667-I696 HydrophobicContact CB-CD1 4.31Å; W667-I696 HydrophobicContact CB-CG1 3.53Å
668K92.6Very high86.5Confident39 Ų3953.2 Ų53.217%0.1727%0.267CS..Hα-helixtrans-60.4-43.6174.5-70.5-178.5178.9-179.80111.6L664 R665 Y670 A671 L672 I696 E700 E715 W719L664-K668 HydrophobicContact CD1-CG 4.38Å; L664-K668 HydrophobicContact CG-CD 4.27Å; L664-K668 HydrophobicContact CG-CG 4.48Å; L664-K668 WeakPolarHBondContact O-CG 3.4Å; L664-K668 PolarHBondContact O-N 3.4Å; R665-K668 PolarHBondContact O-N 3.4Å; K668-Y670 VanDerWaalsContact C-N 3.27Å; K668-Y670 PolarHBondContact O-N 3.37Å; K668-A671 PolarHBondContact O-N 2.96Å; K668-L672 PolarHBondContact O-N 3.5Å; K668-L672 VanDerWaalsContact O-N 3.1Å; K668-I696 HydrophobicContact CG-CD1 4.4Å; K668-I696 HydrophobicContact CG-CG2 4.35Å; K668-E700 WeakPolarHBondContact CE-OE1 3.47Å; K668-E700 IonicContact NZ-OE1 2.83Å; K668-E700 PolarHBondContact NZ-OE1 3.2Å; K668-E715 IonicContact NZ-OE1 2.66Å; K668-E715 PolarHBondContact NZ-OE1 3.3Å; K668-E715 IonicContact NZ-OE2 3.27Å; K668-E715 PolarHBondContact NZ-OE2 2.95Å; K668-W719 HydrophobicContact CB-CZ2 4.14Å; K668-W719 HydrophobicContact CD-CZ2 4.21Å; K668-W719 HydrophobicContact CG-CH2 4.46Å; K668-W719 HydrophobicContact CG-CZ2 3.66Å
669A91.1Very high84.8Confident6 Ų654.1 Ų54.15%0.0526%0.264CS..Hα-helixtrans-61.7-36.8173.500000111.9I628 V632 L653 R665 L666 W667 L672 I673I628-A669 HydrophobicContact CG2-CB 4.35Å; V632-A669 HydrophobicContact CG2-CB 4.04Å; L653-A669 HydrophobicContact CD2-CB 4.37Å; R665-A669 PolarHBondContact O-N 3.43Å; L666-A669 PolarHBondContact O-N 3.22Å; W667-A669 PolarHBondContact O-N 3.02Å; A669-L672 PolarHBondContact O-N 2.89Å; A669-I673 PolarHBondContact O-N 2.83Å
670Y92.8Very high83.4Confident7 Ų753.7 Ų53.73%0.02728%0.284CS..Hα-helixtrans-71.5-31.8177-163.4-162.5000113.6K650 L653 A654 T657 L666 W667 K668 I673 Y674 K688 I692K650-Y670 WeakPolarHBondContact O-CE2 3.17Å; L653-Y670 HydrophobicContact CB-CD1 4.49Å; L653-Y670 HydrophobicContact CB-CD2 3.46Å; L653-Y670 VanDerWaalsContact CB-CD2 3.46Å; L653-Y670 HydrophobicContact CB-CE2 3.85Å; L653-Y670 HydrophobicContact CB-CG 3.83Å; L653-Y670 HydrophobicContact CD1-CD2 4.03Å; L653-Y670 HydrophobicContact CG-CD2 4.34Å; A654-Y670 HydrophobicContact CB-CE1 4.25Å; A654-Y670 WeakPolarHBondContact CB-OH 3.41Å; T657-Y670 HydrophobicContact CG2-CD1 3.92Å; L666-Y670 WeakPolarHBondContact O-CB 3.36Å; L666-Y670 PolarHBondContact O-N 3.4Å; W667-Y670 HydrophobicContact CE3-CD1 4.15Å; W667-Y670 HydrophobicContact CZ3-CD1 4.06Å; W667-Y670 HydrophobicContact CZ3-CE1 4.45Å; W667-Y670 CarbonylContact O-C 3.52Å; W667-Y670 WeakPolarHBondContact O-CA 3.35Å; W667-Y670 WeakPolarHBondContact O-CB 3.49Å; W667-Y670 PolarHBondContact O-N 3.47Å; W667-Y670 VanDerWaalsContact O-N 3.09Å; K668-Y670 VanDerWaalsContact C-N 3.27Å; K668-Y670 PolarHBondContact O-N 3.37Å; Y670-I673 HydrophobicContact CD2-CG2 3.98Å; Y670-I673 HydrophobicContact CE2-CG2 4.48Å; Y670-I673 WeakPolarHBondContact O-CG2 3.5Å; Y670-Y674 HydrophobicContact CD2-CD2 4.33Å; Y670-Y674 AromaticContact CD2-CE2 3.99Å; Y670-Y674 HydrophobicContact CD2-CE2 3.99Å; Y670-Y674 HydrophobicContact CE2-CD2 4.26Å; Y670-Y674 AromaticContact CE2-CE2 3.48Å; Y670-Y674 HydrophobicContact CE2-CE2 3.48Å; Y670-Y674 VanDerWaalsContact CE2-CE2 3.48Å; Y670-Y674 WeakPolarHBondContact O-CD2 3.31Å; Y670-K688 WeakPolarHBondContact OH-CE 3.41Å; Y670-I692 HydrophobicContact CD1-CD1 3.79Å; Y670-I692 HydrophobicContact CD1-CG1 3.84Å; Y670-I692 HydrophobicContact CD1-CG2 4.48Å; Y670-I692 HydrophobicContact CD2-CD1 4.14Å; Y670-I692 HydrophobicContact CE1-CD1 3.73Å; Y670-I692 HydrophobicContact CE1-CG1 3.9Å; Y670-I692 HydrophobicContact CE2-CD1 4.11Å; Y670-I692 HydrophobicContact CG-CD1 3.98Å; Y670-I692 HydrophobicContact CG-CG1 4.4Å
671A91.4Very high82.3Confident5 Ų552.3 Ų52.34%0.04128%0.28CS..Hα-helixtrans-68.3-42.4170.700000111.8W667 K668 I673 Y674 E675 I692 I696 W719W667-A671 PolarHBondContact O-N 3.01Å; K668-A671 PolarHBondContact O-N 2.96Å; A671-I673 VanDerWaalsContact C-N 3.28Å; A671-I673 PolarHBondContact O-N 3.14Å; A671-Y674 PolarHBondContact O-N 2.82Å; A671-E675 PolarHBondContact O-N 2.65Å; A671-E675 VanDerWaalsContact O-N 3.14Å; A671-I692 HydrophobicContact CB-CG2 3.86Å; A671-I696 HydrophobicContact CB-CD1 3.69Å; A671-W719 HydrophobicContact CB-CH2 3.7Å; A671-W719 HydrophobicContact CB-CZ3 3.71Å
672L88.7Confident82Confident42 Ų4253.4 Ų53.422%0.2228%0.283CS..Hα-helixtrans-57.6-38.4-177.3-164.9103.5000112.6V632 L636 K668 A669 Y674 E675V632-L672 HydrophobicContact CB-CD2 4.31Å; V632-L672 HydrophobicContact CG1-CB 4.45Å; V632-L672 HydrophobicContact CG1-CD2 3.64Å; L636-L672 HydrophobicContact CD1-CD2 3.33Å; L636-L672 HydrophobicContact CD1-CG 3.88Å; K668-L672 PolarHBondContact O-N 3.5Å; K668-L672 VanDerWaalsContact O-N 3.1Å; A669-L672 PolarHBondContact O-N 2.89Å; L672-Y674 VanDerWaalsContact C-N 3.28Å; L672-Y674 PolarHBondContact O-N 3.22Å; L672-E675 PolarHBondContact O-N 3.13Å
673I86.7Confident81.9Confident0 Ų050.2 Ų50.20%027%0.267CS..Hα-helixtrans-69.6-24.2179-154.4165.7000113.1V632 L649 K650 L653 A669 Y670 A671 M677V632-I673 HydrophobicContact CG1-CB 4.05Å; V632-I673 HydrophobicContact CG1-CG1 4.37Å; L649-I673 HydrophobicContact CB-CD1 3.9Å; L649-I673 HydrophobicContact CD2-CD1 3.64Å; L649-I673 HydrophobicContact CG-CD1 3.59Å; K650-I673 HydrophobicContact CG-CD1 3.88Å; K650-I673 HydrophobicContact CG-CG1 4.08Å; K650-I673 HydrophobicContact CG-CG2 3.78Å; L653-I673 HydrophobicContact CD1-CB 4.3Å; L653-I673 HydrophobicContact CD1-CD1 3.95Å; L653-I673 HydrophobicContact CD1-CG2 3.99Å; A669-I673 PolarHBondContact O-N 2.83Å; Y670-I673 HydrophobicContact CD2-CG2 3.98Å; Y670-I673 HydrophobicContact CE2-CG2 4.48Å; Y670-I673 WeakPolarHBondContact O-CG2 3.5Å; A671-I673 VanDerWaalsContact C-N 3.28Å; A671-I673 PolarHBondContact O-N 3.14Å; I673-M677 HydrophobicContact CD1-CE 4.29Å; I673-M677 HydrophobicContact CG1-CE 3.61Å
674Y85.3Confident81.8Confident30 Ų3052.5 Ų52.512%0.11828%0.282CS..Hα-helixtrans-78.8-45.2173.6-83.7-102.2000110.6Y670 A671 L672 Y676 M677 Y685 K688 V689 I692Y670-Y674 HydrophobicContact CD2-CD2 4.33Å; Y670-Y674 AromaticContact CD2-CE2 3.99Å; Y670-Y674 HydrophobicContact CD2-CE2 3.99Å; Y670-Y674 HydrophobicContact CE2-CD2 4.26Å; Y670-Y674 AromaticContact CE2-CE2 3.48Å; Y670-Y674 HydrophobicContact CE2-CE2 3.48Å; Y670-Y674 VanDerWaalsContact CE2-CE2 3.48Å; Y670-Y674 WeakPolarHBondContact O-CD2 3.31Å; A671-Y674 PolarHBondContact O-N 2.82Å; L672-Y674 VanDerWaalsContact C-N 3.28Å; L672-Y674 PolarHBondContact O-N 3.22Å; Y674-Y676 PolarHBondContact O-N 3.04Å; Y674-M677 CarbonylContact O-C 3.6Å; Y674-M677 PolarHBondContact O-N 3Å; Y674-Y685 AromaticContact CD1-CD2 3.86Å; Y674-Y685 HydrophobicContact CD1-CD2 3.86Å; Y674-Y685 AromaticContact CD1-CE2 3.44Å; Y674-Y685 HydrophobicContact CD1-CE2 3.44Å; Y674-Y685 VanDerWaalsContact CD1-CE2 3.44Å; Y674-Y685 AromaticContact CD1-CZ 3.97Å; Y674-Y685 HydrophobicContact CE1-CD2 4.13Å; Y674-Y685 HydrophobicContact CE1-CE2 4.14Å; Y674-Y685 HydrophobicContact CG-CE2 4.36Å; Y674-Y685 PolarHBondContact O-OH 3.42Å; Y674-K688 HydrophobicContact CE1-CB 4.16Å; Y674-K688 HydrophobicContact CE1-CG 3.99Å; Y674-K688 WeakPolarHBondContact OH-CG 3.44Å; Y674-V689 HydrophobicContact CD1-CG2 3.59Å; Y674-V689 HydrophobicContact CE1-CG2 4.49Å; Y674-V689 HydrophobicContact CG-CG2 3.98Å; Y674-I692 HydrophobicContact CD2-CD1 3.69Å; Y674-I692 HydrophobicContact CE2-CD1 3.53Å; Y674-I692 HydrophobicContact CG-CD1 4.4Å
675E79.6Confident81.7Confident88 Ų8851.5 Ų51.541%0.41128%0.276SS..Hα-helixtrans-51.3-36.5-178.8-72.8178.2-172.500113.6A671 L672 K722A671-E675 PolarHBondContact O-N 2.65Å; A671-E675 VanDerWaalsContact O-N 3.14Å; L672-E675 PolarHBondContact O-N 3.13Å; E675-K722 WeakPolarHBondContact OE1-CE 3.28Å; E675-K722 IonicContact OE1-NZ 3.1Å; E675-K722 PolarHBondContact OE1-NZ 2.9Å; E675-K722 IonicContact OE2-NZ 3.91Å; E675-K722 PolarHBondContact OE2-NZ 2.8Å
676Y72.6Confident81.7Confident148 Ų14844.8 Ų44.858%0.5825%0.251SS*.THydrogen-bonded Turntrans-87.9-10-179.8-83.7-98.5000115.3L636 Y674 P678L636-Y676 HydrophobicContact CB-CD1 4.42Å; L636-Y676 HydrophobicContact CD1-CD1 4.4Å; L636-Y676 HydrophobicContact CD1-CD2 3.49Å; L636-Y676 VanDerWaalsContact CD1-CD2 3.49Å; L636-Y676 HydrophobicContact CD1-CE2 3.77Å; L636-Y676 HydrophobicContact CD1-CG 3.84Å; L636-Y676 HydrophobicContact CD2-CD1 4.08Å; L636-Y676 HydrophobicContact CD2-CD2 4.1Å; L636-Y676 HydrophobicContact CD2-CG 3.59Å; L636-Y676 HydrophobicContact CG-CD2 4.33Å; L636-Y676 HydrophobicContact CG-CG 4.18Å; Y674-Y676 PolarHBondContact O-N 3.04Å; Y676-P678 WeakPolarHBondContact O-CD 3.38Å
677M65.7Low81.7Confident30 Ų3047.9 Ų47.915%0.14827%0.265CS..  trans-122.568.5179.9-80.4-169.3-9500112.2R646 K650 I673 Y674 T679 Y685R646-M677 HydrophobicContact CB-CE 3.5Å; R646-M677 HydrophobicContact CB-SD 3.9Å; R646-M677 HydrophobicContact CG-CE 3.79Å; R646-M677 HydrophobicContact CG-SD 4.37Å; K650-M677 HydrophobicContact CD-CE 4.16Å; K650-M677 VanDerWaalsContact CE-CE 3.4Å; K650-M677 PolarHBondContact NZ-SD 3.26Å; K650-M677 VanDerWaalsContact NZ-SD 3.38Å; I673-M677 HydrophobicContact CD1-CE 4.29Å; I673-M677 HydrophobicContact CG1-CE 3.61Å; Y674-M677 CarbonylContact O-C 3.6Å; Y674-M677 PolarHBondContact O-N 3Å; M677-T679 VanDerWaalsContact C-N 3.3Å; M677-T679 PolarHBondContact O-N 3.29Å; M677-Y685 VanDerWaalsContact O-CE2 3.31Å; M677-Y685 WeakPolarHBondContact O-CE2 3.29Å
678P62.5Low81.5Confident93 Ų9351.1 Ų51.160%0.60428%0.28SS*.  trans-72.585.4170.930.2-32.5000109.6Y676 G680Y676-P678 WeakPolarHBondContact O-CD 3.38Å; P678-G680 PolarHBondContact O-N 2.83Å
679T55.8Low81.4Confident98 Ų9850.1 Ų50.160%0.60128%0.276SS*.SBendtrans-73.978.1169.647.60000109M677 G681M677-T679 VanDerWaalsContact C-N 3.3Å; M677-T679 PolarHBondContact O-N 3.29Å; T679-G681 PolarHBondContact O-N 3.44Å
680G60.9Low81.5Confident76 Ų7650.7 Ų50.778%0.78428%0.279SS*.THydrogen-bonded Turntrans61.2-4.5178.500000116P678 D682P678-G680 PolarHBondContact O-N 2.83Å; G680-D682 PolarHBondContact O-N 2.82Å
681G68.7Low81.5Confident4 Ų454.7 Ų54.74%0.04130%0.296CS..THydrogen-bonded Turntrans43.262.5-17600000112T679 W686 R733T679-G681 PolarHBondContact O-N 3.44Å; G681-W686 VanDerWaalsContact O-CD1 3.29Å; G681-W686 PolarHBondContact O-NE1 2.77Å; G681-R733 WeakPolarHBondContact O-CD 3.49Å; G681-R733 PolarHBondContact O-NE 3.28Å
682D83.3Confident81.6Confident77 Ų7754.5 Ų54.541%0.41230%0.295SS..  trans-68.7179.8173.372.9-26.1000111.4G680 T684 Y685 W686G680-D682 PolarHBondContact O-N 2.82Å; D682-T684 VanDerWaalsContact C-N 3.27Å; D682-T684 VanDerWaalsContact CG-OG1 3.24Å; D682-T684 PolarHBondContact O-N 3.25Å; D682-T684 PolarHBondContact OD1-OG1 3.33Å; D682-T684 VanDerWaalsContact OD1-OG1 3.08Å; D682-T684 PolarHBondContact OD2-OG1 2.86Å; D682-Y685 PolarHBondContact O-N 2.99Å; D682-Y685 WeakPolarHBondContact OD1-CB 3.34Å; D682-Y685 PolarHBondContact OD1-N 3.47Å; D682-W686 PolarHBondContact O-N 3.43Å
683V87.2Confident81.8Confident43 Ų4352.7 Ų52.726%0.26129%0.285SS..Hα-helixtrans-58.7-42.2178.4176.20000110.6Y685 W686 E687 L730 R733 L734V683-Y685 PolarHBondContact O-N 3.42Å; V683-W686 PolarHBondContact O-N 3.48Å; V683-E687 HydrophobicContact CG1-CG 4.3Å; V683-E687 VanDerWaalsContact O-CG 3.29Å; V683-E687 WeakPolarHBondContact O-CG 3.45Å; V683-E687 PolarHBondContact O-N 2.91Å; V683-L730 HydrophobicContact CG1-CD1 3.83Å; V683-R733 HydrophobicContact CG2-CB 4.02Å; V683-L734 HydrophobicContact CG1-CD2 3.97Å
684T87.5Confident82.2Confident89 Ų8956.2 Ų56.255%0.54630%0.302SS..Hα-helixtrans-66.3-39.8-176.472.60000112.4D682 E687 K688D682-T684 VanDerWaalsContact C-N 3.27Å; D682-T684 VanDerWaalsContact CG-OG1 3.24Å; D682-T684 PolarHBondContact O-N 3.25Å; D682-T684 PolarHBondContact OD1-OG1 3.33Å; D682-T684 VanDerWaalsContact OD1-OG1 3.08Å; D682-T684 PolarHBondContact OD2-OG1 2.86Å; T684-E687 PolarHBondContact O-N 3.41Å; T684-K688 PolarHBondContact O-N 3.01Å; T684-K688 VanDerWaalsContact O-N 3.1Å
685Y87.9Confident82.6Confident18 Ų1858 Ų587%0.07131%0.308CS..Hα-helixtrans-58.9-51.4173.5174.3-88.2000111.5Y674 M677 D682 V683 E687 K688 V689Y674-Y685 AromaticContact CD1-CD2 3.86Å; Y674-Y685 HydrophobicContact CD1-CD2 3.86Å; Y674-Y685 AromaticContact CD1-CE2 3.44Å; Y674-Y685 HydrophobicContact CD1-CE2 3.44Å; Y674-Y685 VanDerWaalsContact CD1-CE2 3.44Å; Y674-Y685 AromaticContact CD1-CZ 3.97Å; Y674-Y685 HydrophobicContact CE1-CD2 4.13Å; Y674-Y685 HydrophobicContact CE1-CE2 4.14Å; Y674-Y685 HydrophobicContact CG-CE2 4.36Å; Y674-Y685 PolarHBondContact O-OH 3.42Å; M677-Y685 VanDerWaalsContact O-CE2 3.31Å; M677-Y685 WeakPolarHBondContact O-CE2 3.29Å; D682-Y685 PolarHBondContact O-N 2.99Å; D682-Y685 WeakPolarHBondContact OD1-CB 3.34Å; D682-Y685 PolarHBondContact OD1-N 3.47Å; V683-Y685 PolarHBondContact O-N 3.42Å; Y685-E687 PolarHBondContact O-N 3.42Å; Y685-K688 PolarHBondContact O-N 3.36Å; Y685-K688 VanDerWaalsContact O-N 3.12Å; Y685-V689 HydrophobicContact CD1-CG2 4.09Å; Y685-V689 HydrophobicContact CE1-CG2 3.63Å; Y685-V689 HydrophobicContact CE2-CG2 4.4Å; Y685-V689 WeakPolarHBondContact O-CG2 3.09Å; Y685-V689 PolarHBondContact O-N 3.41Å
686W90.2Very high83.2Confident37 Ų3753.8 Ų53.814%0.1429%0.289CS..Hα-helixtrans-70.8-30.3-177.4-76.2108.2000113.1G681 D682 V683 K688 V689 L690 A726 H729 L730 R733G681-W686 VanDerWaalsContact O-CD1 3.29Å; G681-W686 PolarHBondContact O-NE1 2.77Å; D682-W686 PolarHBondContact O-N 3.43Å; V683-W686 PolarHBondContact O-N 3.48Å; W686-K688 VanDerWaalsContact C-N 3.28Å; W686-K688 PolarHBondContact O-N 3.22Å; W686-V689 HydrophobicContact CE3-CB 4.1Å; W686-V689 HydrophobicContact CE3-CG1 4.08Å; W686-V689 HydrophobicContact CE3-CG2 4.48Å; W686-V689 HydrophobicContact CZ3-CB 4.49Å; W686-V689 HydrophobicContact CZ3-CG1 4.02Å; W686-L690 WeakPolarHBondContact O-CB 3.24Å; W686-L690 PolarHBondContact O-N 3.46Å; W686-A726 HydrophobicContact CE3-CB 4.19Å; W686-A726 HydrophobicContact CZ3-CB 4.26Å; W686-H729 HydrophobicContact CD2-CB 3.43Å; W686-H729 VanDerWaalsContact CD2-CB 3.43Å; W686-H729 AromaticContact CE2-CG 3.75Å; W686-H729 HydrophobicContact CE3-CB 3.68Å; W686-H729 HydrophobicContact CG-CB 4.01Å; W686-H729 HydrophobicContact CH2-CB 3.83Å; W686-H729 AromaticContact CH2-CD2 3.35Å; W686-H729 WeakPolarHBondContact CH2-CD2 3.44Å; W686-H729 AromaticContact CH2-CG 3.54Å; W686-H729 AromaticContact CH2-NE2 3.99Å; W686-H729 HydrophobicContact CZ2-CB 3.6Å; W686-H729 AromaticContact CZ2-CD2 3.7Å; W686-H729 AromaticContact CZ2-CG 3.41Å; W686-H729 VanDerWaalsContact CZ2-CG 3.41Å; W686-H729 AromaticContact CZ2-ND1 3.77Å; W686-H729 HydrophobicContact CZ3-CB 3.87Å; W686-H729 AromaticContact CZ3-CD2 3.81Å; W686-L730 HydrophobicContact CB-CB 4.11Å; W686-L730 HydrophobicContact CB-CD1 4.06Å; W686-R733 VanDerWaalsContact CD1-CD 3.49Å
687E90.7Very high84.2Confident68 Ų6846.9 Ų46.932%0.31826%0.262SS..Hα-helixtrans-60.4-40.5168.6-75.9176.9161.300111.7V683 T684 Y685 F691 L730 R740V683-E687 HydrophobicContact CG1-CG 4.3Å; V683-E687 VanDerWaalsContact O-CG 3.29Å; V683-E687 WeakPolarHBondContact O-CG 3.45Å; V683-E687 PolarHBondContact O-N 2.91Å; T684-E687 PolarHBondContact O-N 3.41Å; Y685-E687 PolarHBondContact O-N 3.42Å; E687-F691 WeakPolarHBondContact O-CB 3.43Å; E687-F691 PolarHBondContact O-N 2.77Å; E687-L730 HydrophobicContact CG-CD1 3.89Å; E687-L730 HydrophobicContact CG-CD2 4.11Å; E687-R740 IonicContact OE1-CZ 2.69Å; E687-R740 IonicContact OE1-NH1 3.77Å; E687-R740 PolarHBondContact OE1-NH1 2.87Å; E687-R740 IonicContact OE1-NH2 2.87Å; E687-R740 PolarHBondContact OE1-NH2 3.01Å
688K89.8Confident85.3Confident76 Ų7648.3 Ų48.333%0.3327%0.273SS..Hα-helixtrans-72.2-42.8178.9-165.461.5174.1-174.60112.4Y670 Y674 T684 Y685 W686 L690 F691 I692Y670-K688 WeakPolarHBondContact OH-CE 3.41Å; Y674-K688 HydrophobicContact CE1-CB 4.16Å; Y674-K688 HydrophobicContact CE1-CG 3.99Å; Y674-K688 WeakPolarHBondContact OH-CG 3.44Å; T684-K688 PolarHBondContact O-N 3.01Å; T684-K688 VanDerWaalsContact O-N 3.1Å; Y685-K688 PolarHBondContact O-N 3.36Å; Y685-K688 VanDerWaalsContact O-N 3.12Å; W686-K688 VanDerWaalsContact C-N 3.28Å; W686-K688 PolarHBondContact O-N 3.22Å; K688-L690 VanDerWaalsContact C-N 3.31Å; K688-L690 PolarHBondContact O-N 2.99Å; K688-F691 HydrophobicContact CD-CD1 4.47Å; K688-F691 PolarHBondContact O-N 3.24Å; K688-I692 HydrophobicContact CG-CD1 4.21Å; K688-I692 VanDerWaalsContact O-CG1 3.28Å; K688-I692 WeakPolarHBondContact O-CG1 3.41Å; K688-I692 PolarHBondContact O-N 2.99Å
689V90.9Very high86.6Confident17 Ų1744.7 Ų44.710%0.10325%0.248CC..Hα-helixtrans-58.9-46.2173.1173.60000110.3Y674 Y685 W686 F691 I692 V693 A726Y674-V689 HydrophobicContact CD1-CG2 3.59Å; Y674-V689 HydrophobicContact CE1-CG2 4.49Å; Y674-V689 HydrophobicContact CG-CG2 3.98Å; Y685-V689 HydrophobicContact CD1-CG2 4.09Å; Y685-V689 HydrophobicContact CE1-CG2 3.63Å; Y685-V689 HydrophobicContact CE2-CG2 4.4Å; Y685-V689 WeakPolarHBondContact O-CG2 3.09Å; Y685-V689 PolarHBondContact O-N 3.41Å; W686-V689 HydrophobicContact CE3-CB 4.1Å; W686-V689 HydrophobicContact CE3-CG1 4.08Å; W686-V689 HydrophobicContact CE3-CG2 4.48Å; W686-V689 HydrophobicContact CZ3-CB 4.49Å; W686-V689 HydrophobicContact CZ3-CG1 4.02Å; V689-F691 PolarHBondContact O-N 2.88Å; V689-I692 PolarHBondContact O-N 3.4Å; V689-V693 HydrophobicContact CG1-CG2 4.22Å; V689-V693 WeakPolarHBondContact O-CG2 3.35Å; V689-V693 PolarHBondContact O-N 3.38Å; V689-A726 HydrophobicContact CG1-CB 4.06Å
690L92.5Very high88.1Confident18 Ų1840.5 Ų40.59%0.09422%0.222CC..Hα-helixtrans-55.3-51.2177.1-179.969.6000111W686 K688 I692 V693 E694 L723 A726 R727 L730 L744W686-L690 WeakPolarHBondContact O-CB 3.24Å; W686-L690 PolarHBondContact O-N 3.46Å; K688-L690 VanDerWaalsContact C-N 3.31Å; K688-L690 PolarHBondContact O-N 2.99Å; L690-I692 PolarHBondContact O-N 2.91Å; L690-V693 PolarHBondContact O-N 3.43Å; L690-E694 WeakPolarHBondContact O-CB 3.5Å; L690-E694 PolarHBondContact O-N 3.27Å; L690-L723 HydrophobicContact CD1-CD1 3.54Å; L690-A726 HydrophobicContact CD1-CB 4.31Å; L690-R727 HydrophobicContact CD1-CB 4.43Å; L690-R727 HydrophobicContact CD1-CG 3.28Å; L690-R727 HydrophobicContact CD2-CG 4.5Å; L690-L730 HydrophobicContact CD2-CD2 3.85Å; L690-L744 HydrophobicContact CD2-CD2 3.9Å
691F93.3Very high89.3Confident92 Ų9240 Ų4040%0.40420%0.197SC..Hα-helixtrans-57.4-45.8177.8171-100.3000112.5W667 E687 K688 V689 R695W667-F691 AromaticContact CH2-CE1 3.79Å; W667-F691 HydrophobicContact CH2-CE1 3.79Å; W667-F691 HydrophobicContact CH2-CZ 4.16Å; W667-F691 AromaticContact CZ3-CE1 3.98Å; W667-F691 HydrophobicContact CZ3-CE1 3.98Å; E687-F691 WeakPolarHBondContact O-CB 3.43Å; E687-F691 PolarHBondContact O-N 2.77Å; K688-F691 HydrophobicContact CD-CD1 4.47Å; K688-F691 PolarHBondContact O-N 3.24Å; V689-F691 PolarHBondContact O-N 2.88Å; F691-R695 HydrophobicContact CE1-CG 4.45Å; F691-R695 HydrophobicContact CE2-CG 4.18Å; F691-R695 HydrophobicContact CZ-CG 4.13Å; F691-R695 VanDerWaalsContact O-CG 3.3Å; F691-R695 WeakPolarHBondContact O-CG 3.19Å; F691-R695 PolarHBondContact O-N 3.39Å
692I93.6Very high89.9Confident1 Ų145.1 Ų45.11%0.00522%0.222CC..Hα-helixtrans-62.9-49.9-179.8-68.6165.5000110.6W667 Y670 A671 Y674 K688 V689 L690 E694 R695 I696W667-I692 HydrophobicContact CE3-CG2 4.2Å; W667-I692 HydrophobicContact CZ3-CG1 4.3Å; Y670-I692 HydrophobicContact CD1-CD1 3.79Å; Y670-I692 HydrophobicContact CD1-CG1 3.84Å; Y670-I692 HydrophobicContact CD1-CG2 4.48Å; Y670-I692 HydrophobicContact CD2-CD1 4.14Å; Y670-I692 HydrophobicContact CE1-CD1 3.73Å; Y670-I692 HydrophobicContact CE1-CG1 3.9Å; Y670-I692 HydrophobicContact CE2-CD1 4.11Å; Y670-I692 HydrophobicContact CG-CD1 3.98Å; Y670-I692 HydrophobicContact CG-CG1 4.4Å; A671-I692 HydrophobicContact CB-CG2 3.86Å; Y674-I692 HydrophobicContact CD2-CD1 3.69Å; Y674-I692 HydrophobicContact CE2-CD1 3.53Å; Y674-I692 HydrophobicContact CG-CD1 4.4Å; K688-I692 HydrophobicContact CG-CD1 4.21Å; K688-I692 VanDerWaalsContact O-CG1 3.28Å; K688-I692 WeakPolarHBondContact O-CG1 3.41Å; K688-I692 PolarHBondContact O-N 2.99Å; V689-I692 PolarHBondContact O-N 3.4Å; L690-I692 PolarHBondContact O-N 2.91Å; I692-E694 PolarHBondContact O-N 2.89Å; I692-R695 WeakPolarHBondContact O-CB 3.46Å; I692-R695 PolarHBondContact O-N 2.92Å; I692-I696 HydrophobicContact CG2-CD1 4.32Å; I692-I696 WeakPolarHBondContact O-CG1 3.47Å; I692-I696 PolarHBondContact O-N 3.05Å; I692-I696 VanDerWaalsContact O-N 3.07Å
693V93.9Very high89.8Confident4 Ų445.5 Ų45.52%0.02423%0.225CC..Hα-helixtrans-68.7-36.7-177179.50000111.4V689 L690 R695 I696 V697 W719 K722 L723V689-V693 HydrophobicContact CG1-CG2 4.22Å; V689-V693 WeakPolarHBondContact O-CG2 3.35Å; V689-V693 PolarHBondContact O-N 3.38Å; L690-V693 PolarHBondContact O-N 3.43Å; V693-R695 VanDerWaalsContact C-N 3.3Å; V693-R695 PolarHBondContact O-N 3.14Å; V693-I696 WeakPolarHBondContact O-CB 3.39Å; V693-I696 PolarHBondContact O-N 3.17Å; V693-I696 VanDerWaalsContact O-N 3.16Å; V693-V697 WeakPolarHBondContact O-CG2 3.42Å; V693-V697 PolarHBondContact O-N 3.47Å; V693-W719 HydrophobicContact CG1-CE3 4.13Å; V693-W719 WeakPolarHBondContact CG1-O 3.4Å; V693-W719 HydrophobicContact CG2-CZ3 4.4Å; V693-K722 HydrophobicContact CG1-CB 4.2Å; V693-L723 HydrophobicContact CB-CD1 4.23Å; V693-L723 HydrophobicContact CG1-CB 3.7Å; V693-L723 HydrophobicContact CG1-CD1 4.11Å; V693-L723 HydrophobicContact CG1-CG 4.4Å
694E94Very high89.2Confident73 Ų7351.5 Ų51.534%0.34125%0.25SC..Hα-helixtrans-60.9-40.3173.5-174.8164.9-131.400111.5L690 I692 T698 L723 R727L690-E694 WeakPolarHBondContact O-CB 3.5Å; L690-E694 PolarHBondContact O-N 3.27Å; I692-E694 PolarHBondContact O-N 2.89Å; E694-T698 VanDerWaalsContact O-CB 3.29Å; E694-T698 WeakPolarHBondContact O-CB 3.2Å; E694-T698 PolarHBondContact O-N 3.31Å; E694-T698 PolarHBondContact O-OG1 3.13Å; E694-L723 HydrophobicContact CB-CD1 3.99Å; E694-L723 HydrophobicContact CB-CD2 4.3Å; E694-R727 IonicContact OE1-NH2 3.16Å; E694-R727 PolarHBondContact OE1-NH2 2.94Å
695R93.9Very high89Confident67 Ų6755.7 Ų55.725%0.25326%0.255SS..Hα-helixtrans-63.9-40.4173-71.5-61.5-56.31681.9112.3P661 W667 F691 I692 V693 T698 V699P661-R695 PolarHBondContact O-NH2 2.89Å; W667-R695 HydrophobicContact CD2-CB 3.91Å; W667-R695 HydrophobicContact CE3-CB 3.97Å; W667-R695 HydrophobicContact CH2-CB 4.1Å; W667-R695 HydrophobicContact CH2-CG 3.85Å; W667-R695 HydrophobicContact CZ2-CB 4.02Å; W667-R695 HydrophobicContact CZ2-CG 3.97Å; W667-R695 HydrophobicContact CZ3-CB 4.07Å; W667-R695 HydrophobicContact CZ3-CG 4.15Å; F691-R695 HydrophobicContact CE1-CG 4.45Å; F691-R695 HydrophobicContact CE2-CG 4.18Å; F691-R695 HydrophobicContact CZ-CG 4.13Å; F691-R695 VanDerWaalsContact O-CG 3.3Å; F691-R695 WeakPolarHBondContact O-CG 3.19Å; F691-R695 PolarHBondContact O-N 3.39Å; I692-R695 WeakPolarHBondContact O-CB 3.46Å; I692-R695 PolarHBondContact O-N 2.92Å; V693-R695 VanDerWaalsContact C-N 3.3Å; V693-R695 PolarHBondContact O-N 3.14Å; R695-T698 PolarHBondContact O-N 3.01Å; R695-V699 WeakPolarHBondContact O-CB 3.36Å; R695-V699 WeakPolarHBondContact O-CG2 3.41Å; R695-V699 PolarHBondContact O-N 3.36Å
696I93.5Very high88.9Confident0 Ų055.6 Ų55.60%026%0.255CS..Hα-helixtrans-59.1-54.3175.8-66.7171.3000110.9L664 W667 K668 A671 I692 V693 T698 V699 E700 W719L664-I696 HydrophobicContact CD1-CB 4.4Å; L664-I696 HydrophobicContact CD1-CG2 3.77Å; W667-I696 HydrophobicContact CB-CD1 4.31Å; W667-I696 HydrophobicContact CB-CG1 3.53Å; K668-I696 HydrophobicContact CG-CD1 4.4Å; K668-I696 HydrophobicContact CG-CG2 4.35Å; A671-I696 HydrophobicContact CB-CD1 3.69Å; I692-I696 HydrophobicContact CG2-CD1 4.32Å; I692-I696 WeakPolarHBondContact O-CG1 3.47Å; I692-I696 PolarHBondContact O-N 3.05Å; I692-I696 VanDerWaalsContact O-N 3.07Å; V693-I696 WeakPolarHBondContact O-CB 3.39Å; V693-I696 PolarHBondContact O-N 3.17Å; V693-I696 VanDerWaalsContact O-N 3.16Å; I696-T698 VanDerWaalsContact C-N 3.29Å; I696-T698 PolarHBondContact O-N 3.12Å; I696-V699 PolarHBondContact O-N 3.23Å; I696-E700 PolarHBondContact O-N 3.04Å; I696-W719 HydrophobicContact CB-CD2 4.49Å; I696-W719 HydrophobicContact CD1-CD2 4.25Å; I696-W719 HydrophobicContact CD1-CE3 3.8Å; I696-W719 HydrophobicContact CD1-CH2 3.72Å; I696-W719 HydrophobicContact CD1-CZ2 4.18Å; I696-W719 HydrophobicContact CD1-CZ3 3.51Å; I696-W719 HydrophobicContact CG2-CB 4.1Å; I696-W719 HydrophobicContact CG2-CD2 3.57Å; I696-W719 HydrophobicContact CG2-CE3 4.05Å; I696-W719 HydrophobicContact CG2-CG 3.56Å
697V91.8Very high88.6Confident4 Ų455.5 Ų55.52%0.02426%0.256CS..Hα-helixtrans-60.3-42-179.8173.70000110.7V693 R701 W719 L723 L751V693-V697 WeakPolarHBondContact O-CG2 3.42Å; V693-V697 PolarHBondContact O-N 3.47Å; V697-R701 HydrophobicContact CG1-CG 4.46Å; V697-R701 WeakPolarHBondContact O-CB 3.18Å; V697-R701 WeakPolarHBondContact O-CG 3.3Å; V697-R701 PolarHBondContact O-N 2.97Å; V697-W719 HydrophobicContact CG2-CB 3.73Å; V697-L723 HydrophobicContact CB-CD2 4.12Å; V697-L723 HydrophobicContact CG1-CD2 4.42Å; V697-L723 HydrophobicContact CG2-CB 4.41Å; V697-L723 HydrophobicContact CG2-CD2 3.91Å; V697-L751 HydrophobicContact CG1-CD1 3.95Å
698T90.2Very high88.3Confident60 Ų6057.7 Ų57.737%0.36827%0.269SS..Hα-helixtrans-59.8-50176.5-56.80000111.3E694 R695 I696 R701 L702E694-T698 VanDerWaalsContact O-CB 3.29Å; E694-T698 WeakPolarHBondContact O-CB 3.2Å; E694-T698 PolarHBondContact O-N 3.31Å; E694-T698 PolarHBondContact O-OG1 3.13Å; R695-T698 PolarHBondContact O-N 3.01Å; I696-T698 VanDerWaalsContact C-N 3.29Å; I696-T698 PolarHBondContact O-N 3.12Å; T698-R701 PolarHBondContact O-N 2.97Å; T698-L702 WeakPolarHBondContact O-CG 3.39Å; T698-L702 PolarHBondContact O-N 3.13Å
699V88.5Confident88Confident16 Ų1658 Ų5810%0.09728%0.278CS..Hα-helixtrans-68.2-37.5-177.4174.60000111.7L664 R695 I696 R701 L702L664-V699 HydrophobicContact CB-CG1 3.92Å; L664-V699 HydrophobicContact CD1-CB 4.4Å; L664-V699 HydrophobicContact CD1-CG1 4.34Å; R695-V699 WeakPolarHBondContact O-CB 3.36Å; R695-V699 WeakPolarHBondContact O-CG2 3.41Å; R695-V699 PolarHBondContact O-N 3.36Å; I696-V699 PolarHBondContact O-N 3.23Å; V699-R701 VanDerWaalsContact C-N 3.31Å; V699-R701 PolarHBondContact O-N 2.88Å; V699-L702 WeakPolarHBondContact O-CB 3.3Å; V699-L702 PolarHBondContact O-N 3.04Å
700E87.6Confident87.8Confident11 Ų1159.6 Ų59.65%0.05128%0.284CS..Hα-helixtrans-60.8-42.3172.6-82.9-175.2178.300111.9L664 K668 I696 L702 N703 V716L664-E700 HydrophobicContact CD1-CG 3.66Å; L664-E700 HydrophobicContact CD2-CG 3.39Å; L664-E700 HydrophobicContact CG-CG 4.16Å; K668-E700 WeakPolarHBondContact CE-OE1 3.47Å; K668-E700 IonicContact NZ-OE1 2.83Å; K668-E700 PolarHBondContact NZ-OE1 3.2Å; I696-E700 PolarHBondContact O-N 3.04Å; E700-L702 VanDerWaalsContact C-N 3.32Å; E700-L702 PolarHBondContact O-N 2.67Å; E700-N703 WeakPolarHBondContact O-CB 3.49Å; E700-N703 PolarHBondContact O-N 2.86Å; E700-V716 HydrophobicContact CB-CG2 3.98Å; E700-V716 WeakPolarHBondContact OE2-CA 3.27Å; E700-V716 PolarHBondContact OE2-N 3.34Å
701R86Confident87.5Confident65 Ų6562.2 Ų62.225%0.24530%0.304CS..Hα-helixtrans-75.6-16.5-178.5-70.3177.655.5-163.4-15.1114.2V697 T698 V699 N703 V716 E754V697-R701 HydrophobicContact CG1-CG 4.46Å; V697-R701 WeakPolarHBondContact O-CB 3.18Å; V697-R701 WeakPolarHBondContact O-CG 3.3Å; V697-R701 PolarHBondContact O-N 2.97Å; T698-R701 PolarHBondContact O-N 2.97Å; V699-R701 VanDerWaalsContact C-N 3.31Å; V699-R701 PolarHBondContact O-N 2.88Å; R701-N703 CarbonylContact O-C 3.54Å; R701-N703 PolarHBondContact O-N 2.85Å; R701-V716 HydrophobicContact CG-CG1 4.45Å; R701-E754 IonicContact CZ-OE1 2.76Å; R701-E754 IonicContact CZ-OE2 3.13Å; R701-E754 IonicContact NH1-OE2 2.62Å; R701-E754 PolarHBondContact NH1-OE2 2.85Å; R701-E754 IonicContact NH2-OE1 2.75Å; R701-E754 PolarHBondContact NH2-OE1 2.84Å; R701-E754 IonicContact NH2-OE2 2.75Å; R701-E754 PolarHBondContact NH2-OE2 3.45Å
702L83Confident87.2Confident111 Ų11159.5 Ų59.558%0.58130%0.295SS*.THydrogen-bonded Turntrans-60.1-24.8170-73.9175.4000112T698 V699 E700 E704T698-L702 WeakPolarHBondContact O-CG 3.39Å; T698-L702 PolarHBondContact O-N 3.13Å; V699-L702 WeakPolarHBondContact O-CB 3.3Å; V699-L702 PolarHBondContact O-N 3.04Å; E700-L702 VanDerWaalsContact C-N 3.32Å; E700-L702 PolarHBondContact O-N 2.67Å; L702-E704 PolarHBondContact O-N 2.94Å; L702-E704 VanDerWaalsContact O-N 3.13Å
703N79.7Confident87.1Confident86 Ų8659.8 Ų59.846%0.4630%0.297SS..SBendtrans-75.195.8165.4-179.65000108.7E700 R701 R705 W706E700-N703 WeakPolarHBondContact O-CB 3.49Å; E700-N703 PolarHBondContact O-N 2.86Å; R701-N703 CarbonylContact O-C 3.54Å; R701-N703 PolarHBondContact O-N 2.85Å; N703-R705 PolarHBondContact O-N 2.95Å; N703-R705 PolarHBondContact OD1-N 3.02Å; N703-W706 WeakPolarHBondContact O-CB 3.43Å; N703-W706 PolarHBondContact O-N 3.39Å
704E76Confident86.9Confident168 Ų16861.1 Ų61.179%0.78530%0.303SS*.THydrogen-bonded Turntrans-52.5-17.6-178.7-66.3-176169.800114L702 H707L702-E704 PolarHBondContact O-N 2.94Å; L702-E704 VanDerWaalsContact O-N 3.13Å; E704-H707 PolarHBondContact O-CE1 3.45Å; E704-H707 PolarHBondContact O-ND1 2.87Å
705R83.3Confident86.7Confident177 Ų17760.8 Ų60.867%0.66830%0.301SS*.THydrogen-bonded Turntrans-101.113-179.4-64.6-175.2-176-173.31.2114.5N703 H707 L708N703-R705 PolarHBondContact O-N 2.95Å; N703-R705 PolarHBondContact OD1-N 3.02Å; R705-H707 PolarHBondContact O-N 2.89Å; R705-L708 HydrophobicContact CB-CD1 3.73Å; R705-L708 HydrophobicContact CB-CG 4.17Å; R705-L708 HydrophobicContact CG-CD1 3.76Å; R705-L708 WeakPolarHBondContact O-CB 3.45Å; R705-L708 PolarHBondContact O-N 3.27Å
706W85.3Confident86.6Confident17 Ų1757.6 Ų57.66%0.06429%0.289CS..G310 helixtrans-55.3-27.2-179.968.4-98.1000113.3N703 L708 T712 V713 V716 V755 Q758 I759N703-W706 WeakPolarHBondContact O-CB 3.43Å; N703-W706 PolarHBondContact O-N 3.39Å; W706-L708 VanDerWaalsContact C-N 3.32Å; W706-L708 PolarHBondContact O-N 2.67Å; W706-T712 VanDerWaalsContact O-CB 3.31Å; W706-T712 WeakPolarHBondContact O-CB 3.49Å; W706-T712 PolarHBondContact O-OG1 2.72Å; W706-V713 HydrophobicContact CE3-CG2 4.43Å; W706-V713 HydrophobicContact CZ3-CG2 4.43Å; W706-V716 HydrophobicContact CB-CG2 4.27Å; W706-V716 HydrophobicContact CD2-CB 4.47Å; W706-V716 HydrophobicContact CD2-CG1 4.36Å; W706-V716 HydrophobicContact CD2-CG2 3.94Å; W706-V716 HydrophobicContact CE3-CB 3.79Å; W706-V716 HydrophobicContact CE3-CG1 3.88Å; W706-V716 HydrophobicContact CE3-CG2 3.65Å; W706-V716 HydrophobicContact CG-CG2 4.22Å; W706-V716 HydrophobicContact CH2-CG1 4.03Å; W706-V716 HydrophobicContact CZ2-CG1 4.48Å; W706-V716 HydrophobicContact CZ3-CB 3.95Å; W706-V716 HydrophobicContact CZ3-CG1 3.71Å; W706-V716 HydrophobicContact CZ3-CG2 4.31Å; W706-V755 HydrophobicContact CH2-CG1 4.06Å; W706-Q758 HydrophobicContact CH2-CB 4.23Å; W706-Q758 HydrophobicContact CH2-CG 4.39Å; W706-Q758 HydrophobicContact CZ2-CB 4.05Å; W706-Q758 HydrophobicContact CZ2-CG 3.98Å; W706-I759 HydrophobicContact CH2-CD1 4.41Å; W706-I759 HydrophobicContact CH2-CG1 4.09Å; W706-I759 HydrophobicContact CZ3-CD1 4.26Å; W706-I759 HydrophobicContact CZ3-CG1 4.05Å
707H83.9Confident86.6Confident35 Ų3557.6 Ų57.616%0.16229%0.289CS..G310 helixtrans-82.2-3.2-179.658.9-95.3000114.5E704 R705 Q758 T762E704-H707 PolarHBondContact O-CE1 3.45Å; E704-H707 PolarHBondContact O-ND1 2.87Å; R705-H707 PolarHBondContact O-N 2.89Å; H707-Q758 HydrophobicContact CB-CG 4.04Å; H707-Q758 PolarHBondContact CE1-NE2 3.14Å; H707-T762 HydrophobicContact CB-CG2 4.4Å; H707-T762 WeakPolarHBondContact CD2-CG2 3.16Å
708L83.6Confident86.7Confident114 Ų11463 Ų6360%0.59731%0.309SS*.G310 helixtrans-90.9-24-177.3-60.8-176.3000113.7R705 W706R705-L708 HydrophobicContact CB-CD1 3.73Å; R705-L708 HydrophobicContact CB-CG 4.17Å; R705-L708 HydrophobicContact CG-CD1 3.76Å; R705-L708 WeakPolarHBondContact O-CB 3.45Å; R705-L708 PolarHBondContact O-N 3.27Å; W706-L708 VanDerWaalsContact C-N 3.32Å; W706-L708 PolarHBondContact O-N 2.67Å
709T84.8Confident86.9Confident82 Ų8261.1 Ų61.150%0.50330%0.295SS..SBendtrans-112.3131.3-178.9-15.50000108.9S711 T712 V713T709-S711 VanDerWaalsContact C-N 3.32Å; T709-S711 PolarHBondContact O-N 2.88Å; T709-T712 VanDerWaalsContact CB-OG1 3.29Å; T709-T712 WeakPolarHBondContact CB-OG1 3.44Å; T709-T712 PolarHBondContact O-N 2.73Å; T709-T712 VanDerWaalsContact O-N 3.11Å; T709-T712 PolarHBondContact O-OG1 2.7Å; T709-T712 PolarHBondContact OG1-OG1 3.33Å; T709-V713 WeakPolarHBondContact O-CG2 3.37Å; T709-V713 PolarHBondContact O-N 2.76Å
710E85.5Confident87.1Confident50 Ų5060.4 Ų60.423%0.23429%0.291CS..Hα-helixtrans-61.1-41.2-176.4-172.8155.7-146.100112.9T712 V713 E714 K769 T772E710-T712 VanDerWaalsContact C-N 3.3Å; E710-T712 PolarHBondContact O-N 3.17Å; E710-V713 WeakPolarHBondContact O-CB 3.46Å; E710-V713 PolarHBondContact O-N 3.34Å; E710-V713 VanDerWaalsContact O-N 3.13Å; E710-E714 WeakPolarHBondContact O-CG 3.49Å; E710-E714 PolarHBondContact O-N 3.1Å; E710-K769 VanDerWaalsContact CD-CD 3.47Å; E710-K769 WeakPolarHBondContact OE1-CB 3.2Å; E710-K769 WeakPolarHBondContact OE1-CD 3.36Å; E710-K769 WeakPolarHBondContact OE1-CG 3.38Å; E710-K769 PolarHBondContact OE1-N 3.08Å; E710-K769 WeakPolarHBondContact OE2-CD 3.48Å; E710-K769 WeakPolarHBondContact OE2-CE 3.22Å; E710-K769 WeakPolarHBondContact OE2-CG 3.34Å; E710-K769 IonicContact OE2-NZ 2.67Å; E710-K769 PolarHBondContact OE2-NZ 3.47Å; E710-T772 PolarHBondContact OE1-OG1 2.74Å
711S86.9Confident87.4Confident74 Ų7460.4 Ų60.452%0.51729%0.293SS..Hα-helixtrans-58.7-39175.7173.20000112.8T709 E715T709-S711 VanDerWaalsContact C-N 3.32Å; T709-S711 PolarHBondContact O-N 2.88Å; S711-E715 WeakPolarHBondContact O-CG 3.43Å; S711-E715 PolarHBondContact O-N 3.2Å; S711-E715 VanDerWaalsContact O-N 3.15Å
712T87.2Confident87.7Confident34 Ų3460.4 Ų60.421%0.20929%0.294CS..Hα-helixtrans-75-31.7178.147.10000111.9W706 T709 E710 E715 V716W706-T712 VanDerWaalsContact O-CB 3.31Å; W706-T712 WeakPolarHBondContact O-CB 3.49Å; W706-T712 PolarHBondContact O-OG1 2.72Å; T709-T712 VanDerWaalsContact CB-OG1 3.29Å; T709-T712 WeakPolarHBondContact CB-OG1 3.44Å; T709-T712 PolarHBondContact O-N 2.73Å; T709-T712 VanDerWaalsContact O-N 3.11Å; T709-T712 PolarHBondContact O-OG1 2.7Å; T709-T712 PolarHBondContact OG1-OG1 3.33Å; E710-T712 VanDerWaalsContact C-N 3.3Å; E710-T712 PolarHBondContact O-N 3.17Å; T712-E715 PolarHBondContact O-N 3.12Å; T712-V716 WeakPolarHBondContact O-CG2 3.46Å; T712-V716 PolarHBondContact O-N 2.9Å
713V89.7Confident88.2Confident7 Ų755.2 Ų55.24%0.04227%0.267CS..Hα-helixtrans-63-45.9171.3172.90000110.8W706 T709 E710 E715 V716 L717 I759 T772W706-V713 HydrophobicContact CE3-CG2 4.43Å; W706-V713 HydrophobicContact CZ3-CG2 4.43Å; T709-V713 WeakPolarHBondContact O-CG2 3.37Å; T709-V713 PolarHBondContact O-N 2.76Å; E710-V713 WeakPolarHBondContact O-CB 3.46Å; E710-V713 PolarHBondContact O-N 3.34Å; E710-V713 VanDerWaalsContact O-N 3.13Å; V713-E715 VanDerWaalsContact C-N 3.33Å; V713-E715 PolarHBondContact O-N 2.93Å; V713-V716 PolarHBondContact O-N 2.52Å; V713-L717 HydrophobicContact CG1-CD1 3.84Å; V713-L717 HydrophobicContact CG1-CG 4.31Å; V713-L717 WeakPolarHBondContact O-CB 3.49Å; V713-L717 WeakPolarHBondContact O-CG 3.46Å; V713-L717 PolarHBondContact O-N 3.33Å; V713-I759 HydrophobicContact CG1-CD1 3.73Å; V713-I759 HydrophobicContact CG1-CG1 4Å; V713-T772 HydrophobicContact CG1-CG2 3.73Å
714E91.4Very high88.9Confident33 Ų3351.1 Ų51.115%0.15425%0.245CC..Hα-helixtrans-59-43.5176.1-72.4175-159.800112E710 R718 T772 L775E710-E714 WeakPolarHBondContact O-CG 3.49Å; E710-E714 PolarHBondContact O-N 3.1Å; E714-R718 WeakPolarHBondContact O-CB 3.25Å; E714-R718 PolarHBondContact O-N 3.49Å; E714-T772 HydrophobicContact CG-CG2 4.11Å; E714-T772 WeakPolarHBondContact CG-OG1 3.25Å; E714-T772 PolarHBondContact OE1-OG1 3.02Å; E714-L775 HydrophobicContact CB-CD1 3.87Å; E714-L775 HydrophobicContact CG-CD1 4.08Å
715E89.6Confident89.6Confident65 Ų6545.2 Ų45.230%0.30422%0.219SC..Hα-helixtrans-62.5-48.3177-70.2-157.7130.200111.8K668 S711 T712 V713 L717 R718 W719K668-E715 IonicContact NZ-OE1 2.66Å; K668-E715 PolarHBondContact NZ-OE1 3.3Å; K668-E715 IonicContact NZ-OE2 3.27Å; K668-E715 PolarHBondContact NZ-OE2 2.95Å; S711-E715 WeakPolarHBondContact O-CG 3.43Å; S711-E715 PolarHBondContact O-N 3.2Å; S711-E715 VanDerWaalsContact O-N 3.15Å; T712-E715 PolarHBondContact O-N 3.12Å; V713-E715 VanDerWaalsContact C-N 3.33Å; V713-E715 PolarHBondContact O-N 2.93Å; E715-L717 PolarHBondContact O-N 2.86Å; E715-R718 PolarHBondContact O-N 2.94Å; E715-W719 PolarHBondContact O-N 3.49Å
716V91.3Very high90Very high1 Ų136.9 Ų36.91%0.00619%0.188CC..Hα-helixtrans-62.5-43.1179.7171.40000111E700 R701 W706 T712 V713 S720 V755E700-V716 HydrophobicContact CB-CG2 3.98Å; E700-V716 WeakPolarHBondContact OE2-CA 3.27Å; E700-V716 PolarHBondContact OE2-N 3.34Å; R701-V716 HydrophobicContact CG-CG1 4.45Å; W706-V716 HydrophobicContact CB-CG2 4.27Å; W706-V716 HydrophobicContact CD2-CB 4.47Å; W706-V716 HydrophobicContact CD2-CG1 4.36Å; W706-V716 HydrophobicContact CD2-CG2 3.94Å; W706-V716 HydrophobicContact CE3-CB 3.79Å; W706-V716 HydrophobicContact CE3-CG1 3.88Å; W706-V716 HydrophobicContact CE3-CG2 3.65Å; W706-V716 HydrophobicContact CG-CG2 4.22Å; W706-V716 HydrophobicContact CH2-CG1 4.03Å; W706-V716 HydrophobicContact CZ2-CG1 4.48Å; W706-V716 HydrophobicContact CZ3-CB 3.95Å; W706-V716 HydrophobicContact CZ3-CG1 3.71Å; W706-V716 HydrophobicContact CZ3-CG2 4.31Å; T712-V716 WeakPolarHBondContact O-CG2 3.46Å; T712-V716 PolarHBondContact O-N 2.9Å; V713-V716 PolarHBondContact O-N 2.52Å; V716-S720 WeakPolarHBondContact O-CB 3.41Å; V716-S720 PolarHBondContact O-N 3.43Å; V716-S720 PolarHBondContact O-OG 3.1Å; V716-V755 HydrophobicContact CG1-CG1 3.97Å; V716-V755 HydrophobicContact CG1-CG2 4.19Å
717L93.5Very high90.4Very high0 Ų036.4 Ų36.40%019%0.186CC..Hα-helixtrans-61.1-46.6175.4-75.6171.8000111.4V713 E715 S720 A721 V755 L756 I759 T772 L775 L779V713-L717 HydrophobicContact CG1-CD1 3.84Å; V713-L717 HydrophobicContact CG1-CG 4.31Å; V713-L717 WeakPolarHBondContact O-CB 3.49Å; V713-L717 WeakPolarHBondContact O-CG 3.46Å; V713-L717 PolarHBondContact O-N 3.33Å; E715-L717 PolarHBondContact O-N 2.86Å; L717-S720 PolarHBondContact O-N 3.44Å; L717-A721 WeakPolarHBondContact O-CB 3.41Å; L717-A721 PolarHBondContact O-N 3.27Å; L717-V755 HydrophobicContact CD2-CG1 4.06Å; L717-L756 HydrophobicContact CD2-CD2 3.78Å; L717-I759 HydrophobicContact CD1-CD1 4.05Å; L717-I759 HydrophobicContact CD2-CD1 3.63Å; L717-I759 HydrophobicContact CG-CD1 3.83Å; L717-T772 HydrophobicContact CD1-CG2 3.8Å; L717-L775 HydrophobicContact CB-CB 3.93Å; L717-L775 HydrophobicContact CD1-CB 4.08Å; L717-L779 HydrophobicContact CD2-CD2 3.88Å
718R93.3Very high90.8Very high117 Ų11736.2 Ų36.244%0.44219%0.185SC..Hα-helixtrans-62-46.1-179.3-172.9-178-62.7167.32.9111.8E714 E715 A721 K722 L775E714-R718 WeakPolarHBondContact O-CB 3.25Å; E714-R718 PolarHBondContact O-N 3.49Å; E715-R718 PolarHBondContact O-N 2.94Å; R718-A721 PolarHBondContact O-N 2.84Å; R718-K722 WeakPolarHBondContact O-CG 3.45Å; R718-K722 PolarHBondContact O-N 3.47Å; R718-K722 VanDerWaalsContact O-N 3.12Å; R718-L775 HydrophobicContact CB-CD2 4.26Å
719W93.7Very high91.1Very high21 Ų2133.7 Ų33.78%0.0817%0.17CC..Hα-helixtrans-73.9-32.4179-73112.6000112.8K668 A671 V693 I696 V697 E715 A721 K722 L723K668-W719 HydrophobicContact CB-CZ2 4.14Å; K668-W719 HydrophobicContact CD-CZ2 4.21Å; K668-W719 HydrophobicContact CG-CH2 4.46Å; K668-W719 HydrophobicContact CG-CZ2 3.66Å; A671-W719 HydrophobicContact CB-CH2 3.7Å; A671-W719 HydrophobicContact CB-CZ3 3.71Å; V693-W719 HydrophobicContact CG1-CE3 4.13Å; V693-W719 WeakPolarHBondContact CG1-O 3.4Å; V693-W719 HydrophobicContact CG2-CZ3 4.4Å; I696-W719 HydrophobicContact CB-CD2 4.49Å; I696-W719 HydrophobicContact CD1-CD2 4.25Å; I696-W719 HydrophobicContact CD1-CE3 3.8Å; I696-W719 HydrophobicContact CD1-CH2 3.72Å; I696-W719 HydrophobicContact CD1-CZ2 4.18Å; I696-W719 HydrophobicContact CD1-CZ3 3.51Å; I696-W719 HydrophobicContact CG2-CB 4.1Å; I696-W719 HydrophobicContact CG2-CD2 3.57Å; I696-W719 HydrophobicContact CG2-CE3 4.05Å; I696-W719 HydrophobicContact CG2-CG 3.56Å; V697-W719 HydrophobicContact CG2-CB 3.73Å; E715-W719 PolarHBondContact O-N 3.49Å; W719-A721 VanDerWaalsContact C-N 3.35Å; W719-K722 HydrophobicContact CD2-CD 4.45Å; W719-K722 HydrophobicContact CE3-CB 4.36Å; W719-K722 HydrophobicContact CE3-CD 3.7Å; W719-K722 HydrophobicContact CH2-CD 4.42Å; W719-K722 HydrophobicContact CZ3-CD 3.69Å; W719-K722 PolarHBondContact O-N 3.14Å; W719-L723 WeakPolarHBondContact O-CB 3.13Å; W719-L723 PolarHBondContact O-N 3.41Å
720S94.5Very high91.4Very high0 Ų029.8 Ų29.80%015%0.146CC..Hα-helixtrans-64.3-40.4171.8-610000111.3V716 L717 L723 V724V716-S720 WeakPolarHBondContact O-CB 3.41Å; V716-S720 PolarHBondContact O-N 3.43Å; V716-S720 PolarHBondContact O-OG 3.1Å; L717-S720 PolarHBondContact O-N 3.44Å; S720-L723 WeakPolarHBondContact O-CB 3.4Å; S720-L723 PolarHBondContact O-N 3.04Å; S720-V724 WeakPolarHBondContact O-CG2 3.17Å; S720-V724 PolarHBondContact O-N 3.49Å
721A93.3Very high91.6Very high11 Ų1127.8 Ų27.89%0.09114%0.137CC..Hα-helixtrans-62.9-46.7175.600000111.1L717 R718 W719 L723 V724 D725 L779L717-A721 WeakPolarHBondContact O-CB 3.41Å; L717-A721 PolarHBondContact O-N 3.27Å; R718-A721 PolarHBondContact O-N 2.84Å; W719-A721 VanDerWaalsContact C-N 3.35Å; A721-L723 VanDerWaalsContact C-N 3.25Å; A721-L723 PolarHBondContact O-N 3.24Å; A721-V724 PolarHBondContact O-N 2.89Å; A721-D725 PolarHBondContact O-N 2.99Å; A721-L779 HydrophobicContact CB-CD1 4.16Å
722K92Very high91.8Very high65 Ų6529.7 Ų29.728%0.28314%0.139SC..Hα-helixtrans-58.5-36.1173.2-73.2-175.6174.2-168.90112.6E675 V693 R718 W719 D725 A726E675-K722 WeakPolarHBondContact OE1-CE 3.28Å; E675-K722 IonicContact OE1-NZ 3.1Å; E675-K722 PolarHBondContact OE1-NZ 2.9Å; E675-K722 IonicContact OE2-NZ 3.91Å; E675-K722 PolarHBondContact OE2-NZ 2.8Å; V693-K722 HydrophobicContact CG1-CB 4.2Å; R718-K722 WeakPolarHBondContact O-CG 3.45Å; R718-K722 PolarHBondContact O-N 3.47Å; R718-K722 VanDerWaalsContact O-N 3.12Å; W719-K722 HydrophobicContact CD2-CD 4.45Å; W719-K722 HydrophobicContact CE3-CB 4.36Å; W719-K722 HydrophobicContact CE3-CD 3.7Å; W719-K722 HydrophobicContact CH2-CD 4.42Å; W719-K722 HydrophobicContact CZ3-CD 3.69Å; W719-K722 PolarHBondContact O-N 3.14Å; K722-D725 PolarHBondContact O-N 3.25Å; K722-A726 WeakPolarHBondContact O-CB 3.46Å; K722-A726 PolarHBondContact O-N 3.37Å
723L94.3Very high91.9Very high2 Ų232.5 Ų32.51%0.0115%0.146CC..Hα-helixtrans-66.4-46.2178.2-173.145.4000111.5L690 V693 E694 V697 W719 S720 A721 D725 A726 R727 L751L690-L723 HydrophobicContact CD1-CD1 3.54Å; V693-L723 HydrophobicContact CB-CD1 4.23Å; V693-L723 HydrophobicContact CG1-CB 3.7Å; V693-L723 HydrophobicContact CG1-CD1 4.11Å; V693-L723 HydrophobicContact CG1-CG 4.4Å; E694-L723 HydrophobicContact CB-CD1 3.99Å; E694-L723 HydrophobicContact CB-CD2 4.3Å; V697-L723 HydrophobicContact CB-CD2 4.12Å; V697-L723 HydrophobicContact CG1-CD2 4.42Å; V697-L723 HydrophobicContact CG2-CB 4.41Å; V697-L723 HydrophobicContact CG2-CD2 3.91Å; W719-L723 WeakPolarHBondContact O-CB 3.13Å; W719-L723 PolarHBondContact O-N 3.41Å; S720-L723 WeakPolarHBondContact O-CB 3.4Å; S720-L723 PolarHBondContact O-N 3.04Å; A721-L723 VanDerWaalsContact C-N 3.25Å; A721-L723 PolarHBondContact O-N 3.24Å; L723-D725 VanDerWaalsContact C-N 3.33Å; L723-A726 PolarHBondContact O-N 3.07Å; L723-R727 WeakPolarHBondContact O-CG 3.17Å; L723-R727 PolarHBondContact O-N 3.39Å; L723-L751 HydrophobicContact CB-CD2 4.33Å; L723-L751 HydrophobicContact CD2-CD2 3.53Å; L723-L751 HydrophobicContact CG-CD2 4.04Å
724V94.2Very high92Very high0 Ų033 Ų330%015%0.149CC..Hα-helixtrans-62.9-41.7176.1176.80000110.7S720 A721 R727 K728 A748 V752 L779 S782 I783 L786S720-V724 WeakPolarHBondContact O-CG2 3.17Å; S720-V724 PolarHBondContact O-N 3.49Å; A721-V724 PolarHBondContact O-N 2.89Å; V724-R727 WeakPolarHBondContact O-CB 2.89Å; V724-R727 PolarHBondContact O-N 3.48Å; V724-K728 PolarHBondContact O-N 3.31Å; V724-A748 HydrophobicContact CG2-CB 4.33Å; V724-V752 HydrophobicContact CG2-CG2 3.89Å; V724-L779 HydrophobicContact CG2-CD1 3.92Å; V724-S782 VanDerWaalsContact CG1-C 3.5Å; V724-S782 WeakPolarHBondContact CG1-O 3.31Å; V724-I783 HydrophobicContact CG1-CB 4.3Å; V724-I783 HydrophobicContact CG1-CD1 4.33Å; V724-L786 HydrophobicContact CG1-CB 4.19Å; V724-L786 HydrophobicContact CG1-CD2 3.98Å
725D90.8Very high91.8Very high45 Ų4535.5 Ų35.524%0.24117%0.168CC..Hα-helixtrans-64.9-40.2176.4-77.5-37.2000112.7A721 K722 L723 R727 K728 H729 S782A721-D725 PolarHBondContact O-N 2.99Å; K722-D725 PolarHBondContact O-N 3.25Å; L723-D725 VanDerWaalsContact C-N 3.33Å; D725-R727 VanDerWaalsContact C-N 3.32Å; D725-R727 PolarHBondContact O-N 3.18Å; D725-K728 WeakPolarHBondContact O-CB 3.32Å; D725-K728 PolarHBondContact O-N 2.65Å; D725-K728 IonicContact OD1-NZ 2.74Å; D725-K728 PolarHBondContact OD1-NZ 3.42Å; D725-H729 PolarHBondContact O-CD2 3.18Å; D725-H729 PolarHBondContact O-N 2.85Å; D725-S782 PolarHBondContact OD1-OG 3.08Å; D725-S782 PolarHBondContact OD2-OG 3.46Å
726A90.7Very high91.6Very high2 Ų238.5 Ų38.52%0.01719%0.193CC..Hα-helixtrans-60.8-40.7173.400000111.8W686 V689 L690 K722 L723 H729 L730W686-A726 HydrophobicContact CE3-CB 4.19Å; W686-A726 HydrophobicContact CZ3-CB 4.26Å; V689-A726 HydrophobicContact CG1-CB 4.06Å; L690-A726 HydrophobicContact CD1-CB 4.31Å; K722-A726 WeakPolarHBondContact O-CB 3.46Å; K722-A726 PolarHBondContact O-N 3.37Å; L723-A726 PolarHBondContact O-N 3.07Å; A726-H729 PolarHBondContact O-N 3.37Å; A726-L730 WeakPolarHBondContact O-CB 3.35Å; A726-L730 PolarHBondContact O-N 3.48Å
727R93.5Very high91.3Very high6 Ų650.1 Ų50.12%0.02324%0.236CC..Hα-helixtrans-62.1-43.9174-69.9178.7177155.4-0.9111.6L690 E694 L723 V724 D725 L730 V731 L744 S747 L786L690-R727 HydrophobicContact CD1-CB 4.43Å; L690-R727 HydrophobicContact CD1-CG 3.28Å; L690-R727 HydrophobicContact CD2-CG 4.5Å; E694-R727 IonicContact OE1-NH2 3.16Å; E694-R727 PolarHBondContact OE1-NH2 2.94Å; L723-R727 WeakPolarHBondContact O-CG 3.17Å; L723-R727 PolarHBondContact O-N 3.39Å; V724-R727 WeakPolarHBondContact O-CB 2.89Å; V724-R727 PolarHBondContact O-N 3.48Å; D725-R727 VanDerWaalsContact C-N 3.32Å; D725-R727 PolarHBondContact O-N 3.18Å; R727-L730 PolarHBondContact O-N 3.26Å; R727-V731 WeakPolarHBondContact O-CG2 3.39Å; R727-V731 PolarHBondContact O-N 3.03Å; R727-L744 HydrophobicContact CG-CD2 4.35Å; R727-S747 PolarHBondContact NH1-O 2.93Å; R727-S747 PolarHBondContact NH2-OG 3.19Å; R727-S747 VanDerWaalsContact NH2-OG 3.1Å; R727-L786 HydrophobicContact CB-CD2 4.14Å
728K92Very high91.2Very high32 Ų3251.2 Ų51.214%0.13924%0.244CC..Hα-helixtrans-58.9-49.6176.5-176.8-176.173.6-156.50111.6V724 D725 L730 V731 M732 L785 L786 V789V724-K728 PolarHBondContact O-N 3.31Å; D725-K728 WeakPolarHBondContact O-CB 3.32Å; D725-K728 PolarHBondContact O-N 2.65Å; D725-K728 IonicContact OD1-NZ 2.74Å; D725-K728 PolarHBondContact OD1-NZ 3.42Å; K728-L730 VanDerWaalsContact C-N 3.27Å; K728-L730 PolarHBondContact O-N 2.9Å; K728-V731 PolarHBondContact O-N 2.9Å; K728-M732 HydrophobicContact CG-SD 4.48Å; K728-M732 WeakPolarHBondContact O-CG 3.2Å; K728-M732 PolarHBondContact O-N 3.42Å; K728-L785 HydrophobicContact CD-CB 4.24Å; K728-L786 VanDerWaalsContact CA-CD1 3.48Å; K728-L786 HydrophobicContact CB-CB 4.34Å; K728-L786 HydrophobicContact CB-CD1 3.86Å; K728-L786 HydrophobicContact CG-CD1 4.44Å; K728-V789 HydrophobicContact CG-CG2 4.22Å
729H90.2Very high91.1Very high60 Ų6051 Ų5128%0.27826%0.256SS..Hα-helixtrans-60.9-37.2178.2-80.2-68.8000112.9W686 D725 A726 R733W686-H729 HydrophobicContact CD2-CB 3.43Å; W686-H729 VanDerWaalsContact CD2-CB 3.43Å; W686-H729 AromaticContact CE2-CG 3.75Å; W686-H729 HydrophobicContact CE3-CB 3.68Å; W686-H729 HydrophobicContact CG-CB 4.01Å; W686-H729 HydrophobicContact CH2-CB 3.83Å; W686-H729 AromaticContact CH2-CD2 3.35Å; W686-H729 WeakPolarHBondContact CH2-CD2 3.44Å; W686-H729 AromaticContact CH2-CG 3.54Å; W686-H729 AromaticContact CH2-NE2 3.99Å; W686-H729 HydrophobicContact CZ2-CB 3.6Å; W686-H729 AromaticContact CZ2-CD2 3.7Å; W686-H729 AromaticContact CZ2-CG 3.41Å; W686-H729 VanDerWaalsContact CZ2-CG 3.41Å; W686-H729 AromaticContact CZ2-ND1 3.77Å; W686-H729 HydrophobicContact CZ3-CB 3.87Å; W686-H729 AromaticContact CZ3-CD2 3.81Å; D725-H729 PolarHBondContact O-CD2 3.18Å; D725-H729 PolarHBondContact O-N 2.85Å; A726-H729 PolarHBondContact O-N 3.37Å; H729-R733 PolarHBondContact ND1-NH1 3.23Å; H729-R733 VanDerWaalsContact O-CD 3.26Å; H729-R733 WeakPolarHBondContact O-CD 3.27Å; H729-R733 WeakPolarHBondContact O-CG 3.48Å; H729-R733 PolarHBondContact O-NH1 3.42Å
730L90.8Very high90.9Very high0 Ų054.4 Ų54.40%027%0.269CS..Hα-helixtrans-67-45.9174.8-17659.9000111.8V683 W686 E687 L690 A726 R727 K728 M732 R733 L734 L744V683-L730 HydrophobicContact CG1-CD1 3.83Å; W686-L730 HydrophobicContact CB-CB 4.11Å; W686-L730 HydrophobicContact CB-CD1 4.06Å; E687-L730 HydrophobicContact CG-CD1 3.89Å; E687-L730 HydrophobicContact CG-CD2 4.11Å; L690-L730 HydrophobicContact CD2-CD2 3.85Å; A726-L730 WeakPolarHBondContact O-CB 3.35Å; A726-L730 PolarHBondContact O-N 3.48Å; R727-L730 PolarHBondContact O-N 3.26Å; K728-L730 VanDerWaalsContact C-N 3.27Å; K728-L730 PolarHBondContact O-N 2.9Å; L730-M732 VanDerWaalsContact C-N 3.34Å; L730-M732 PolarHBondContact O-N 3.26Å; L730-R733 PolarHBondContact O-N 3.48Å; L730-R733 VanDerWaalsContact O-N 3.08Å; L730-L734 HydrophobicContact CD1-CG 4.37Å; L730-L734 HydrophobicContact CG-CD1 4.09Å; L730-L734 HydrophobicContact CG-CG 4.38Å; L730-L734 WeakPolarHBondContact O-CG 3.41Å; L730-L734 PolarHBondContact O-N 2.97Å; L730-L734 VanDerWaalsContact O-N 3.08Å; L730-L744 HydrophobicContact CD2-CD1 3.83Å; L730-L744 HydrophobicContact CD2-CD2 4.35Å; L730-L744 HydrophobicContact CG-CD1 4.15Å
731V91.5Very high90.8Very high8 Ų855.7 Ų55.75%0.04828%0.276CS..Hα-helixtrans-57-46.2177.9166.40000111.3R727 K728 R733 L734 I741 L744 L786 V789R727-V731 WeakPolarHBondContact O-CG2 3.39Å; R727-V731 PolarHBondContact O-N 3.03Å; K728-V731 PolarHBondContact O-N 2.9Å; V731-R733 PolarHBondContact O-N 3.12Å; V731-L734 PolarHBondContact O-N 2.97Å; V731-I741 HydrophobicContact CG1-CD1 4.5Å; V731-I741 HydrophobicContact CG1-CG1 4.19Å; V731-I741 HydrophobicContact CG1-CG2 3.79Å; V731-I741 HydrophobicContact CG2-CG1 4.46Å; V731-I741 HydrophobicContact CG2-CG2 4.28Å; V731-L744 HydrophobicContact CG2-CB 4.12Å; V731-L744 HydrophobicContact CG2-CD1 3.89Å; V731-L786 HydrophobicContact CB-CD1 4.46Å; V731-L786 HydrophobicContact CG2-CD1 4.13Å; V731-V789 HydrophobicContact CG1-CG1 4.04Å
732M90.2Very high90.7Very high114 Ų11459.3 Ų59.356%0.56230%0.298SS*.THydrogen-bonded Turntrans-59.8-18.5178.9-68178.377.200114.5K728 L730 V789K728-M732 HydrophobicContact CG-SD 4.48Å; K728-M732 WeakPolarHBondContact O-CG 3.2Å; K728-M732 PolarHBondContact O-N 3.42Å; L730-M732 VanDerWaalsContact C-N 3.34Å; L730-M732 PolarHBondContact O-N 3.26Å; M732-V789 HydrophobicContact CG-CG1 3.5Å
733R89.6Confident90.7Very high94 Ų9463.3 Ų63.336%0.35532%0.315SS..THydrogen-bonded Turntrans-108.7-14.2-175.5-69.8163.5173.374.71.3113.1G681 V683 W686 H729 L730 V731G681-R733 WeakPolarHBondContact O-CD 3.49Å; G681-R733 PolarHBondContact O-NE 3.28Å; V683-R733 HydrophobicContact CG2-CB 4.02Å; W686-R733 VanDerWaalsContact CD1-CD 3.49Å; H729-R733 PolarHBondContact ND1-NH1 3.23Å; H729-R733 VanDerWaalsContact O-CD 3.26Å; H729-R733 WeakPolarHBondContact O-CD 3.27Å; H729-R733 WeakPolarHBondContact O-CG 3.48Å; H729-R733 PolarHBondContact O-NH1 3.42Å; L730-R733 PolarHBondContact O-N 3.48Å; L730-R733 VanDerWaalsContact O-N 3.08Å; V731-R733 PolarHBondContact O-N 3.12Å
734L90.8Very high90.6Very high18 Ų1864.2 Ų64.29%0.09432%0.32CS..SBendtrans-75.7152.1174-73.8172.1000109.9V683 L730 V731 R740 I741 L744V683-L734 HydrophobicContact CG1-CD2 3.97Å; L730-L734 HydrophobicContact CD1-CG 4.37Å; L730-L734 HydrophobicContact CG-CD1 4.09Å; L730-L734 HydrophobicContact CG-CG 4.38Å; L730-L734 WeakPolarHBondContact O-CG 3.41Å; L730-L734 PolarHBondContact O-N 2.97Å; L730-L734 VanDerWaalsContact O-N 3.08Å; V731-L734 PolarHBondContact O-N 2.97Å; L734-R740 HydrophobicContact CD1-CB 4.19Å; L734-I741 HydrophobicContact CB-CD1 4.37Å; L734-I741 HydrophobicContact CB-CG1 4.29Å; L734-I741 HydrophobicContact CD1-CG1 4.34Å; L734-L744 HydrophobicContact CD1-CD1 3.91Å
735P88.7Confident90.4Very high85 Ų8565.6 Ų65.655%0.55233%0.327SS*.  trans-56.2141.2172.1-24.133.2000110.9R737 S738 I741P735-R737 PolarHBondContact O-N 3.39Å; P735-S738 WeakPolarHBondContact O-CB 3.35Å; P735-S738 PolarHBondContact O-N 3.49Å; P735-I741 WeakPolarHBondContact O-CD1 3.15Å
736P84.4Confident90.5Very high128 Ų12868 Ų6883%0.83134%0.339SS*.THydrogen-bonded Turntrans-57-25.9-174.8-25.832.2000114.7
737R86.4Confident90.6Very high244 Ų24470.1 Ų70.192%0.92135%0.354SS*.THydrogen-bonded Turntrans-95.914.5177.7-63.1-174.3179.3-178.2-0113.6P735 T739P735-R737 PolarHBondContact O-N 3.39Å; R737-T739 PolarHBondContact O-N 3.22Å
738S90.5Very high90.6Very high24 Ų2469.8 Ų69.817%0.16835%0.353CS..  trans-66.6121.8178.6178.70000110.3P735 R740 I741P735-S738 WeakPolarHBondContact O-CB 3.35Å; P735-S738 PolarHBondContact O-N 3.49Å; S738-R740 PolarHBondContact O-N 3.08Å; S738-R740 WeakPolarHBondContact OG-CB 3.46Å; S738-R740 PolarHBondContact OG-N 3.26Å; S738-I741 PolarHBondContact O-N 2.9Å; S738-I741 VanDerWaalsContact O-N 3.1Å
739T90.6Very high90.7Very high111 Ų11170.6 Ų70.668%0.68136%0.357SS*.THydrogen-bonded Turntrans-62.4-9175.556.70000113.4R737R737-T739 PolarHBondContact O-N 3.22Å
740R91Very high90.9Very high94 Ų9473.6 Ų73.636%0.35537%0.373SS..Hα-helixtrans-81-26.3176.9-60.9171.960.8-1730.6112.8E687 L734 S738 K743 L744E687-R740 IonicContact OE1-CZ 2.69Å; E687-R740 IonicContact OE1-NH1 3.77Å; E687-R740 PolarHBondContact OE1-NH1 2.87Å; E687-R740 IonicContact OE1-NH2 2.87Å; E687-R740 PolarHBondContact OE1-NH2 3.01Å; L734-R740 HydrophobicContact CD1-CB 4.19Å; S738-R740 PolarHBondContact O-N 3.08Å; S738-R740 WeakPolarHBondContact OG-CB 3.46Å; S738-R740 PolarHBondContact OG-N 3.26Å; R740-K743 PolarHBondContact O-N 2.93Å; R740-L744 WeakPolarHBondContact O-CG 3.47Å; R740-L744 PolarHBondContact O-N 2.85Å
741I90.9Very high91Very high27 Ų2774.3 Ų74.314%0.13838%0.376CS..Hα-helixtrans-59.4-53.1-175.5-66.6168.2000111.1V731 L734 P735 S738 K743 L744 I745V731-I741 HydrophobicContact CG1-CD1 4.5Å; V731-I741 HydrophobicContact CG1-CG1 4.19Å; V731-I741 HydrophobicContact CG1-CG2 3.79Å; V731-I741 HydrophobicContact CG2-CG1 4.46Å; V731-I741 HydrophobicContact CG2-CG2 4.28Å; L734-I741 HydrophobicContact CB-CD1 4.37Å; L734-I741 HydrophobicContact CB-CG1 4.29Å; L734-I741 HydrophobicContact CD1-CG1 4.34Å; P735-I741 WeakPolarHBondContact O-CD1 3.15Å; S738-I741 PolarHBondContact O-N 2.9Å; S738-I741 VanDerWaalsContact O-N 3.1Å; I741-K743 PolarHBondContact O-N 3.14Å; I741-L744 PolarHBondContact O-N 2.89Å; I741-L744 VanDerWaalsContact O-N 3.16Å; I741-I745 HydrophobicContact CG2-CD1 3.89Å; I741-I745 WeakPolarHBondContact O-CG1 3.46Å; I741-I745 PolarHBondContact O-N 3.31Å; I741-I745 VanDerWaalsContact O-N 3.11Å
742P90.8Very high91Very high86 Ų8674.1 Ų74.156%0.55838%0.375SS*.Hα-helixtrans-60.2-34.4178.6-23.434.5000113L746P742-L746 WeakPolarHBondContact O-CB 3.37Å; P742-L746 PolarHBondContact O-N 2.7Å
743K92Very high91.2Very high150 Ų15074.1 Ų74.165%0.65238%0.378SS*.Hα-helixtrans-68-39.8178.9-63.6-177.3179.1-176.70112.2R740 I741 S747R740-K743 PolarHBondContact O-N 2.93Å; I741-K743 PolarHBondContact O-N 3.14Å; K743-S747 VanDerWaalsContact O-CB 3.25Å; K743-S747 WeakPolarHBondContact O-CB 3.18Å; K743-S747 PolarHBondContact O-N 3.25Å
744L92.2Very high91.3Very high20 Ų2074.7 Ų74.711%0.10538%0.384CS..Hα-helixtrans-66.9-41.5177.4-71.5169.7000111.4L690 R727 L730 V731 L734 R740 I741 A748L690-L744 HydrophobicContact CD2-CD2 3.9Å; R727-L744 HydrophobicContact CG-CD2 4.35Å; L730-L744 HydrophobicContact CD2-CD1 3.83Å; L730-L744 HydrophobicContact CD2-CD2 4.35Å; L730-L744 HydrophobicContact CG-CD1 4.15Å; V731-L744 HydrophobicContact CG2-CB 4.12Å; V731-L744 HydrophobicContact CG2-CD1 3.89Å; L734-L744 HydrophobicContact CD1-CD1 3.91Å; R740-L744 WeakPolarHBondContact O-CG 3.47Å; R740-L744 PolarHBondContact O-N 2.85Å; I741-L744 PolarHBondContact O-N 2.89Å; I741-L744 VanDerWaalsContact O-N 3.16Å; L744-A748 WeakPolarHBondContact O-CB 3.49Å; L744-A748 PolarHBondContact O-N 2.86Å; L744-A748 VanDerWaalsContact O-N 3.1Å
745I91.4Very high91.3Very high29 Ų2973.8 Ų73.815%0.14938%0.38CS..Hα-helixtrans-64.4-52176.9-63.3170.9000110I741 S747 A748 E749 L786 K787I741-I745 HydrophobicContact CG2-CD1 3.89Å; I741-I745 WeakPolarHBondContact O-CG1 3.46Å; I741-I745 PolarHBondContact O-N 3.31Å; I741-I745 VanDerWaalsContact O-N 3.11Å; I745-S747 VanDerWaalsContact C-N 3.32Å; I745-S747 PolarHBondContact O-N 2.9Å; I745-A748 WeakPolarHBondContact O-CA 3.14Å; I745-A748 WeakPolarHBondContact O-CB 3.3Å; I745-A748 PolarHBondContact O-N 3.39Å; I745-E749 WeakPolarHBondContact O-CG 3.3Å; I745-E749 PolarHBondContact O-N 3.24Å; I745-L786 HydrophobicContact CG1-CD1 4.25Å; I745-L786 HydrophobicContact CG1-CG 4.22Å; I745-K787 HydrophobicContact CG2-CG 4.14Å
746L93.1Very high91.5Very high96 Ų9670.3 Ų70.350%0.50336%0.356SS..Hα-helixtrans-58.8-42.9179.7-177.365.8000112.1P742 A748 E749 M750P742-L746 WeakPolarHBondContact O-CB 3.37Å; P742-L746 PolarHBondContact O-N 2.7Å; L746-A748 VanDerWaalsContact C-N 3.26Å; L746-A748 PolarHBondContact O-N 2.85Å; L746-E749 PolarHBondContact O-N 3.05Å; L746-M750 HydrophobicContact CG-SD 4.49Å; L746-M750 WeakPolarHBondContact O-CG 3.5Å; L746-M750 PolarHBondContact O-N 2.84Å
747S92.9Very high91.8Very high46 Ų4665.2 Ų65.232%0.32233%0.327SS..Hα-helixtrans-64.2-31.1176.6-179.10000112.8R727 K743 I745 L751R727-S747 PolarHBondContact NH1-O 2.93Å; R727-S747 PolarHBondContact NH2-OG 3.19Å; R727-S747 VanDerWaalsContact NH2-OG 3.1Å; K743-S747 VanDerWaalsContact O-CB 3.25Å; K743-S747 WeakPolarHBondContact O-CB 3.18Å; K743-S747 PolarHBondContact O-N 3.25Å; I745-S747 VanDerWaalsContact C-N 3.32Å; I745-S747 PolarHBondContact O-N 2.9Å; S747-L751 WeakPolarHBondContact O-CB 3.49Å; S747-L751 PolarHBondContact O-N 3.44Å
748A93Very high92Very high0 Ų056.4 Ų56.40%030%0.296CS..Hα-helixtrans-72.8-41.3173.800000112.2V724 L744 I745 L746 L751 V752 I783 L786V724-A748 HydrophobicContact CG2-CB 4.33Å; L744-A748 WeakPolarHBondContact O-CB 3.49Å; L744-A748 PolarHBondContact O-N 2.86Å; L744-A748 VanDerWaalsContact O-N 3.1Å; I745-A748 WeakPolarHBondContact O-CA 3.14Å; I745-A748 WeakPolarHBondContact O-CB 3.3Å; I745-A748 PolarHBondContact O-N 3.39Å; L746-A748 VanDerWaalsContact C-N 3.26Å; L746-A748 PolarHBondContact O-N 2.85Å; A748-L751 PolarHBondContact O-N 3.33Å; A748-V752 VanDerWaalsContact O-CG2 3.26Å; A748-V752 WeakPolarHBondContact O-CG2 3.41Å; A748-V752 PolarHBondContact O-N 3.34Å; A748-I783 HydrophobicContact CB-CD1 3.59Å; A748-L786 HydrophobicContact CB-CD2 3.4Å
749E93.9Very high92Very high48 Ų4855.3 Ų55.322%0.22429%0.289CS..Hα-helixtrans-58.8-52.6174.2-68.2176.8152.900111.1I745 L746 L751 V752 D753 I783 K787I745-E749 WeakPolarHBondContact O-CG 3.3Å; I745-E749 PolarHBondContact O-N 3.24Å; L746-E749 PolarHBondContact O-N 3.05Å; E749-L751 VanDerWaalsContact C-N 3.28Å; E749-L751 PolarHBondContact O-N 3.5Å; E749-V752 PolarHBondContact O-N 2.86Å; E749-D753 WeakPolarHBondContact O-CB 3.45Å; E749-D753 VanDerWaalsContact O-CG 3.28Å; E749-D753 PolarHBondContact O-N 2.93Å; E749-I783 HydrophobicContact CG-CD1 4.09Å; E749-I783 HydrophobicContact CG-CG1 4.39Å; E749-K787 WeakPolarHBondContact OE1-CD 3.39Å; E749-K787 WeakPolarHBondContact OE1-CE 3.23Å; E749-K787 IonicContact OE1-NZ 2.63Å; E749-K787 PolarHBondContact OE1-NZ 3.46Å
750M93.7Very high91.9Very high124 Ų12455 Ų5561%0.61128%0.279SS*.Hα-helixtrans-56.7-42.3179.5-70-17868.200112.5L746 E754L746-M750 HydrophobicContact CG-SD 4.49Å; L746-M750 WeakPolarHBondContact O-CG 3.5Å; L746-M750 PolarHBondContact O-N 2.84Å; M750-E754 VanDerWaalsContact O-CB 3.23Å; M750-E754 WeakPolarHBondContact O-CB 3.47Å; M750-E754 PolarHBondContact O-N 3.27Å
751L93Very high91.7Very high14 Ų1458.7 Ų58.77%0.07330%0.298CS..Hα-helixtrans-62.3-47.1176.7173.169000111.6V697 L723 S747 A748 E749 E754 V755V697-L751 HydrophobicContact CG1-CD1 3.95Å; L723-L751 HydrophobicContact CB-CD2 4.33Å; L723-L751 HydrophobicContact CD2-CD2 3.53Å; L723-L751 HydrophobicContact CG-CD2 4.04Å; S747-L751 WeakPolarHBondContact O-CB 3.49Å; S747-L751 PolarHBondContact O-N 3.44Å; A748-L751 PolarHBondContact O-N 3.33Å; E749-L751 VanDerWaalsContact C-N 3.28Å; E749-L751 PolarHBondContact O-N 3.5Å; L751-E754 PolarHBondContact O-N 2.8Å; L751-V755 HydrophobicContact CD1-CG2 3.98Å; L751-V755 HydrophobicContact CG-CG2 4.47Å; L751-V755 WeakPolarHBondContact O-CB 3.38Å; L751-V755 VanDerWaalsContact O-CG2 3.3Å; L751-V755 WeakPolarHBondContact O-CG2 3.31Å; L751-V755 PolarHBondContact O-N 3.01Å
752V92.9Very high91.5Very high4 Ų460.3 Ų60.32%0.02431%0.309CS..Hα-helixtrans-66.9-45.5-176.9172.30000110.5V724 A748 E749 E754 V755 L756 L779 I783V724-V752 HydrophobicContact CG2-CG2 3.89Å; A748-V752 VanDerWaalsContact O-CG2 3.26Å; A748-V752 WeakPolarHBondContact O-CG2 3.41Å; A748-V752 PolarHBondContact O-N 3.34Å; E749-V752 PolarHBondContact O-N 2.86Å; V752-E754 VanDerWaalsContact C-N 3.26Å; V752-E754 PolarHBondContact O-N 2.78Å; V752-V755 PolarHBondContact O-N 3.36Å; V752-L756 HydrophobicContact CG1-CD1 3.5Å; V752-L756 VanDerWaalsContact CG1-CD1 3.5Å; V752-L756 HydrophobicContact CG1-CG 3.88Å; V752-L756 VanDerWaalsContact O-CB 3.3Å; V752-L756 WeakPolarHBondContact O-CB 3.39Å; V752-L756 VanDerWaalsContact O-CG 3.28Å; V752-L756 WeakPolarHBondContact O-CG 3.26Å; V752-L756 PolarHBondContact O-N 3.42Å; V752-L779 HydrophobicContact CG1-CG 4.26Å; V752-L779 HydrophobicContact CG2-CD1 3.8Å; V752-L779 HydrophobicContact CG2-CD2 4.34Å; V752-L779 HydrophobicContact CG2-CG 3.97Å; V752-I783 HydrophobicContact CG1-CG2 4.12Å; V752-I783 HydrophobicContact CG2-CB 4.12Å; V752-I783 HydrophobicContact CG2-CG1 4.34Å; V752-I783 HydrophobicContact CG2-CG2 4.47Å
753D93.5Very high91.2Very high115 Ų11558.7 Ų58.762%0.61530%0.303SS*.Hα-helixtrans-60-39.9177.5-67.9-15.7000111.2E749 G757E749-D753 WeakPolarHBondContact O-CB 3.45Å; E749-D753 VanDerWaalsContact O-CG 3.28Å; E749-D753 PolarHBondContact O-N 2.93Å; D753-G757 VanDerWaalsContact O-CA 3.31Å; D753-G757 WeakPolarHBondContact O-CA 3.31Å; D753-G757 PolarHBondContact O-N 3.32Å
754E91.3Very high90.8Very high105 Ų10552.6 Ų52.649%0.49128%0.283SS..Hα-helixtrans-68.9-47177.9-170.3179.2-166.400112.4R701 M750 L751 V752 Q758R701-E754 IonicContact CZ-OE1 2.76Å; R701-E754 IonicContact CZ-OE2 3.13Å; R701-E754 IonicContact NH1-OE2 2.62Å; R701-E754 PolarHBondContact NH1-OE2 2.85Å; R701-E754 IonicContact NH2-OE1 2.75Å; R701-E754 PolarHBondContact NH2-OE1 2.84Å; R701-E754 IonicContact NH2-OE2 2.75Å; R701-E754 PolarHBondContact NH2-OE2 3.45Å; M750-E754 VanDerWaalsContact O-CB 3.23Å; M750-E754 WeakPolarHBondContact O-CB 3.47Å; M750-E754 PolarHBondContact O-N 3.27Å; L751-E754 PolarHBondContact O-N 2.8Å; V752-E754 VanDerWaalsContact C-N 3.26Å; V752-E754 PolarHBondContact O-N 2.78Å; E754-Q758 VanDerWaalsContact O-CB 3.31Å; E754-Q758 WeakPolarHBondContact O-CB 3.49Å; E754-Q758 PolarHBondContact O-N 3.09Å
755V91.5Very high90.5Very high0 Ų054.8 Ų54.80%029%0.292CS..Hα-helixtrans-67.6-51.8-178.9170.10000111W706 V716 L717 L751 V752 Q758 I759 L779W706-V755 HydrophobicContact CH2-CG1 4.06Å; V716-V755 HydrophobicContact CG1-CG1 3.97Å; V716-V755 HydrophobicContact CG1-CG2 4.19Å; L717-V755 HydrophobicContact CD2-CG1 4.06Å; L751-V755 HydrophobicContact CD1-CG2 3.98Å; L751-V755 HydrophobicContact CG-CG2 4.47Å; L751-V755 WeakPolarHBondContact O-CB 3.38Å; L751-V755 VanDerWaalsContact O-CG2 3.3Å; L751-V755 WeakPolarHBondContact O-CG2 3.31Å; L751-V755 PolarHBondContact O-N 3.01Å; V752-V755 PolarHBondContact O-N 3.36Å; V755-Q758 PolarHBondContact O-N 3.24Å; V755-I759 HydrophobicContact CG1-CD1 4.06Å; V755-I759 WeakPolarHBondContact O-CD1 3.46Å; V755-I759 WeakPolarHBondContact O-CG1 3.45Å; V755-I759 PolarHBondContact O-N 3.16Å; V755-L779 HydrophobicContact CG1-CD2 4.25Å
756L92.3Very high90.2Very high11 Ų1159.9 Ų59.96%0.05832%0.319CS..Hα-helixtrans-67.7-41.6-179-60.3-172000111L717 V752 Q758 I759 E760 Y776 L779 Q780L717-L756 HydrophobicContact CD2-CD2 3.78Å; V752-L756 HydrophobicContact CG1-CD1 3.5Å; V752-L756 VanDerWaalsContact CG1-CD1 3.5Å; V752-L756 HydrophobicContact CG1-CG 3.88Å; V752-L756 VanDerWaalsContact O-CB 3.3Å; V752-L756 WeakPolarHBondContact O-CB 3.39Å; V752-L756 VanDerWaalsContact O-CG 3.28Å; V752-L756 WeakPolarHBondContact O-CG 3.26Å; V752-L756 PolarHBondContact O-N 3.42Å; L756-Q758 VanDerWaalsContact C-N 3.3Å; L756-Q758 PolarHBondContact O-N 3.47Å; L756-I759 PolarHBondContact O-N 2.93Å; L756-E760 WeakPolarHBondContact O-CG 3.31Å; L756-E760 PolarHBondContact O-N 3.03Å; L756-Y776 HydrophobicContact CB-CE2 3.96Å; L756-Y776 HydrophobicContact CD1-CE1 4.31Å; L756-Y776 HydrophobicContact CD1-CE2 4.44Å; L756-Y776 HydrophobicContact CD2-CD1 4.43Å; L756-Y776 HydrophobicContact CD2-CD2 3.55Å; L756-Y776 HydrophobicContact CD2-CE1 4.37Å; L756-Y776 HydrophobicContact CD2-CE2 3.51Å; L756-Y776 HydrophobicContact CD2-CG 4Å; L756-Y776 HydrophobicContact CG-CE2 4.16Å; L756-L779 HydrophobicContact CD2-CD2 3.83Å; L756-L779 HydrophobicContact CD2-CG 4.48Å; L756-L779 HydrophobicContact CG-CD2 4.28Å; L756-Q780 HydrophobicContact CD1-CG 3.54Å
757G91.3Very high89.8Confident21 Ų2158.1 Ų58.122%0.21632%0.324CS..Hα-helixtrans-63.1-34.4177.100000113D753 K761D753-G757 VanDerWaalsContact O-CA 3.31Å; D753-G757 WeakPolarHBondContact O-CA 3.31Å; D753-G757 PolarHBondContact O-N 3.32Å; G757-K761 VanDerWaalsContact O-CG 3.24Å; G757-K761 WeakPolarHBondContact O-CG 3.25Å; G757-K761 PolarHBondContact O-N 2.81Å; G757-K761 VanDerWaalsContact O-N 3.12Å
758Q89.8Confident89.5Confident60 Ų6056.7 Ų56.728%0.2831%0.313SS..Hα-helixtrans-68.7-41.7174-171.462.71900111.9W706 H707 E754 V755 L756 K761 T762W706-Q758 HydrophobicContact CH2-CB 4.23Å; W706-Q758 HydrophobicContact CH2-CG 4.39Å; W706-Q758 HydrophobicContact CZ2-CB 4.05Å; W706-Q758 HydrophobicContact CZ2-CG 3.98Å; H707-Q758 HydrophobicContact CB-CG 4.04Å; H707-Q758 PolarHBondContact CE1-NE2 3.14Å; E754-Q758 VanDerWaalsContact O-CB 3.31Å; E754-Q758 WeakPolarHBondContact O-CB 3.49Å; E754-Q758 PolarHBondContact O-N 3.09Å; V755-Q758 PolarHBondContact O-N 3.24Å; L756-Q758 VanDerWaalsContact C-N 3.3Å; L756-Q758 PolarHBondContact O-N 3.47Å; Q758-K761 PolarHBondContact O-N 3.02Å; Q758-T762 VanDerWaalsContact O-CG2 3.26Å; Q758-T762 WeakPolarHBondContact O-CG2 3.37Å; Q758-T762 PolarHBondContact O-N 2.97Å; Q758-T762 PolarHBondContact O-OG1 3.25Å; Q758-T762 VanDerWaalsContact O-OG1 3.09Å
759I90.3Very high89.3Confident1 Ų163 Ų631%0.00534%0.34CS..Hα-helixtrans-65.1-41.6177.3-66.1164.2000111W706 V713 L717 V755 L756 K761 T762 A763 G764 L768 Y776W706-I759 HydrophobicContact CH2-CD1 4.41Å; W706-I759 HydrophobicContact CH2-CG1 4.09Å; W706-I759 HydrophobicContact CZ3-CD1 4.26Å; W706-I759 HydrophobicContact CZ3-CG1 4.05Å; V713-I759 HydrophobicContact CG1-CD1 3.73Å; V713-I759 HydrophobicContact CG1-CG1 4Å; L717-I759 HydrophobicContact CD1-CD1 4.05Å; L717-I759 HydrophobicContact CD2-CD1 3.63Å; L717-I759 HydrophobicContact CG-CD1 3.83Å; V755-I759 HydrophobicContact CG1-CD1 4.06Å; V755-I759 WeakPolarHBondContact O-CD1 3.46Å; V755-I759 WeakPolarHBondContact O-CG1 3.45Å; V755-I759 PolarHBondContact O-N 3.16Å; L756-I759 PolarHBondContact O-N 2.93Å; I759-K761 VanDerWaalsContact C-N 3.34Å; I759-K761 PolarHBondContact O-N 2.87Å; I759-T762 PolarHBondContact O-N 3.42Å; I759-T762 PolarHBondContact O-OG1 3.2Å; I759-A763 PolarHBondContact O-N 2.97Å; I759-G764 PolarHBondContact O-N 3.38Å; I759-G764 VanDerWaalsContact O-N 3.12Å; I759-L768 HydrophobicContact CG2-CD1 3.87Å; I759-L768 HydrophobicContact CG2-CD2 3.87Å; I759-L768 HydrophobicContact CG2-CG 4.33Å; I759-Y776 HydrophobicContact CG2-CD2 4.4Å
760E89.2Confident89.2Confident103 Ų10366.6 Ų66.648%0.48136%0.357SS..Hα-helixtrans-62-41.2176.3-79179.2-170.300112.4L756 T762 G764 Y776L756-E760 WeakPolarHBondContact O-CG 3.31Å; L756-E760 PolarHBondContact O-N 3.03Å; E760-T762 VanDerWaalsContact C-N 3.31Å; E760-T762 PolarHBondContact O-N 3.06Å; E760-G764 WeakPolarHBondContact O-CA 3.4Å; E760-G764 PolarHBondContact O-N 3.08Å; E760-Y776 PolarHBondContact OE1-OH 3.3Å
761K87.6Confident88.9Confident173 Ų17367.1 Ų67.175%0.75236%0.358SS*.Hα-helixtrans-65.2-32.4177-75.8172.1-173.8175.40113.2G757 Q758 I759G757-K761 VanDerWaalsContact O-CG 3.24Å; G757-K761 WeakPolarHBondContact O-CG 3.25Å; G757-K761 PolarHBondContact O-N 2.81Å; G757-K761 VanDerWaalsContact O-N 3.12Å; Q758-K761 PolarHBondContact O-N 3.02Å; I759-K761 VanDerWaalsContact C-N 3.34Å; I759-K761 PolarHBondContact O-N 2.87Å
762T85.6Confident88.8Confident61 Ų6166.4 Ų66.437%0.37435%0.354SS..Hα-helixtrans-97.5-43.9-169.658.50000113.2H707 Q758 I759 E760H707-T762 HydrophobicContact CB-CG2 4.4Å; H707-T762 WeakPolarHBondContact CD2-CG2 3.16Å; Q758-T762 VanDerWaalsContact O-CG2 3.26Å; Q758-T762 WeakPolarHBondContact O-CG2 3.37Å; Q758-T762 PolarHBondContact O-N 2.97Å; Q758-T762 PolarHBondContact O-OG1 3.25Å; Q758-T762 VanDerWaalsContact O-OG1 3.09Å; I759-T762 PolarHBondContact O-N 3.42Å; I759-T762 PolarHBondContact O-OG1 3.2Å; E760-T762 VanDerWaalsContact C-N 3.31Å; E760-T762 PolarHBondContact O-N 3.06Å
763A84.3Confident88.7Confident51 Ų5168.2 Ų68.242%0.42136%0.362SS..THydrogen-bonded Turntrans-119.6-27.4-176.900000113I759 L768I759-A763 PolarHBondContact O-N 2.97Å; A763-L768 HydrophobicContact CB-CD2 4.09Å
764G84.4Confident88.7Confident23 Ų2367.8 Ų67.824%0.23736%0.356CS..  trans70.3151.5-168.200000111.8I759 E760 D766 G767I759-G764 PolarHBondContact O-N 3.38Å; I759-G764 VanDerWaalsContact O-N 3.12Å; E760-G764 WeakPolarHBondContact O-CA 3.4Å; E760-G764 PolarHBondContact O-N 3.08Å; G764-D766 VanDerWaalsContact C-N 3.27Å; G764-D766 PolarHBondContact O-N 2.83Å; G764-G767 PolarHBondContact O-N 3.19Å; G764-G767 VanDerWaalsContact O-N 3.16Å
765F84.9Confident88.8Confident65 Ų6564.4 Ų64.429%0.28534%0.341SS..G310 helixtrans-56.2-42.7-178.5178.3-101.3000112.2G767 L768 K773 Y776 L777F765-G767 VanDerWaalsContact C-N 3.27Å; F765-G767 PolarHBondContact O-N 3.17Å; F765-L768 HydrophobicContact CD2-CD1 4.45Å; F765-L768 WeakPolarHBondContact O-CB 3.19Å; F765-L768 PolarHBondContact O-N 2.93Å; F765-K773 HydrophobicContact CE1-CD 4.33Å; F765-K773 HydrophobicContact CE2-CB 4.14Å; F765-K773 HydrophobicContact CE2-CG 4.05Å; F765-K773 HydrophobicContact CZ-CB 4.11Å; F765-K773 HydrophobicContact CZ-CD 4.23Å; F765-K773 HydrophobicContact CZ-CG 4.02Å; F765-K773 WeakPolarHBondContact O-CE 3.37Å; F765-Y776 AromaticContact CD2-CD1 3.58Å; F765-Y776 HydrophobicContact CD2-CD1 3.58Å; F765-Y776 HydrophobicContact CD2-CD2 4.26Å; F765-Y776 AromaticContact CD2-CE1 3.76Å; F765-Y776 HydrophobicContact CD2-CE1 3.76Å; F765-Y776 HydrophobicContact CD2-CE2 4.4Å; F765-Y776 AromaticContact CD2-CG 3.9Å; F765-Y776 HydrophobicContact CD2-CG 3.9Å; F765-Y776 AromaticContact CE2-CD1 3.58Å; F765-Y776 HydrophobicContact CE2-CD1 3.58Å; F765-Y776 HydrophobicContact CE2-CE1 4.11Å; F765-Y776 HydrophobicContact CE2-CG 4.04Å; F765-L777 HydrophobicContact CE2-CD2 4.22Å; F765-L777 HydrophobicContact CE2-CG 4.14Å; F765-L777 HydrophobicContact CZ-CD1 4.26Å; F765-L777 HydrophobicContact CZ-CD2 4.2Å; F765-L777 HydrophobicContact CZ-CG 4.16Å
766D85.3Confident88.9Confident137 Ų13764.7 Ų64.773%0.73334%0.343SS*.G310 helixtrans-67.3-26.1-177.3-68.5-39.3000113.8G764 L768 K773G764-D766 VanDerWaalsContact C-N 3.27Å; G764-D766 PolarHBondContact O-N 2.83Å; D766-L768 VanDerWaalsContact C-N 3.3Å; D766-L768 PolarHBondContact O-N 3.29Å; D766-K773 PolarHBondContact O-NZ 3.32Å
767G84.6Confident88.9Confident59 Ų5967.6 Ų67.661%0.60836%0.358SS*.G310 helixtrans-77.3-9.6179.600000114.8G764 F765G764-G767 PolarHBondContact O-N 3.19Å; G764-G767 VanDerWaalsContact O-N 3.16Å; F765-G767 VanDerWaalsContact C-N 3.27Å; F765-G767 PolarHBondContact O-N 3.17Å
768L87.5Confident89Confident15 Ų1567.9 Ų67.98%0.07936%0.358CS..SBendtrans-78.7145.6179.8-60.1176.7000111.8I759 A763 F765 D766 T772 K773 Y776I759-L768 HydrophobicContact CG2-CD1 3.87Å; I759-L768 HydrophobicContact CG2-CD2 3.87Å; I759-L768 HydrophobicContact CG2-CG 4.33Å; A763-L768 HydrophobicContact CB-CD2 4.09Å; F765-L768 HydrophobicContact CD2-CD1 4.45Å; F765-L768 WeakPolarHBondContact O-CB 3.19Å; F765-L768 PolarHBondContact O-N 2.93Å; D766-L768 VanDerWaalsContact C-N 3.3Å; D766-L768 PolarHBondContact O-N 3.29Å; L768-T772 HydrophobicContact CB-CG2 4.36Å; L768-T772 HydrophobicContact CD1-CG2 4.26Å; L768-T772 HydrophobicContact CD2-CG2 3.98Å; L768-T772 HydrophobicContact CG-CG2 4.42Å; L768-K773 HydrophobicContact CB-CG 3.75Å; L768-K773 WeakPolarHBondContact O-CE 3.21Å; L768-K773 PolarHBondContact O-NZ 3.14Å; L768-Y776 HydrophobicContact CD1-CD2 4.07Å; L768-Y776 HydrophobicContact CD1-CG 4.48Å
769K89.4Confident89.2Confident133 Ų13365 Ų6558%0.57835%0.345SS*.  trans-64.7162.2166-69.9177.5-171.5140.90111.2E710 E771 T772 K773E710-K769 VanDerWaalsContact CD-CD 3.47Å; E710-K769 WeakPolarHBondContact OE1-CB 3.2Å; E710-K769 WeakPolarHBondContact OE1-CD 3.36Å; E710-K769 WeakPolarHBondContact OE1-CG 3.38Å; E710-K769 PolarHBondContact OE1-N 3.08Å; E710-K769 WeakPolarHBondContact OE2-CD 3.48Å; E710-K769 WeakPolarHBondContact OE2-CE 3.22Å; E710-K769 WeakPolarHBondContact OE2-CG 3.34Å; E710-K769 IonicContact OE2-NZ 2.67Å; E710-K769 PolarHBondContact OE2-NZ 3.47Å; K769-E771 PolarHBondContact O-N 2.94Å; K769-T772 PolarHBondContact O-N 2.96Å; K769-T772 VanDerWaalsContact O-N 3.16Å; K769-K773 WeakPolarHBondContact O-CG 3.36Å; K769-K773 PolarHBondContact O-N 3.49Å
770Q89.9Confident89.3Confident124 Ų12468.7 Ų68.758%0.57936%0.362SS*.Hα-helixtrans-55.5-46-175.2-172.160.124.300113.4T772 K773 E774Q770-T772 VanDerWaalsContact C-N 3.34Å; Q770-T772 PolarHBondContact O-N 3.46Å; Q770-K773 WeakPolarHBondContact O-CB 3.28Å; Q770-K773 PolarHBondContact O-N 2.93Å; Q770-E774 WeakPolarHBondContact O-CG 3.24Å; Q770-E774 PolarHBondContact O-N 3.29Å
771E88.5Confident89.5Confident134 Ų13471.2 Ų71.263%0.62637%0.367SS*.Hα-helixtrans-61.9-41.7179-65.2177.7-167.800111.8K769 E774 L775K769-E771 PolarHBondContact O-N 2.94Å; E771-E774 PolarHBondContact O-N 3.02Å; E771-L775 PolarHBondContact O-N 3.47Å; E771-L775 VanDerWaalsContact O-N 3.14Å
772T90.8Very high89.7Confident0 Ų063.6 Ų63.60%034%0.335CS..Hα-helixtrans-67.1-38.9176.5-41.80000111.9E710 V713 E714 L717 L768 K769 Q770 E774 L775 Y776E710-T772 PolarHBondContact OE1-OG1 2.74Å; V713-T772 HydrophobicContact CG1-CG2 3.73Å; E714-T772 HydrophobicContact CG-CG2 4.11Å; E714-T772 WeakPolarHBondContact CG-OG1 3.25Å; E714-T772 PolarHBondContact OE1-OG1 3.02Å; L717-T772 HydrophobicContact CD1-CG2 3.8Å; L768-T772 HydrophobicContact CB-CG2 4.36Å; L768-T772 HydrophobicContact CD1-CG2 4.26Å; L768-T772 HydrophobicContact CD2-CG2 3.98Å; L768-T772 HydrophobicContact CG-CG2 4.42Å; K769-T772 PolarHBondContact O-N 2.96Å; K769-T772 VanDerWaalsContact O-N 3.16Å; Q770-T772 VanDerWaalsContact C-N 3.34Å; Q770-T772 PolarHBondContact O-N 3.46Å; T772-E774 VanDerWaalsContact C-N 3.32Å; T772-E774 PolarHBondContact O-N 3.41Å; T772-L775 PolarHBondContact O-N 3.1Å; T772-Y776 WeakPolarHBondContact O-CB 3.34Å; T772-Y776 PolarHBondContact O-N 3.15Å
773K91.5Very high90Very high41 Ų4161.4 Ų61.418%0.17832%0.321CS..Hα-helixtrans-60.2-41.6173.2-73.4179.2172.2166.60111.4F765 D766 L768 K769 Q770 L775 Y776 L777F765-K773 HydrophobicContact CE1-CD 4.33Å; F765-K773 HydrophobicContact CE2-CB 4.14Å; F765-K773 HydrophobicContact CE2-CG 4.05Å; F765-K773 HydrophobicContact CZ-CB 4.11Å; F765-K773 HydrophobicContact CZ-CD 4.23Å; F765-K773 HydrophobicContact CZ-CG 4.02Å; F765-K773 WeakPolarHBondContact O-CE 3.37Å; D766-K773 PolarHBondContact O-NZ 3.32Å; L768-K773 HydrophobicContact CB-CG 3.75Å; L768-K773 WeakPolarHBondContact O-CE 3.21Å; L768-K773 PolarHBondContact O-NZ 3.14Å; K769-K773 WeakPolarHBondContact O-CG 3.36Å; K769-K773 PolarHBondContact O-N 3.49Å; Q770-K773 WeakPolarHBondContact O-CB 3.28Å; Q770-K773 PolarHBondContact O-N 2.93Å; K773-L775 PolarHBondContact O-N 2.7Å; K773-Y776 PolarHBondContact O-N 3.27Å; K773-L777 WeakPolarHBondContact O-CB 3.39Å; K773-L777 VanDerWaalsContact O-CG 3.32Å; K773-L777 WeakPolarHBondContact O-CG 3.35Å; K773-L777 PolarHBondContact O-N 3.47Å
774E93.1Very high90.4Very high107 Ų10761.7 Ų61.750%0.532%0.323SS..Hα-helixtrans-63.3-41.4177.4-73176.3-168.200112.2Q770 E771 T772 L777 A778Q770-E774 WeakPolarHBondContact O-CG 3.24Å; Q770-E774 PolarHBondContact O-N 3.29Å; E771-E774 PolarHBondContact O-N 3.02Å; T772-E774 VanDerWaalsContact C-N 3.32Å; T772-E774 PolarHBondContact O-N 3.41Å; E774-L777 PolarHBondContact O-N 3.22Å; E774-A778 VanDerWaalsContact O-CB 3.28Å; E774-A778 WeakPolarHBondContact O-CB 3.36Å; E774-A778 PolarHBondContact O-N 2.67Å
775L92.6Very high90.7Very high34 Ų3465 Ų6518%0.17834%0.335CS..Hα-helixtrans-67.1-39.8174.6-70.9172.3000112.5E714 L717 R718 E771 T772 K773 A778 L779E714-L775 HydrophobicContact CB-CD1 3.87Å; E714-L775 HydrophobicContact CG-CD1 4.08Å; L717-L775 HydrophobicContact CB-CB 3.93Å; L717-L775 HydrophobicContact CD1-CB 4.08Å; R718-L775 HydrophobicContact CB-CD2 4.26Å; E771-L775 PolarHBondContact O-N 3.47Å; E771-L775 VanDerWaalsContact O-N 3.14Å; T772-L775 PolarHBondContact O-N 3.1Å; K773-L775 PolarHBondContact O-N 2.7Å; L775-A778 WeakPolarHBondContact O-CB 3.45Å; L775-A778 PolarHBondContact O-N 3.1Å; L775-L779 PolarHBondContact O-N 2.77Å
776Y93.8Very high91Very high6 Ų662 Ų622%0.02432%0.322CS..Hα-helixtrans-58.8-49.9174.5-179.4-70.2000110.3L756 I759 E760 F765 L768 T772 K773 A778 L779 Q780L756-Y776 HydrophobicContact CB-CE2 3.96Å; L756-Y776 HydrophobicContact CD1-CE1 4.31Å; L756-Y776 HydrophobicContact CD1-CE2 4.44Å; L756-Y776 HydrophobicContact CD2-CD1 4.43Å; L756-Y776 HydrophobicContact CD2-CD2 3.55Å; L756-Y776 HydrophobicContact CD2-CE1 4.37Å; L756-Y776 HydrophobicContact CD2-CE2 3.51Å; L756-Y776 HydrophobicContact CD2-CG 4Å; L756-Y776 HydrophobicContact CG-CE2 4.16Å; I759-Y776 HydrophobicContact CG2-CD2 4.4Å; E760-Y776 PolarHBondContact OE1-OH 3.3Å; F765-Y776 AromaticContact CD2-CD1 3.58Å; F765-Y776 HydrophobicContact CD2-CD1 3.58Å; F765-Y776 HydrophobicContact CD2-CD2 4.26Å; F765-Y776 AromaticContact CD2-CE1 3.76Å; F765-Y776 HydrophobicContact CD2-CE1 3.76Å; F765-Y776 HydrophobicContact CD2-CE2 4.4Å; F765-Y776 AromaticContact CD2-CG 3.9Å; F765-Y776 HydrophobicContact CD2-CG 3.9Å; F765-Y776 AromaticContact CE2-CD1 3.58Å; F765-Y776 HydrophobicContact CE2-CD1 3.58Å; F765-Y776 HydrophobicContact CE2-CE1 4.11Å; F765-Y776 HydrophobicContact CE2-CG 4.04Å; L768-Y776 HydrophobicContact CD1-CD2 4.07Å; L768-Y776 HydrophobicContact CD1-CG 4.48Å; T772-Y776 WeakPolarHBondContact O-CB 3.34Å; T772-Y776 PolarHBondContact O-N 3.15Å; K773-Y776 PolarHBondContact O-N 3.27Å; Y776-A778 VanDerWaalsContact C-N 3.34Å; Y776-A778 PolarHBondContact O-N 3.1Å; Y776-L779 PolarHBondContact O-N 3.26Å; Y776-Q780 HydrophobicContact CD1-CG 4.43Å; Y776-Q780 VanDerWaalsContact CE1-CD 3.49Å; Y776-Q780 HydrophobicContact CE1-CG 4.07Å; Y776-Q780 VanDerWaalsContact CE1-NE2 3.33Å; Y776-Q780 PolarHBondContact O-N 3.15Å; Y776-Q780 VanDerWaalsContact O-N 3.14Å; Y776-Q780 PolarHBondContact OH-NE2 3.17Å
777L93.3Very high91.1Very high72 Ų7260.7 Ų60.738%0.37731%0.31SS..Hα-helixtrans-67.9-32177.2-67.7173.7000112.5F765 K773 E774 R781F765-L777 HydrophobicContact CE2-CD2 4.22Å; F765-L777 HydrophobicContact CE2-CG 4.14Å; F765-L777 HydrophobicContact CZ-CD1 4.26Å; F765-L777 HydrophobicContact CZ-CD2 4.2Å; F765-L777 HydrophobicContact CZ-CG 4.16Å; K773-L777 WeakPolarHBondContact O-CB 3.39Å; K773-L777 VanDerWaalsContact O-CG 3.32Å; K773-L777 WeakPolarHBondContact O-CG 3.35Å; K773-L777 PolarHBondContact O-N 3.47Å; E774-L777 PolarHBondContact O-N 3.22Å; L777-R781 WeakPolarHBondContact O-CB 3.46Å; L777-R781 VanDerWaalsContact O-CG 3.31Å; L777-R781 WeakPolarHBondContact O-CG 3.49Å; L777-R781 PolarHBondContact O-N 3.22Å; L777-R781 PolarHBondContact O-NE 3.36Å
778A92.2Very high91.3Very high27 Ų2762 Ų6222%0.22332%0.315CS..Hα-helixtrans-63-43.917300000111E774 L775 Y776 R781 S782E774-A778 VanDerWaalsContact O-CB 3.28Å; E774-A778 WeakPolarHBondContact O-CB 3.36Å; E774-A778 PolarHBondContact O-N 2.67Å; L775-A778 WeakPolarHBondContact O-CB 3.45Å; L775-A778 PolarHBondContact O-N 3.1Å; Y776-A778 VanDerWaalsContact C-N 3.34Å; Y776-A778 PolarHBondContact O-N 3.1Å; A778-R781 PolarHBondContact O-N 3.41Å; A778-S782 PolarHBondContact O-N 2.99Å; A778-S782 PolarHBondContact O-OG 2.63Å
779L93.9Very high91Very high0 Ų065.4 Ų65.40%034%0.336CS..Hα-helixtrans-62.1-44.9176.9-176.155.9000112.1L717 A721 V724 V752 V755 L756 L775 Y776 R781 S782 I783L717-L779 HydrophobicContact CD2-CD2 3.88Å; A721-L779 HydrophobicContact CB-CD1 4.16Å; V724-L779 HydrophobicContact CG2-CD1 3.92Å; V752-L779 HydrophobicContact CG1-CG 4.26Å; V752-L779 HydrophobicContact CG2-CD1 3.8Å; V752-L779 HydrophobicContact CG2-CD2 4.34Å; V752-L779 HydrophobicContact CG2-CG 3.97Å; V755-L779 HydrophobicContact CG1-CD2 4.25Å; L756-L779 HydrophobicContact CD2-CD2 3.83Å; L756-L779 HydrophobicContact CD2-CG 4.48Å; L756-L779 HydrophobicContact CG-CD2 4.28Å; L775-L779 PolarHBondContact O-N 2.77Å; Y776-L779 PolarHBondContact O-N 3.26Å; L779-R781 VanDerWaalsContact C-N 3.31Å; L779-R781 PolarHBondContact O-N 3.4Å; L779-S782 PolarHBondContact O-N 3.04Å; L779-I783 PolarHBondContact O-N 3.4Å; L779-I783 VanDerWaalsContact O-N 3.1Å
780Q92.7Very high91.1Very high77 Ų7762.1 Ų62.136%0.3632%0.324SS..Hα-helixtrans-58.9-40.9174.4-74-171.6-3000112.5L756 Y776 I783 A784L756-Q780 HydrophobicContact CD1-CG 3.54Å; Y776-Q780 HydrophobicContact CD1-CG 4.43Å; Y776-Q780 VanDerWaalsContact CE1-CD 3.49Å; Y776-Q780 HydrophobicContact CE1-CG 4.07Å; Y776-Q780 VanDerWaalsContact CE1-NE2 3.33Å; Y776-Q780 PolarHBondContact O-N 3.15Å; Y776-Q780 VanDerWaalsContact O-N 3.14Å; Y776-Q780 PolarHBondContact OH-NE2 3.17Å; Q780-I783 WeakPolarHBondContact O-CG2 3.25Å; Q780-A784 WeakPolarHBondContact O-CB 3.38Å; Q780-A784 PolarHBondContact O-N 3.04Å; Q780-A784 VanDerWaalsContact O-N 3.15Å
781R93.1Very high91.2Very high157 Ų15758.8 Ų58.859%0.59231%0.311SS*.Hα-helixtrans-66.8-43.9175.7-74.9180-70.6173.8-1.6112L777 A778 L779 I783 A784 L785L777-R781 WeakPolarHBondContact O-CB 3.46Å; L777-R781 VanDerWaalsContact O-CG 3.31Å; L777-R781 WeakPolarHBondContact O-CG 3.49Å; L777-R781 PolarHBondContact O-N 3.22Å; L777-R781 PolarHBondContact O-NE 3.36Å; A778-R781 PolarHBondContact O-N 3.41Å; L779-R781 VanDerWaalsContact C-N 3.31Å; L779-R781 PolarHBondContact O-N 3.4Å; R781-I783 VanDerWaalsContact C-N 3.32Å; R781-I783 PolarHBondContact O-N 2.8Å; R781-A784 PolarHBondContact O-N 2.75Å; R781-L785 WeakPolarHBondContact O-CB 3.42Å; R781-L785 WeakPolarHBondContact O-CG 3.17Å; R781-L785 PolarHBondContact O-N 3.32Å
782S91.3Very high91.3Very high12 Ų1254.6 Ų54.68%0.08429%0.293CS..Hα-helixtrans-60.6-40.1179.6-68.30000112V724 D725 A778 L779 L786V724-S782 VanDerWaalsContact CG1-C 3.5Å; V724-S782 WeakPolarHBondContact CG1-O 3.31Å; D725-S782 PolarHBondContact OD1-OG 3.08Å; D725-S782 PolarHBondContact OD2-OG 3.46Å; A778-S782 PolarHBondContact O-N 2.99Å; A778-S782 PolarHBondContact O-OG 2.63Å; L779-S782 PolarHBondContact O-N 3.04Å; S782-L786 WeakPolarHBondContact O-CB 3.44Å; S782-L786 PolarHBondContact O-N 2.88Å
783I93.2Very high91.3Very high15 Ų1557.8 Ų57.88%0.07731%0.31CS..Hα-helixtrans-71.1-39.6176.9-171.559000112.3V724 A748 E749 V752 L779 Q780 R781 L785 L786 K787V724-I783 HydrophobicContact CG1-CB 4.3Å; V724-I783 HydrophobicContact CG1-CD1 4.33Å; A748-I783 HydrophobicContact CB-CD1 3.59Å; E749-I783 HydrophobicContact CG-CD1 4.09Å; E749-I783 HydrophobicContact CG-CG1 4.39Å; V752-I783 HydrophobicContact CG1-CG2 4.12Å; V752-I783 HydrophobicContact CG2-CB 4.12Å; V752-I783 HydrophobicContact CG2-CG1 4.34Å; V752-I783 HydrophobicContact CG2-CG2 4.47Å; L779-I783 PolarHBondContact O-N 3.4Å; L779-I783 VanDerWaalsContact O-N 3.1Å; Q780-I783 WeakPolarHBondContact O-CG2 3.25Å; R781-I783 VanDerWaalsContact C-N 3.32Å; R781-I783 PolarHBondContact O-N 2.8Å; I783-L785 VanDerWaalsContact C-N 3.32Å; I783-L785 PolarHBondContact O-N 2.92Å; I783-L786 HydrophobicContact CD1-CD2 4.01Å; I783-L786 PolarHBondContact O-N 3.47Å; I783-K787 WeakPolarHBondContact O-CG 3.28Å; I783-K787 PolarHBondContact O-N 3.46Å
784A91.6Very high91.3Very high57 Ų5758.9 Ų58.947%0.47132%0.319SS..Hα-helixtrans-61.7-42.1175.700000111.5Q780 R781 K787 A788Q780-A784 WeakPolarHBondContact O-CB 3.38Å; Q780-A784 PolarHBondContact O-N 3.04Å; Q780-A784 VanDerWaalsContact O-N 3.15Å; R781-A784 PolarHBondContact O-N 2.75Å; A784-K787 PolarHBondContact O-N 2.96Å; A784-A788 PolarHBondContact O-N 3.46Å; A784-A788 VanDerWaalsContact O-N 3.1Å
785L90.8Very high91.2Very high94 Ų9455.7 Ų55.749%0.49231%0.307SS..Hα-helixtrans-63.6-40.8174.3-72.3171.5000112.1K728 R781 I783 K787 A788 V789K728-L785 HydrophobicContact CD-CB 4.24Å; R781-L785 WeakPolarHBondContact O-CB 3.42Å; R781-L785 WeakPolarHBondContact O-CG 3.17Å; R781-L785 PolarHBondContact O-N 3.32Å; I783-L785 VanDerWaalsContact C-N 3.32Å; I783-L785 PolarHBondContact O-N 2.92Å; L785-K787 VanDerWaalsContact C-N 3.31Å; L785-K787 PolarHBondContact O-N 3.03Å; L785-A788 PolarHBondContact O-N 3.13Å; L785-V789 WeakPolarHBondContact O-CG2 3.46Å; L785-V789 PolarHBondContact O-N 2.86Å; L785-V789 VanDerWaalsContact O-N 3.13Å
786L90.9Very high91.1Very high0 Ų057.2 Ų57.20%032%0.316CS..Hα-helixtrans-62.5-36175.6172.162.9000112.4V724 R727 K728 V731 I745 A748 S782 I783 V789V724-L786 HydrophobicContact CG1-CB 4.19Å; V724-L786 HydrophobicContact CG1-CD2 3.98Å; R727-L786 HydrophobicContact CB-CD2 4.14Å; K728-L786 VanDerWaalsContact CA-CD1 3.48Å; K728-L786 HydrophobicContact CB-CB 4.34Å; K728-L786 HydrophobicContact CB-CD1 3.86Å; K728-L786 HydrophobicContact CG-CD1 4.44Å; V731-L786 HydrophobicContact CB-CD1 4.46Å; V731-L786 HydrophobicContact CG2-CD1 4.13Å; I745-L786 HydrophobicContact CG1-CD1 4.25Å; I745-L786 HydrophobicContact CG1-CG 4.22Å; A748-L786 HydrophobicContact CB-CD2 3.4Å; S782-L786 WeakPolarHBondContact O-CB 3.44Å; S782-L786 PolarHBondContact O-N 2.88Å; I783-L786 HydrophobicContact CD1-CD2 4.01Å; I783-L786 PolarHBondContact O-N 3.47Å; L786-V789 VanDerWaalsContact O-OXT 3.09Å
787K88.8Confident90.9Very high111 Ų11161.2 Ų61.248%0.48334%0.338SS..Hα-helixtrans-74-27.9176.7-65-175-158.6-154.10113.2I745 E749 I783 A784 L785I745-K787 HydrophobicContact CG2-CG 4.14Å; E749-K787 WeakPolarHBondContact OE1-CD 3.39Å; E749-K787 WeakPolarHBondContact OE1-CE 3.23Å; E749-K787 IonicContact OE1-NZ 2.63Å; E749-K787 PolarHBondContact OE1-NZ 3.46Å; I783-K787 WeakPolarHBondContact O-CG 3.28Å; I783-K787 PolarHBondContact O-N 3.46Å; A784-K787 PolarHBondContact O-N 2.96Å; L785-K787 VanDerWaalsContact C-N 3.31Å; L785-K787 PolarHBondContact O-N 3.03Å
788A87.5Confident90.7Very high86 Ų8660.3 Ų60.371%0.71134%0.335SS*.Hα-helixtrans-77.8-31.5-179.800000112.6A784 L785A784-A788 PolarHBondContact O-N 3.46Å; A784-A788 VanDerWaalsContact O-N 3.1Å; L785-A788 PolarHBondContact O-N 3.13Å
789V82.6Confident90.6Very high87 Ų8763.3 Ų63.353%0.52735%0.345SS..  trans-72.20169.2172.90000109.6K728 V731 M732 L785 L786K728-V789 HydrophobicContact CG-CG2 4.22Å; V731-V789 HydrophobicContact CG1-CG1 4.04Å; M732-V789 HydrophobicContact CG-CG1 3.5Å; L785-V789 WeakPolarHBondContact O-CG2 3.46Å; L785-V789 PolarHBondContact O-N 2.86Å; L785-V789 VanDerWaalsContact O-N 3.13Å; L786-V789 VanDerWaalsContact O-OXT 3.09Å

Retrieved 789 of 789 residues in 665.1 ms (Link to these results)

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