A0A5K4F443_SCHMA Loading...

Phosphate transporter AlphaSync

Sodium-phosphate symporter.

AlphaFold DB , UniProt , Accession A0A5K4F443, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 587 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
1M53.2Low88.6Confident170 Ų17073.3 Ų73.384%0.83737%0.365SS*.  0132.80-167.8168.2177.400107.5I3 E5 I8M1-I3 VanDerWaalsContact CG-O 3.3Å; M1-I3 WeakPolarHBondContact CG-O 3.3Å; M1-I3 PolarHBondContact O-N 3.41Å; M1-E5 HydrophobicContact SD-CG 4.49Å; M1-I8 HydrophobicContact CE-CD1 3.16Å; M1-I8 HydrophobicContact CE-CG1 3.57Å; M1-I8 HydrophobicContact SD-CD1 4.01Å
2L81.6Confident89.3Confident140 Ų14073.5 Ų73.573%0.73337%0.373SS*.  trans-71.8-19.3-177.7-83.5160.2000113.2
3I90.1Very high90Very high24 Ų2471.8 Ų71.812%0.12337%0.368CS..SBendtrans-120.9127.7-175.7-54.9168.2000107.7M1 Q7 I8 V11 W457 A460 T461M1-I3 VanDerWaalsContact CG-O 3.3Å; M1-I3 WeakPolarHBondContact CG-O 3.3Å; M1-I3 PolarHBondContact O-N 3.41Å; I3-Q7 HydrophobicContact CG2-CB 4.17Å; I3-I8 HydrophobicContact CG2-CG1 4.42Å; I3-V11 HydrophobicContact CD1-CG2 4.38Å; I3-V11 HydrophobicContact CG2-CG2 4.36Å; I3-W457 HydrophobicContact CD1-CZ3 4.27Å; I3-A460 HydrophobicContact CD1-CB 4.19Å; I3-A460 HydrophobicContact CG1-CB 4.12Å; I3-A460 WeakPolarHBondContact CG1-O 3.18Å; I3-A460 HydrophobicContact CG2-CB 4.21Å; I3-T461 HydrophobicContact CD1-CG2 4.41Å; I3-T461 HydrophobicContact CG1-CG2 4.4Å
4P91.4Very high90.5Very high42 Ų4266.7 Ų66.727%0.27334%0.342SS..  trans-57.1145.7174-26.536.4000113.1D6 Q7 I8P4-D6 VanDerWaalsContact C-N 3.33Å; P4-D6 WeakPolarHBondContact CB-OD1 3.48Å; P4-D6 PolarHBondContact O-N 3.24Å; P4-Q7 HydrophobicContact CB-CB 4.49Å; P4-Q7 HydrophobicContact CB-CG 4.08Å; P4-Q7 HydrophobicContact CG-CG 4.44Å; P4-Q7 PolarHBondContact O-N 3.44Å; P4-I8 PolarHBondContact O-N 3.39Å
5E91.1Very high91.1Very high161 Ų16164.1 Ų64.175%0.75233%0.327SS*.G310 helixtrans-62.2-38.1-172.1-69.4-173.9176.800113.4M1 Q7 I8M1-E5 HydrophobicContact SD-CG 4.49Å; E5-Q7 PolarHBondContact O-N 3.03Å; E5-I8 HydrophobicContact CB-CD1 4.31Å; E5-I8 HydrophobicContact CG-CD1 4.37Å; E5-I8 PolarHBondContact O-N 3.36Å
6D90.1Very high91.5Very high106 Ų10665.8 Ų65.857%0.56734%0.336SS*.G310 helixtrans-66-16176.361.4-58.9000113.4P4 W9P4-D6 VanDerWaalsContact C-N 3.33Å; P4-D6 WeakPolarHBondContact CB-OD1 3.48Å; P4-D6 PolarHBondContact O-N 3.24Å; D6-W9 PolarHBondContact O-NE1 3.24Å
7Q93.9Very high91.9Very high6 Ų664 Ų643%0.02833%0.327CS..G310 helixtrans-103.2-14.1-177.8-58.717811.100113.6I3 P4 E5 W9 M10 V89 M92I3-Q7 HydrophobicContact CG2-CB 4.17Å; P4-Q7 HydrophobicContact CB-CB 4.49Å; P4-Q7 HydrophobicContact CB-CG 4.08Å; P4-Q7 HydrophobicContact CG-CG 4.44Å; P4-Q7 PolarHBondContact O-N 3.44Å; E5-Q7 PolarHBondContact O-N 3.03Å; Q7-W9 VanDerWaalsContact C-N 3.25Å; Q7-W9 PolarHBondContact O-N 3Å; Q7-M10 HydrophobicContact CB-CE 4.02Å; Q7-M10 HydrophobicContact CG-CE 4.1Å; Q7-M10 PolarHBondContact O-N 2.94Å; Q7-V89 HydrophobicContact CG-CG1 4.36Å; Q7-M92 HydrophobicContact CB-CE 4.04Å
8I94.6Very high92.3Very high56 Ų5660.4 Ų60.429%0.28731%0.309SS..Hα-helixtrans-57.1-40.8-175.2-64.1164.8000111.4M1 I3 P4 E5 M10 V11 V12M1-I8 HydrophobicContact CE-CD1 3.16Å; M1-I8 HydrophobicContact CE-CG1 3.57Å; M1-I8 HydrophobicContact SD-CD1 4.01Å; I3-I8 HydrophobicContact CG2-CG1 4.42Å; P4-I8 PolarHBondContact O-N 3.39Å; E5-I8 HydrophobicContact CB-CD1 4.31Å; E5-I8 HydrophobicContact CG-CD1 4.37Å; E5-I8 PolarHBondContact O-N 3.36Å; I8-M10 VanDerWaalsContact C-N 3.27Å; I8-M10 PolarHBondContact O-N 3.08Å; I8-V11 WeakPolarHBondContact O-CB 3.47Å; I8-V11 PolarHBondContact O-N 3.31Å; I8-V11 VanDerWaalsContact O-N 3.08Å; I8-V12 HydrophobicContact CG2-CG2 3.96Å; I8-V12 WeakPolarHBondContact O-CG2 3.48Å; I8-V12 PolarHBondContact O-N 3.18Å
9W95Very high92.6Very high88 Ų8860.3 Ų60.333%0.33331%0.306SS..Hα-helixtrans-59.8-39-176.672.8-93.5000111.5D6 Q7 V11 V12 V13 F583 V586 V587D6-W9 PolarHBondContact O-NE1 3.24Å; Q7-W9 VanDerWaalsContact C-N 3.25Å; Q7-W9 PolarHBondContact O-N 3Å; W9-V11 VanDerWaalsContact C-N 3.31Å; W9-V11 PolarHBondContact O-N 3Å; W9-V12 PolarHBondContact O-N 3.4Å; W9-V13 HydrophobicContact CE3-CG2 4.3Å; W9-V13 VanDerWaalsContact O-CB 3.26Å; W9-V13 WeakPolarHBondContact O-CB 3.22Å; W9-V13 VanDerWaalsContact O-CG2 3.22Å; W9-V13 WeakPolarHBondContact O-CG2 3.35Å; W9-V13 PolarHBondContact O-N 2.86Å; W9-F583 HydrophobicContact CH2-CD1 4.19Å; W9-F583 HydrophobicContact CH2-CE1 4.17Å; W9-F583 HydrophobicContact CZ3-CE1 4.3Å; W9-V586 HydrophobicContact CZ2-CG1 4.38Å; W9-V587 HydrophobicContact CZ2-CG2 3.87Å
10M96.8Very high92.9Very high1 Ų160.6 Ų60.61%0.00531%0.307CS..Hα-helixtrans-63.2-40.6177.3-71.3-173.3-79.200111.1Q7 I8 G14 V89 M92 A93 V96 L456 V587Q7-M10 HydrophobicContact CB-CE 4.02Å; Q7-M10 HydrophobicContact CG-CE 4.1Å; Q7-M10 PolarHBondContact O-N 2.94Å; I8-M10 VanDerWaalsContact C-N 3.27Å; I8-M10 PolarHBondContact O-N 3.08Å; M10-G14 WeakPolarHBondContact O-CA 3.26Å; M10-G14 PolarHBondContact O-N 3.47Å; M10-V89 HydrophobicContact CE-CG1 3.46Å; M10-V89 VanDerWaalsContact CE-CG1 3.46Å; M10-M92 HydrophobicContact CB-CE 4.38Å; M10-M92 HydrophobicContact CE-CB 4.02Å; M10-M92 HydrophobicContact CE-CE 3.92Å; M10-M92 HydrophobicContact CE-SD 4.36Å; M10-M92 HydrophobicContact SD-CB 3.78Å; M10-A93 HydrophobicContact SD-CB 3.98Å; M10-A93 PolarHBondContact SD-N 2.95Å; M10-V96 HydrophobicContact CB-CG2 4.11Å; M10-V96 WeakPolarHBondContact O-CG2 3.33Å; M10-L456 HydrophobicContact CB-CD1 4.38Å; M10-V587 HydrophobicContact SD-CG2 4.36Å
11V96.7Very high93.1Very high12 Ų1257.7 Ų57.77%0.07329%0.293CS..Hα-helixtrans-64.4-52.2177.4-178.90000109.9I3 I8 W9 V13 G14 F15 M92 W457 A460I3-V11 HydrophobicContact CD1-CG2 4.38Å; I3-V11 HydrophobicContact CG2-CG2 4.36Å; I8-V11 WeakPolarHBondContact O-CB 3.47Å; I8-V11 PolarHBondContact O-N 3.31Å; I8-V11 VanDerWaalsContact O-N 3.08Å; W9-V11 VanDerWaalsContact C-N 3.31Å; W9-V11 PolarHBondContact O-N 3Å; V11-V13 PolarHBondContact O-N 3.13Å; V11-G14 PolarHBondContact O-N 3.16Å; V11-F15 HydrophobicContact CG1-CD2 3.78Å; V11-F15 HydrophobicContact CG1-CE2 3.77Å; V11-F15 VanDerWaalsContact O-CD2 3.27Å; V11-F15 WeakPolarHBondContact O-CD2 3.21Å; V11-F15 PolarHBondContact O-N 2.82Å; V11-M92 HydrophobicContact CG2-CE 3.96Å; V11-W457 HydrophobicContact CG1-CE3 4.33Å; V11-W457 HydrophobicContact CG1-CZ3 4.46Å; V11-A460 HydrophobicContact CG2-CB 3.57Å
12V97.4Very high95.3Very high76 Ų7649.6 Ų49.646%0.46125%0.253SS..Hα-helixtrans-59.2-50.3-179.6174.10000111.4I8 W9 G14 F15 I16I8-V12 HydrophobicContact CG2-CG2 3.96Å; I8-V12 WeakPolarHBondContact O-CG2 3.48Å; I8-V12 PolarHBondContact O-N 3.18Å; W9-V12 PolarHBondContact O-N 3.4Å; V12-G14 VanDerWaalsContact C-N 3.35Å; V12-G14 PolarHBondContact O-N 3.11Å; V12-F15 PolarHBondContact O-N 3.49Å; V12-I16 HydrophobicContact CG1-CD1 4.02Å; V12-I16 WeakPolarHBondContact O-CG1 3.26Å; V12-I16 PolarHBondContact O-N 3.37Å; V12-I16 VanDerWaalsContact O-N 3.11Å
13V97.5Very high95.9Very high52 Ų5244.4 Ų44.432%0.31523%0.225SC..Hα-helixtrans-62.8-43.4178.1171.70000110.6W9 V11 F15 I16 I17 V96W9-V13 HydrophobicContact CE3-CG2 4.3Å; W9-V13 VanDerWaalsContact O-CB 3.26Å; W9-V13 WeakPolarHBondContact O-CB 3.22Å; W9-V13 VanDerWaalsContact O-CG2 3.22Å; W9-V13 WeakPolarHBondContact O-CG2 3.35Å; W9-V13 PolarHBondContact O-N 2.86Å; V11-V13 PolarHBondContact O-N 3.13Å; V13-F15 PolarHBondContact O-N 2.91Å; V13-I16 PolarHBondContact O-N 2.87Å; V13-I17 HydrophobicContact CG1-CD1 3.52Å; V13-I17 HydrophobicContact CG1-CG1 4.12Å; V13-I17 VanDerWaalsContact O-CG1 3.32Å; V13-I17 WeakPolarHBondContact O-CG1 3.23Å; V13-I17 PolarHBondContact O-N 3.26Å; V13-V96 HydrophobicContact CG1-CG1 3.95Å
14G98.3Very high96.2Very high0 Ų043.3 Ų43.30%022%0.219CC..Hα-helixtrans-60-43.3178.100000113M10 V11 V12 A18M10-G14 WeakPolarHBondContact O-CA 3.26Å; M10-G14 PolarHBondContact O-N 3.47Å; V11-G14 PolarHBondContact O-N 3.16Å; V12-G14 VanDerWaalsContact C-N 3.35Å; V12-G14 PolarHBondContact O-N 3.11Å; G14-A18 WeakPolarHBondContact O-CB 3.34Å; G14-A18 PolarHBondContact O-N 3.5Å
15F98.3Very high96.4Very high27 Ų2741.3 Ų41.312%0.11821%0.206CC..Hα-helixtrans-61.9-48.3173.8-89.7-81.9000111.6V11 V12 V13 I17 A18 F19 L453 W457 W474 Y478V11-F15 HydrophobicContact CG1-CD2 3.78Å; V11-F15 HydrophobicContact CG1-CE2 3.77Å; V11-F15 VanDerWaalsContact O-CD2 3.27Å; V11-F15 WeakPolarHBondContact O-CD2 3.21Å; V11-F15 PolarHBondContact O-N 2.82Å; V12-F15 PolarHBondContact O-N 3.49Å; V13-F15 PolarHBondContact O-N 2.91Å; F15-I17 PolarHBondContact O-N 3.43Å; F15-A18 PolarHBondContact O-N 2.9Å; F15-F19 PolarHBondContact O-N 3.25Å; F15-L453 HydrophobicContact CB-CD1 4.46Å; F15-L453 HydrophobicContact CD1-CD1 3.92Å; F15-L453 HydrophobicContact CD1-CD2 3.81Å; F15-L453 HydrophobicContact CD1-CG 4.33Å; F15-L453 HydrophobicContact CD2-CD1 3.89Å; F15-L453 HydrophobicContact CE1-CD1 3.98Å; F15-L453 HydrophobicContact CE1-CD2 3.68Å; F15-L453 HydrophobicContact CE1-CG 4.05Å; F15-L453 HydrophobicContact CE2-CD1 3.94Å; F15-L453 HydrophobicContact CG-CD1 3.85Å; F15-L453 HydrophobicContact CZ-CD1 3.96Å; F15-L453 HydrophobicContact CZ-CD2 4.31Å; F15-L453 HydrophobicContact CZ-CG 4.18Å; F15-W457 AromaticContact CE2-CE3 3.83Å; F15-W457 HydrophobicContact CE2-CE3 3.83Å; F15-W457 HydrophobicContact CE2-CZ3 4.38Å; F15-W457 HydrophobicContact CZ-CD2 4.44Å; F15-W457 HydrophobicContact CZ-CE3 4.07Å; F15-W474 HydrophobicContact CD1-CH2 4.48Å; F15-W474 HydrophobicContact CD1-CZ3 4.48Å; F15-W474 AromaticContact CE1-CH2 3.33Å; F15-W474 HydrophobicContact CE1-CH2 3.33Å; F15-W474 HydrophobicContact CE1-CZ2 4.47Å; F15-W474 AromaticContact CE1-CZ3 3.53Å; F15-W474 HydrophobicContact CE1-CZ3 3.53Å; F15-W474 HydrophobicContact CE2-CH2 4.46Å; F15-W474 AromaticContact CZ-CH2 3.33Å; F15-W474 HydrophobicContact CZ-CH2 3.33Å; F15-W474 HydrophobicContact CZ-CZ2 4.18Å; F15-W474 HydrophobicContact CZ-CZ3 4.05Å; F15-Y478 HydrophobicContact CD1-CD1 4.41Å; F15-Y478 AromaticContact CD1-CE1 3.91Å; F15-Y478 HydrophobicContact CD1-CE1 3.91Å; F15-Y478 HydrophobicContact CD1-CE2 4.5Å; F15-Y478 AromaticContact CD1-CZ 3.93Å; F15-Y478 PolarHBondContact O-OH 3.09Å
16I98.5Very high96.5Very high92 Ų9233.6 Ų33.647%0.47217%0.17SC..Hα-helixtrans-58.5-50.8179-67.1167.3000110.8V12 V13 A18 F19 I20V12-I16 HydrophobicContact CG1-CD1 4.02Å; V12-I16 WeakPolarHBondContact O-CG1 3.26Å; V12-I16 PolarHBondContact O-N 3.37Å; V12-I16 VanDerWaalsContact O-N 3.11Å; V13-I16 PolarHBondContact O-N 2.87Å; I16-A18 PolarHBondContact O-N 2.94Å; I16-F19 PolarHBondContact O-N 3.38Å; I16-I20 HydrophobicContact CG2-CD1 3.86Å; I16-I20 VanDerWaalsContact O-CG1 3.32Å; I16-I20 WeakPolarHBondContact O-CG1 3.32Å; I16-I20 PolarHBondContact O-N 3.13Å
17I98.5Very high96.6Very high35 Ų3528.6 Ų28.618%0.17914%0.143CC..Hα-helixtrans-64.7-41.1-179.5-63.8175.6000110.7V13 F15 F19 I20 L21 V96 L99 C103V13-I17 HydrophobicContact CG1-CD1 3.52Å; V13-I17 HydrophobicContact CG1-CG1 4.12Å; V13-I17 VanDerWaalsContact O-CG1 3.32Å; V13-I17 WeakPolarHBondContact O-CG1 3.23Å; V13-I17 PolarHBondContact O-N 3.26Å; F15-I17 PolarHBondContact O-N 3.43Å; I17-F19 VanDerWaalsContact C-N 3.3Å; I17-F19 PolarHBondContact O-N 3.08Å; I17-I20 PolarHBondContact O-N 3.41Å; I17-L21 WeakPolarHBondContact O-CB 3.27Å; I17-L21 PolarHBondContact O-N 2.78Å; I17-V96 HydrophobicContact CD1-CG1 4.22Å; I17-L99 HydrophobicContact CB-CB 4.44Å; I17-L99 HydrophobicContact CG2-CB 3.74Å; I17-C103 HydrophobicContact CG2-CB 3.86Å
18A98.5Very high96.4Very high0 Ų028.4 Ų28.40%014%0.142CC..Hα-helixtrans-62.1-37.317700000112.3G14 F15 I16 L21 A22 L99 L453G14-A18 WeakPolarHBondContact O-CB 3.34Å; G14-A18 PolarHBondContact O-N 3.5Å; F15-A18 PolarHBondContact O-N 2.9Å; I16-A18 PolarHBondContact O-N 2.94Å; A18-L21 PolarHBondContact O-N 3.43Å; A18-A22 WeakPolarHBondContact O-CB 3.39Å; A18-A22 PolarHBondContact O-N 2.99Å; A18-L99 HydrophobicContact CB-CD1 4.07Å; A18-L99 HydrophobicContact CB-CD2 4.06Å; A18-L453 HydrophobicContact CB-CB 4.08Å; A18-L453 HydrophobicContact CB-CD1 4.08Å; A18-L453 HydrophobicContact CB-CD2 3.73Å; A18-L453 HydrophobicContact CB-CG 4.18Å
19F98.4Very high96Very high58 Ų5825.7 Ų25.725%0.25413%0.129SC..Hα-helixtrans-66.5-42.4174-167.6-94.3000112.3F15 I16 I17 L21 A22 F23 Y478 V481 V485F15-F19 PolarHBondContact O-N 3.25Å; I16-F19 PolarHBondContact O-N 3.38Å; I17-F19 VanDerWaalsContact C-N 3.3Å; I17-F19 PolarHBondContact O-N 3.08Å; F19-L21 VanDerWaalsContact C-N 3.33Å; F19-A22 PolarHBondContact O-N 3.42Å; F19-F23 VanDerWaalsContact O-CB 3.31Å; F19-F23 WeakPolarHBondContact O-CB 3.38Å; F19-F23 PolarHBondContact O-N 2.96Å; F19-Y478 HydrophobicContact CB-CE1 3.86Å; F19-Y478 WeakPolarHBondContact CB-OH 3.41Å; F19-Y478 HydrophobicContact CD2-CD1 4.46Å; F19-Y478 HydrophobicContact CD2-CD2 4.3Å; F19-Y478 AromaticContact CD2-CE1 3.98Å; F19-Y478 HydrophobicContact CD2-CE1 3.98Å; F19-Y478 AromaticContact CD2-CE2 3.8Å; F19-Y478 HydrophobicContact CD2-CE2 3.8Å; F19-Y478 AromaticContact CD2-CZ 3.65Å; F19-Y478 HydrophobicContact CE2-CE2 4.49Å; F19-Y478 HydrophobicContact CG-CE1 4.43Å; F19-V481 HydrophobicContact CE2-CG1 4.21Å; F19-V481 HydrophobicContact CZ-CG1 4.49Å; F19-V485 HydrophobicContact CZ-CG2 4.3Å
20I98Very high95Very high66 Ų6621.6 Ų21.634%0.33811%0.113SC..Hα-helixtrans-67-36.8177.1-60.9167.8000110.6I16 I17 F23 G24 C103 L107I16-I20 HydrophobicContact CG2-CD1 3.86Å; I16-I20 VanDerWaalsContact O-CG1 3.32Å; I16-I20 WeakPolarHBondContact O-CG1 3.32Å; I16-I20 PolarHBondContact O-N 3.13Å; I17-I20 PolarHBondContact O-N 3.41Å; I20-F23 WeakPolarHBondContact O-CB 3.48Å; I20-F23 PolarHBondContact O-N 3.47Å; I20-G24 PolarHBondContact O-N 3.29Å; I20-C103 VanDerWaalsContact CG2-SG 3.5Å; I20-L107 HydrophobicContact CG2-CD1 3.81Å
21L98.1Very high94.2Very high0 Ų021.6 Ų21.60%011%0.113CC..Hα-helixtrans-65-46.7173.2175.955000111I17 A18 F19 F23 G24 I25 L99 C103 L106 A449I17-L21 WeakPolarHBondContact O-CB 3.27Å; I17-L21 PolarHBondContact O-N 2.78Å; A18-L21 PolarHBondContact O-N 3.43Å; F19-L21 VanDerWaalsContact C-N 3.33Å; L21-F23 VanDerWaalsContact C-N 3.29Å; L21-F23 PolarHBondContact O-N 3.05Å; L21-G24 CarbonylContact O-C 3.58Å; L21-G24 WeakPolarHBondContact O-CA 3.38Å; L21-G24 PolarHBondContact O-N 3.46Å; L21-I25 HydrophobicContact CD1-CD1 4.3Å; L21-I25 HydrophobicContact CD1-CG1 4.36Å; L21-I25 HydrophobicContact CG-CD1 4.16Å; L21-I25 WeakPolarHBondContact O-CG1 3.38Å; L21-I25 PolarHBondContact O-N 3.1Å; L21-L99 HydrophobicContact CD2-CD2 3.8Å; L21-C103 HydrophobicContact CB-CB 4.03Å; L21-C103 HydrophobicContact CD1-CB 4.42Å; L21-L106 HydrophobicContact CD1-CB 4.45Å; L21-L106 HydrophobicContact CD1-CD2 3.74Å; L21-A449 HydrophobicContact CB-CB 4.36Å; L21-A449 HydrophobicContact CD2-CB 4.26Å; L21-A449 HydrophobicContact CG-CB 4.08Å
22A97.6Very high93.7Very high0 Ų021.4 Ų21.40%011%0.112CC..Hα-helixtrans-57.5-42.9173.400000111.5A18 F19 G24 I25 G26 A449 I483A18-A22 WeakPolarHBondContact O-CB 3.39Å; A18-A22 PolarHBondContact O-N 2.99Å; F19-A22 PolarHBondContact O-N 3.42Å; A22-G24 PolarHBondContact O-N 3.3Å; A22-I25 WeakPolarHBondContact O-CB 3.49Å; A22-I25 PolarHBondContact O-N 3.01Å; A22-G26 PolarHBondContact O-N 3.33Å; A22-A449 HydrophobicContact CB-CB 3.87Å; A22-I483 HydrophobicContact CB-CG1 4.26Å; A22-I483 VanDerWaalsContact O-CA 3.23Å; A22-I483 WeakPolarHBondContact O-CA 3.2Å; A22-I483 WeakPolarHBondContact O-CG1 3.4Å; A22-I483 PolarHBondContact O-N 2.97Å
23F96.1Very high93.3Very high31 Ų3118 Ų1814%0.1369%0.091CC..Hα-helixtrans-57.7-45.6170.7170.7-73.4000111.8F19 I20 L21 I25 G26 A27 G482 V485 G486 I489 W490F19-F23 VanDerWaalsContact O-CB 3.31Å; F19-F23 WeakPolarHBondContact O-CB 3.38Å; F19-F23 PolarHBondContact O-N 2.96Å; I20-F23 WeakPolarHBondContact O-CB 3.48Å; I20-F23 PolarHBondContact O-N 3.47Å; L21-F23 VanDerWaalsContact C-N 3.29Å; L21-F23 PolarHBondContact O-N 3.05Å; F23-I25 VanDerWaalsContact C-N 3.34Å; F23-I25 PolarHBondContact O-N 3.48Å; F23-G26 PolarHBondContact O-N 2.89Å; F23-A27 WeakPolarHBondContact O-CB 3.34Å; F23-A27 PolarHBondContact O-N 3.35Å; F23-G482 VanDerWaalsContact CA-O 3.26Å; F23-G482 WeakPolarHBondContact CA-O 3.41Å; F23-G482 PolarHBondContact N-O 2.81Å; F23-V485 HydrophobicContact CD2-CB 4.4Å; F23-V485 HydrophobicContact CD2-CG1 3.92Å; F23-V485 HydrophobicContact CE2-CG1 4.2Å; F23-G486 WeakPolarHBondContact O-CA 3.49Å; F23-I489 HydrophobicContact CE2-CB 3.83Å; F23-I489 HydrophobicContact CE2-CD1 4.02Å; F23-I489 HydrophobicContact CE2-CG1 4.36Å; F23-I489 HydrophobicContact CE2-CG2 4.11Å; F23-I489 HydrophobicContact CZ-CB 4.04Å; F23-I489 HydrophobicContact CZ-CG2 3.96Å; F23-W490 HydrophobicContact CE1-CB 4.37Å; F23-W490 AromaticContact CE1-CE3 3.7Å; F23-W490 HydrophobicContact CE1-CE3 3.7Å; F23-W490 HydrophobicContact CE1-CZ3 4.39Å; F23-W490 HydrophobicContact CZ-CB 4.12Å; F23-W490 HydrophobicContact CZ-CE3 4.13Å
24G95.1Very high92.9Very high0 Ų015.5 Ų15.50%08%0.076CC..Hα-helixtrans-60.6-41.5176.600000112.5I20 L21 A22 A27 N28 L106I20-G24 PolarHBondContact O-N 3.29Å; L21-G24 CarbonylContact O-C 3.58Å; L21-G24 WeakPolarHBondContact O-CA 3.38Å; L21-G24 PolarHBondContact O-N 3.46Å; A22-G24 PolarHBondContact O-N 3.3Å; G24-A27 PolarHBondContact O-N 3.02Å; G24-N28 WeakPolarHBondContact O-CB 3.45Å; G24-N28 PolarHBondContact O-N 2.65Å; G24-L106 VanDerWaalsContact C-CD2 3.47Å
25I95Very high92.4Very high0 Ų015.5 Ų15.50%08%0.076CC..Hα-helixtrans-61-48.6175-67.1162.4000109.7L21 A22 F23 A27 N28 D29 L106 D445 N448 A449 I483L21-I25 HydrophobicContact CD1-CD1 4.3Å; L21-I25 HydrophobicContact CD1-CG1 4.36Å; L21-I25 HydrophobicContact CG-CD1 4.16Å; L21-I25 WeakPolarHBondContact O-CG1 3.38Å; L21-I25 PolarHBondContact O-N 3.1Å; A22-I25 WeakPolarHBondContact O-CB 3.49Å; A22-I25 PolarHBondContact O-N 3.01Å; F23-I25 VanDerWaalsContact C-N 3.34Å; F23-I25 PolarHBondContact O-N 3.48Å; I25-A27 VanDerWaalsContact C-N 3.26Å; I25-A27 PolarHBondContact O-N 3.35Å; I25-N28 PolarHBondContact O-N 3.35Å; I25-D29 HydrophobicContact CG2-CB 4.46Å; I25-D29 WeakPolarHBondContact O-CB 3.37Å; I25-D29 PolarHBondContact O-N 2.94Å; I25-L106 HydrophobicContact CB-CD2 4.3Å; I25-L106 HydrophobicContact CG1-CD2 3.52Å; I25-D445 HydrophobicContact CG2-CB 3.95Å; I25-N448 HydrophobicContact CD1-CB 3.72Å; I25-A449 HydrophobicContact CD1-CB 4.13Å; I25-I483 HydrophobicContact CB-CG1 4.34Å; I25-I483 HydrophobicContact CG2-CD1 4.18Å; I25-I483 HydrophobicContact CG2-CG1 4.13Å
26G94Very high92Very high0 Ų014.2 Ų14.20%07%0.07CC..Hα-helixtrans-60.2-34.6175.800000114.3A22 F23 V30 I483A22-G26 PolarHBondContact O-N 3.33Å; F23-G26 PolarHBondContact O-N 2.89Å; G26-V30 WeakPolarHBondContact O-CB 3.34Å; G26-V30 WeakPolarHBondContact O-CG2 3.43Å; G26-I483 VanDerWaalsContact CA-O 3.3Å; G26-I483 WeakPolarHBondContact CA-O 3.49Å
27A91.9Very high91.7Very high1 Ų19.8 Ų9.81%0.0085%0.048CC..Hα-helixtrans-76.4-3717800000113.3F23 G24 I25 T110 W490F23-A27 WeakPolarHBondContact O-CB 3.34Å; F23-A27 PolarHBondContact O-N 3.35Å; G24-A27 PolarHBondContact O-N 3.02Å; I25-A27 VanDerWaalsContact C-N 3.26Å; I25-A27 PolarHBondContact O-N 3.35Å; A27-T110 HydrophobicContact CB-CG2 3.9Å; A27-W490 HydrophobicContact CB-CB 3.79Å; A27-W490 HydrophobicContact CB-CG 4.25Å
28N90Very high91.3Very high1 Ų19.4 Ų9.41%0.0055%0.047CC..Hα-helixtrans-84.7-47.3-177.9-155.4-102.2000112.3G24 I25 L106 T110 L114 V116 V494G24-N28 WeakPolarHBondContact O-CB 3.45Å; G24-N28 PolarHBondContact O-N 2.65Å; I25-N28 PolarHBondContact O-N 3.35Å; N28-L106 HydrophobicContact CB-CD1 3.9Å; N28-T110 WeakPolarHBondContact CB-OG1 3.18Å; N28-T110 PolarHBondContact ND2-OG1 3.32Å; N28-L114 PolarHBondContact ND2-O 2.86Å; N28-V116 WeakPolarHBondContact OD1-CG2 3.47Å; N28-V116 PolarHBondContact OD1-N 3.29Å; N28-V116 PolarHBondContact OD1-O 2.83Å; N28-V494 VanDerWaalsContact O-CG1 3.31Å; N28-V494 WeakPolarHBondContact O-CG1 3.45Å
29D87Confident90.6Very high0 Ų010.2 Ų10.20%06%0.055CC..Hα-helixtrans-99.9-13.4-159.6-62-24.6000113.3I25 A31 N32 H441 T534I25-D29 HydrophobicContact CG2-CB 4.46Å; I25-D29 WeakPolarHBondContact O-CB 3.37Å; I25-D29 PolarHBondContact O-N 2.94Å; D29-A31 PolarHBondContact O-N 3.31Å; D29-A31 VanDerWaalsContact O-N 3.11Å; D29-N32 WeakPolarHBondContact O-CA 3.48Å; D29-N32 WeakPolarHBondContact O-CB 3.37Å; D29-N32 PolarHBondContact O-N 3.2Å; D29-N32 PolarHBondContact O-ND2 3.45Å; D29-N32 VanDerWaalsContact O-ND2 3.07Å; D29-H441 WeakPolarHBondContact CB-NE2 3.41Å; D29-T534 PolarHBondContact OD1-OG1 2.93Å
30V73.5Confident90.1Very high1 Ų18.3 Ų8.31%0.0065%0.05CC..THydrogen-bonded Turntrans-65-22.3178.7173.20000113.2G26 N32 S33 F34 A52 L487G26-V30 WeakPolarHBondContact O-CB 3.34Å; G26-V30 WeakPolarHBondContact O-CG2 3.43Å; V30-N32 PolarHBondContact O-N 3.19Å; V30-N32 VanDerWaalsContact O-N 3.12Å; V30-S33 PolarHBondContact O-N 3.08Å; V30-F34 HydrophobicContact CG1-CD2 3.94Å; V30-F34 PolarHBondContact O-N 3.27Å; V30-F34 VanDerWaalsContact O-N 3.08Å; V30-A52 HydrophobicContact CG1-CB 4.39Å; V30-L487 HydrophobicContact CB-CD1 3.66Å; V30-L487 HydrophobicContact CB-CD2 4.41Å; V30-L487 HydrophobicContact CB-CG 4.42Å; V30-L487 HydrophobicContact CG1-CD1 3.29Å; V30-L487 HydrophobicContact CG1-CD2 3.72Å; V30-L487 HydrophobicContact CG1-CG 4.04Å; V30-L487 HydrophobicContact CG2-CB 4.09Å; V30-L487 HydrophobicContact CG2-CD1 4.05Å; V30-L487 HydrophobicContact CG2-CD2 4.1Å; V30-L487 HydrophobicContact CG2-CG 4.29Å
31A79.5Confident89.7Confident1 Ų113.9 Ų13.91%0.0087%0.072CC..Hα-helixtrans-56-25168.500000112.4D29 S33 G35 V494 I495 L498D29-A31 PolarHBondContact O-N 3.31Å; D29-A31 VanDerWaalsContact O-N 3.11Å; A31-S33 VanDerWaalsContact C-N 3.32Å; A31-S33 PolarHBondContact O-N 2.9Å; A31-G35 WeakPolarHBondContact O-CA 3.2Å; A31-G35 PolarHBondContact O-N 2.99Å; A31-V494 HydrophobicContact CB-CB 4.42Å; A31-V494 HydrophobicContact CB-CG1 4Å; A31-I495 HydrophobicContact CB-CB 4.49Å; A31-I495 HydrophobicContact CB-CG1 3.99Å; A31-L498 HydrophobicContact CB-CB 4.18Å; A31-L498 HydrophobicContact CB-CD1 3.49Å; A31-L498 VanDerWaalsContact CB-CD1 3.49Å; A31-L498 HydrophobicContact CB-CG 4.09Å
32N86.4Confident89.4Confident8 Ų814.9 Ų14.94%0.0438%0.078CC..Hα-helixtrans-65.2-35.1176.5-59.6-31.6000112.2D29 V30 L498 T533 T534 K537D29-N32 WeakPolarHBondContact O-CA 3.48Å; D29-N32 WeakPolarHBondContact O-CB 3.37Å; D29-N32 PolarHBondContact O-N 3.2Å; D29-N32 PolarHBondContact O-ND2 3.45Å; D29-N32 VanDerWaalsContact O-ND2 3.07Å; V30-N32 PolarHBondContact O-N 3.19Å; V30-N32 VanDerWaalsContact O-N 3.12Å; N32-L498 WeakPolarHBondContact OD1-CD1 3.24Å; N32-T533 PolarHBondContact ND2-OG1 2.85Å; N32-T534 WeakPolarHBondContact ND2-CA 3.32Å; N32-T534 PolarHBondContact ND2-N 3.42Å; N32-T534 VanDerWaalsContact ND2-N 3.18Å; N32-T534 PolarHBondContact ND2-OG1 3.49Å; N32-T534 WeakPolarHBondContact OD1-CA 3.31Å; N32-K537 HydrophobicContact CB-CB 4.23Å; N32-K537 WeakPolarHBondContact O-CD 3.33Å; N32-K537 WeakPolarHBondContact O-CE 3.37Å; N32-K537 PolarHBondContact O-NZ 2.92Å
33S88.2Confident89.1Confident4 Ų415.4 Ų15.43%0.0288%0.081CC..Hα-helixtrans-91.1-45.2-178.1-59.80000112.2V30 A31 G437 S438V30-S33 PolarHBondContact O-N 3.08Å; A31-S33 VanDerWaalsContact C-N 3.32Å; A31-S33 PolarHBondContact O-N 2.9Å; S33-G437 PolarHBondContact OG-O 3.49Å; S33-S438 VanDerWaalsContact OG-CA 3.28Å; S33-S438 WeakPolarHBondContact OG-CA 3.05Å; S33-S438 PolarHBondContact OG-N 3.47Å
34F91.1Very high88.9Confident0 Ų017.7 Ų17.70%010%0.097CC..Hα-helixtrans-112-7.7-171.1-66.1-83.9000115V30 T36 S37 V38 L43 A48 L51 A52 A434 S438V30-F34 HydrophobicContact CG1-CD2 3.94Å; V30-F34 PolarHBondContact O-N 3.27Å; V30-F34 VanDerWaalsContact O-N 3.08Å; F34-T36 VanDerWaalsContact C-N 3.28Å; F34-T36 PolarHBondContact O-N 2.79Å; F34-S37 WeakPolarHBondContact CA-OG 3.32Å; F34-S37 PolarHBondContact O-N 3.1Å; F34-S37 PolarHBondContact O-OG 3.14Å; F34-S37 VanDerWaalsContact O-OG 3.09Å; F34-V38 HydrophobicContact CB-CG2 4.44Å; F34-V38 WeakPolarHBondContact O-CB 3.16Å; F34-V38 WeakPolarHBondContact O-CG2 3.49Å; F34-V38 PolarHBondContact O-N 3.06Å; F34-L43 HydrophobicContact CD1-CD1 3.81Å; F34-L43 HydrophobicContact CE1-CD1 4.03Å; F34-A48 HydrophobicContact CB-CB 3.82Å; F34-A48 HydrophobicContact CD1-CB 3.72Å; F34-A48 HydrophobicContact CE1-CB 4.49Å; F34-A48 HydrophobicContact CG-CB 3.81Å; F34-L51 HydrophobicContact CE1-CB 3.93Å; F34-L51 HydrophobicContact CE1-CD1 4.37Å; F34-L51 HydrophobicContact CZ-CB 3.86Å; F34-A52 HydrophobicContact CD2-CB 3.94Å; F34-A52 HydrophobicContact CE2-CB 3.34Å; F34-A52 HydrophobicContact CZ-CB 4.02Å; F34-A434 HydrophobicContact CD1-CB 3.84Å; F34-A434 HydrophobicContact CE1-CB 3.82Å; F34-S438 VanDerWaalsContact CE2-CB 3.49Å
35G86.6Confident88.5Confident0 Ų019.9 Ų19.90%011%0.109CC..Hα-helixtrans-54.9-44.1179.400000112.5A31 G39 G499A31-G35 WeakPolarHBondContact O-CA 3.2Å; A31-G35 PolarHBondContact O-N 2.99Å; G35-G39 PolarHBondContact O-N 2.87Å; G35-G499 WeakPolarHBondContact O-CA 3.47Å
36T89.7Confident88.3Confident0 Ų026.9 Ų26.90%014%0.139CC..Hα-helixtrans-70-34.8179.439.80000113.9F34 A40 Q430 I505 I513 E514 K537F34-T36 VanDerWaalsContact C-N 3.28Å; F34-T36 PolarHBondContact O-N 2.79Å; T36-A40 WeakPolarHBondContact O-CB 3.36Å; T36-A40 PolarHBondContact O-N 2.83Å; T36-Q430 PolarHBondContact O-NE2 2.97Å; T36-I505 HydrophobicContact CG2-CD1 4.06Å; T36-I505 HydrophobicContact CG2-CG1 4.23Å; T36-I505 HydrophobicContact CG2-CG2 4.3Å; T36-I513 HydrophobicContact CG2-CG2 4.07Å; T36-E514 WeakPolarHBondContact CB-OE1 3.39Å; T36-E514 WeakPolarHBondContact OG1-CG 3.35Å; T36-E514 PolarHBondContact OG1-OE1 3.35Å; T36-K537 VanDerWaalsContact CG2-CE 3.46Å; T36-K537 PolarHBondContact OG1-NZ 2.8Å
37S92.2Very high88.3Confident0 Ų031.4 Ų31.40%016%0.16CC..Hα-helixtrans-80.7-32.5179.850.60000112.4F34 K41 V42 L43 Q430F34-S37 WeakPolarHBondContact CA-OG 3.32Å; F34-S37 PolarHBondContact O-N 3.1Å; F34-S37 PolarHBondContact O-OG 3.14Å; F34-S37 VanDerWaalsContact O-OG 3.09Å; S37-K41 PolarHBondContact O-N 2.95Å; S37-V42 WeakPolarHBondContact O-CA 3.26Å; S37-V42 WeakPolarHBondContact O-CB 3.47Å; S37-V42 PolarHBondContact O-N 3.47Å; S37-L43 PolarHBondContact O-N 2.86Å; S37-L43 VanDerWaalsContact O-N 3.12Å; S37-Q430 VanDerWaalsContact CA-NE2 3.25Å
38V90.1Very high88.3Confident27 Ų2731.4 Ų31.416%0.16416%0.16CC..Hα-helixtrans-71.1-46.5170.2176.80000110.5F34 A40 K41 L43 A48 I495F34-V38 HydrophobicContact CB-CG2 4.44Å; F34-V38 WeakPolarHBondContact O-CB 3.16Å; F34-V38 WeakPolarHBondContact O-CG2 3.49Å; F34-V38 PolarHBondContact O-N 3.06Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 3.45Å; V38-K41 WeakPolarHBondContact O-CA 3.35Å; V38-K41 PolarHBondContact O-N 3.45Å; V38-L43 HydrophobicContact CG2-CB 4.49Å; V38-A48 HydrophobicContact CG2-CB 3.82Å; V38-I495 HydrophobicContact CB-CG2 3.94Å; V38-I495 HydrophobicContact CG1-CG2 3.87Å; V38-I495 HydrophobicContact CG2-CG2 4.28Å
39G84.3Confident88.4Confident16 Ų1631.4 Ų31.417%0.16516%0.161CC..Hα-helixtrans-63.2-35.2177.700000113.6G35 K41G35-G39 PolarHBondContact O-N 2.87Å; G39-K41 PolarHBondContact O-N 3.31Å
40A88.4Confident88.8Confident18 Ų1835.2 Ų35.215%0.14918%0.18CC..THydrogen-bonded Turntrans-76.5217200000113.9T36 V38 V42 I505 P507T36-A40 WeakPolarHBondContact O-CB 3.36Å; T36-A40 PolarHBondContact O-N 2.83Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 3.45Å; A40-V42 HydrophobicContact CB-CG2 4.04Å; A40-V42 PolarHBondContact O-N 3.45Å; A40-I505 HydrophobicContact CB-CG2 4.23Å; A40-P507 HydrophobicContact CB-CG 4.33Å
41K88.5Confident89.8Confident183 Ų18337.4 Ų37.480%0.79619%0.192SC*.THydrogen-bonded Turntrans57.927.8-176.6-54.3-178.3-179.9-178.60113.9S37 V38 G39S37-K41 PolarHBondContact O-N 2.95Å; V38-K41 WeakPolarHBondContact O-CA 3.35Å; V38-K41 PolarHBondContact O-N 3.45Å; G39-K41 PolarHBondContact O-N 3.31Å
42V91.9Very high90.5Very high22 Ų2237.4 Ų37.413%0.13319%0.191CC..SBendtrans-82.3-37.3176171.90000111.2S37 A40 S427 Q430 I431 P507S37-V42 WeakPolarHBondContact O-CA 3.26Å; S37-V42 WeakPolarHBondContact O-CB 3.47Å; S37-V42 PolarHBondContact O-N 3.47Å; A40-V42 HydrophobicContact CB-CG2 4.04Å; A40-V42 PolarHBondContact O-N 3.45Å; V42-S427 VanDerWaalsContact CG1-O 3.29Å; V42-S427 WeakPolarHBondContact CG1-O 3.36Å; V42-S427 WeakPolarHBondContact CG2-OG 3.27Å; V42-Q430 HydrophobicContact CG1-CB 4.39Å; V42-I431 HydrophobicContact CG1-CD1 4.03Å; V42-I431 HydrophobicContact CG1-CG1 3.59Å; V42-P507 HydrophobicContact CG2-CB 4.12Å; V42-P507 HydrophobicContact CG2-CG 3.84Å
43L92.4Very high90.9Very high11 Ų1138.9 Ų38.96%0.05820%0.201CC..SBendtrans-121.6140.2175.9-72.2173.2000110.4F34 S37 V38 Q47 L51 I431F34-L43 HydrophobicContact CD1-CD1 3.81Å; F34-L43 HydrophobicContact CE1-CD1 4.03Å; S37-L43 PolarHBondContact O-N 2.86Å; S37-L43 VanDerWaalsContact O-N 3.12Å; V38-L43 HydrophobicContact CG2-CB 4.49Å; L43-Q47 HydrophobicContact CD2-CB 3.94Å; L43-L51 HydrophobicContact CD1-CD1 4.02Å; L43-L51 HydrophobicContact CD2-CD1 4.18Å; L43-I431 HydrophobicContact CD1-CG1 4.28Å; L43-I431 HydrophobicContact CD2-CD1 4Å; L43-I431 HydrophobicContact CD2-CG1 3.83Å; L43-I431 HydrophobicContact CD2-CG2 4.48Å; L43-I431 HydrophobicContact CG-CG1 3.97Å
44T91.5Very high91.2Very high78 Ų7843.6 Ų43.648%0.47923%0.225SC..  trans-70.5154.2160.464.50000109.3K46 Q47 A48T44-K46 PolarHBondContact O-N 3.01Å; T44-Q47 PolarHBondContact O-N 3.38Å; T44-Q47 VanDerWaalsContact O-N 3.11Å; T44-Q47 WeakPolarHBondContact OG1-CB 3.2Å; T44-Q47 VanDerWaalsContact OG1-CD 3.23Å; T44-Q47 WeakPolarHBondContact OG1-CG 3.33Å; T44-Q47 PolarHBondContact OG1-N 2.87Å; T44-Q47 PolarHBondContact OG1-OE1 3.38Å; T44-A48 PolarHBondContact O-N 3.21Å
45L86.9Confident91.5Very high47 Ų4744.3 Ų44.325%0.24623%0.229CC..Hα-helixtrans-55.8-39.6175.9-18068.1000112.6Q47 A48 C49 R492 I495L45-Q47 PolarHBondContact O-N 3.1Å; L45-A48 WeakPolarHBondContact O-CB 3.06Å; L45-A48 PolarHBondContact O-N 3.04Å; L45-C49 PolarHBondContact O-N 3.39Å; L45-C49 PolarHBondContact O-SG 3.47Å; L45-R492 HydrophobicContact CD2-CB 3.8Å; L45-R492 HydrophobicContact CD2-CG 3.3Å; L45-R492 HydrophobicContact CG-CG 4.42Å; L45-I495 HydrophobicContact CD1-CD1 3.43Å; L45-I495 VanDerWaalsContact CD1-CD1 3.43Å; L45-I495 HydrophobicContact CD1-CG2 4.48Å
46K91.1Very high91.9Very high146 Ų14644.3 Ų44.364%0.63523%0.229SC*.Hα-helixtrans-62.4-42.9177.4-174.4177.8180178.50111.8T44 C49 I50T44-K46 PolarHBondContact O-N 3.01Å; K46-C49 PolarHBondContact O-N 3.25Å; K46-I50 HydrophobicContact CG-CD1 4.34Å; K46-I50 WeakPolarHBondContact O-CG1 3.4Å; K46-I50 PolarHBondContact O-N 2.88Å; K46-I50 VanDerWaalsContact O-N 3.17Å
47Q94.2Very high92.1Very high95 Ų9546.9 Ų46.944%0.44424%0.243SC..Hα-helixtrans-65.8-42.2176.5-70.6163.4-39.900111.4L43 T44 L45 C49 I50 L51L43-Q47 HydrophobicContact CD2-CB 3.94Å; T44-Q47 PolarHBondContact O-N 3.38Å; T44-Q47 VanDerWaalsContact O-N 3.11Å; T44-Q47 WeakPolarHBondContact OG1-CB 3.2Å; T44-Q47 VanDerWaalsContact OG1-CD 3.23Å; T44-Q47 WeakPolarHBondContact OG1-CG 3.33Å; T44-Q47 PolarHBondContact OG1-N 2.87Å; T44-Q47 PolarHBondContact OG1-OE1 3.38Å; L45-Q47 PolarHBondContact O-N 3.1Å; Q47-C49 VanDerWaalsContact C-N 3.34Å; Q47-C49 PolarHBondContact O-N 3.24Å; Q47-I50 PolarHBondContact O-N 2.78Å; Q47-L51 WeakPolarHBondContact O-CG 3.24Å; Q47-L51 PolarHBondContact O-N 3.04Å
48A91.9Very high92.3Very high1 Ų149.2 Ų49.21%0.00826%0.259CS..Hα-helixtrans-57.4-46.4174.600000111.3F34 V38 T44 L45 I50 L51 A52F34-A48 HydrophobicContact CB-CB 3.82Å; F34-A48 HydrophobicContact CD1-CB 3.72Å; F34-A48 HydrophobicContact CE1-CB 4.49Å; F34-A48 HydrophobicContact CG-CB 3.81Å; V38-A48 HydrophobicContact CG2-CB 3.82Å; T44-A48 PolarHBondContact O-N 3.21Å; L45-A48 WeakPolarHBondContact O-CB 3.06Å; L45-A48 PolarHBondContact O-N 3.04Å; A48-I50 PolarHBondContact O-N 3.08Å; A48-L51 PolarHBondContact O-N 3.24Å; A48-A52 WeakPolarHBondContact O-CB 3.41Å; A48-A52 PolarHBondContact O-N 3.16Å
49C91.9Very high92.6Very high2 Ų247.9 Ų47.91%0.01425%0.251CS..Hα-helixtrans-61.5-40.1177.9-65.20000113.5L45 K46 Q47 T53 L487 W488L45-C49 PolarHBondContact O-N 3.39Å; L45-C49 PolarHBondContact O-SG 3.47Å; K46-C49 PolarHBondContact O-N 3.25Å; Q47-C49 VanDerWaalsContact C-N 3.34Å; Q47-C49 PolarHBondContact O-N 3.24Å; C49-T53 WeakPolarHBondContact O-CB 3.27Å; C49-T53 PolarHBondContact O-N 3.48Å; C49-T53 PolarHBondContact O-OG1 3.18Å; C49-L487 HydrophobicContact CB-CD2 4.28Å; C49-L487 HydrophobicContact CB-CG 4.34Å; C49-W488 HydrophobicContact CB-CD2 3.94Å; C49-W488 HydrophobicContact CB-CE3 4.26Å; C49-W488 HydrophobicContact CB-CH2 4.16Å; C49-W488 HydrophobicContact CB-CZ2 3.82Å; C49-W488 HydrophobicContact CB-CZ3 4.37Å
50I94.7Very high93.1Very high79 Ų7947.1 Ų47.141%0.40524%0.243SC..Hα-helixtrans-64.9-49.6178.1-67165.6000110.5K46 Q47 A48 T53 I54 W488K46-I50 HydrophobicContact CG-CD1 4.34Å; K46-I50 WeakPolarHBondContact O-CG1 3.4Å; K46-I50 PolarHBondContact O-N 2.88Å; K46-I50 VanDerWaalsContact O-N 3.17Å; Q47-I50 PolarHBondContact O-N 2.78Å; A48-I50 PolarHBondContact O-N 3.08Å; I50-T53 PolarHBondContact O-N 2.88Å; I50-I54 PolarHBondContact O-N 2.85Å; I50-W488 HydrophobicContact CG1-CH2 3.9Å; I50-W488 HydrophobicContact CG1-CZ2 3.82Å
51L94.8Very high93.4Very high48 Ų4847.2 Ų47.225%0.25124%0.242SC..Hα-helixtrans-63-45179.6-69.2174.4000111.2F34 L43 Q47 A48 T53 I54 C55 I431 V435F34-L51 HydrophobicContact CE1-CB 3.93Å; F34-L51 HydrophobicContact CE1-CD1 4.37Å; F34-L51 HydrophobicContact CZ-CB 3.86Å; L43-L51 HydrophobicContact CD1-CD1 4.02Å; L43-L51 HydrophobicContact CD2-CD1 4.18Å; Q47-L51 WeakPolarHBondContact O-CG 3.24Å; Q47-L51 PolarHBondContact O-N 3.04Å; A48-L51 PolarHBondContact O-N 3.24Å; L51-T53 PolarHBondContact O-N 3.4Å; L51-I54 PolarHBondContact O-N 2.88Å; L51-C55 WeakPolarHBondContact O-CB 3.19Å; L51-C55 PolarHBondContact O-N 3.37Å; L51-C55 PolarHBondContact O-SG 2.99Å; L51-I431 HydrophobicContact CD1-CG2 3.98Å; L51-V435 HydrophobicContact CB-CG2 4.23Å; L51-V435 HydrophobicContact CD1-CG2 4.21Å; L51-V435 HydrophobicContact CD2-CG2 4.2Å; L51-V435 HydrophobicContact CG-CG2 4.45Å
52A93.2Very high93.6Very high0 Ų040.2 Ų40.20%021%0.213CC..Hα-helixtrans-56.5-48.9176.300000111.7V30 F34 A48 I54 C55 E56 L487V30-A52 HydrophobicContact CG1-CB 4.39Å; F34-A52 HydrophobicContact CD2-CB 3.94Å; F34-A52 HydrophobicContact CE2-CB 3.34Å; F34-A52 HydrophobicContact CZ-CB 4.02Å; A48-A52 WeakPolarHBondContact O-CB 3.41Å; A48-A52 PolarHBondContact O-N 3.16Å; A52-I54 PolarHBondContact O-N 2.87Å; A52-C55 PolarHBondContact O-N 3.07Å; A52-E56 HydrophobicContact CB-CG 4.37Å; A52-E56 VanDerWaalsContact O-CB 3.22Å; A52-E56 WeakPolarHBondContact O-CB 3.25Å; A52-E56 WeakPolarHBondContact O-CG 3.47Å; A52-E56 PolarHBondContact O-N 3.29Å; A52-L487 HydrophobicContact CB-CD2 3.19Å
53T94.7Very high93.7Very high39 Ų3939.6 Ų39.624%0.23921%0.209CC..Hα-helixtrans-53.3-44.4-179-58.30000111.7C49 I50 L51 L57 W488C49-T53 WeakPolarHBondContact O-CB 3.27Å; C49-T53 PolarHBondContact O-N 3.48Å; C49-T53 PolarHBondContact O-OG1 3.18Å; I50-T53 PolarHBondContact O-N 2.88Å; L51-T53 PolarHBondContact O-N 3.4Å; T53-L57 WeakPolarHBondContact O-CB 3.47Å; T53-L57 PolarHBondContact O-N 3.47Å; T53-W488 PolarHBondContact OG1-NE1 3.27Å
54I96.1Very high93.8Very high104 Ų10439.1 Ų39.153%0.53321%0.206SC..Hα-helixtrans-68.9-45.5179.5-61169.1000110.7I50 L51 A52 S58I50-I54 PolarHBondContact O-N 2.85Å; L51-I54 PolarHBondContact O-N 2.88Å; A52-I54 PolarHBondContact O-N 2.87Å; I54-S58 VanDerWaalsContact O-CB 3.28Å; I54-S58 WeakPolarHBondContact O-CB 3.48Å; I54-S58 PolarHBondContact O-N 3.5Å; I54-S58 PolarHBondContact O-OG 3.45Å
55C95.4Very high93.8Very high15 Ų1536.2 Ų36.210%0.10119%0.19CC..Hα-helixtrans-77.2-44.3-171.7-590000112.6L51 A52 S58 G59 V435 F439L51-C55 WeakPolarHBondContact O-CB 3.19Å; L51-C55 PolarHBondContact O-N 3.37Å; L51-C55 PolarHBondContact O-SG 2.99Å; A52-C55 PolarHBondContact O-N 3.07Å; C55-S58 PolarHBondContact O-N 2.81Å; C55-G59 PolarHBondContact O-N 2.85Å; C55-V435 VanDerWaalsContact SG-CG1 3.57Å; C55-F439 HydrophobicContact CB-CB 4.41Å
56E95Very high94Very high0 Ų036.8 Ų36.80%019%0.191CC..Hα-helixtrans-59.2-46.8174.9-66.3-59.8150.900110.8A52 G59 S60 S438 H441 G442 I483A52-E56 HydrophobicContact CB-CG 4.37Å; A52-E56 VanDerWaalsContact O-CB 3.22Å; A52-E56 WeakPolarHBondContact O-CB 3.25Å; A52-E56 WeakPolarHBondContact O-CG 3.47Å; A52-E56 PolarHBondContact O-N 3.29Å; E56-G59 PolarHBondContact O-N 3.31Å; E56-S60 VanDerWaalsContact O-CB 3.31Å; E56-S60 WeakPolarHBondContact O-CB 3.34Å; E56-S60 PolarHBondContact O-N 2.83Å; E56-S438 VanDerWaalsContact CD-O 3.29Å; E56-S438 VanDerWaalsContact CD-OG 3.28Å; E56-S438 WeakPolarHBondContact CG-OG 3.33Å; E56-S438 WeakPolarHBondContact OE1-CA 3.4Å; E56-S438 WeakPolarHBondContact OE1-CB 3.37Å; E56-S438 VanDerWaalsContact OE1-O 3.13Å; E56-S438 PolarHBondContact OE1-OG 3.49Å; E56-H441 VanDerWaalsContact CD-ND1 3.27Å; E56-H441 IonicContact OE1-CG 3.09Å; E56-H441 IonicContact OE1-ND1 2.9Å; E56-H441 PolarHBondContact OE1-ND1 2.87Å; E56-H441 IonicContact OE2-CE1 3.23Å; E56-H441 IonicContact OE2-CG 2.73Å; E56-H441 IonicContact OE2-ND1 3.68Å; E56-H441 PolarHBondContact OE2-ND1 3.16Å; E56-G442 WeakPolarHBondContact OE2-CA 3.47Å; E56-G442 PolarHBondContact OE2-N 2.73Å; E56-I483 HydrophobicContact CB-CG2 4.22Å; E56-I483 HydrophobicContact CG-CG2 4.1Å
57L95.7Very high94.1Very high54 Ų5429.9 Ų29.928%0.28316%0.161SC..Hα-helixtrans-64.8-44.2178.7-176.261.9000111.4T53 S60 V61 V477 V481T53-L57 WeakPolarHBondContact O-CB 3.47Å; T53-L57 PolarHBondContact O-N 3.47Å; L57-S60 PolarHBondContact O-N 2.84Å; L57-V61 WeakPolarHBondContact O-CG2 3.25Å; L57-V61 PolarHBondContact O-N 2.91Å; L57-V61 VanDerWaalsContact O-N 3.14Å; L57-V477 HydrophobicContact CD1-CG1 4.25Å; L57-V481 HydrophobicContact CD1-CG2 4.38Å
58S95.4Very high94.1Very high48 Ų4825.4 Ų25.434%0.33614%0.14SC..Hα-helixtrans-63-43.3176.3-59.10000111.5I54 C55 V61 L62I54-S58 VanDerWaalsContact O-CB 3.28Å; I54-S58 WeakPolarHBondContact O-CB 3.48Å; I54-S58 PolarHBondContact O-N 3.5Å; I54-S58 PolarHBondContact O-OG 3.45Å; C55-S58 PolarHBondContact O-N 2.81Å; S58-V61 PolarHBondContact O-N 3.43Å; S58-L62 VanDerWaalsContact O-CB 3.25Å; S58-L62 WeakPolarHBondContact O-CB 3.27Å; S58-L62 VanDerWaalsContact O-CG 3.23Å; S58-L62 WeakPolarHBondContact O-CG 3.33Å; S58-L62 PolarHBondContact O-N 3.1Å
59G95.5Very high94.1Very high0 Ų027.5 Ų27.50%015%0.151CC..Hα-helixtrans-63-46.2177.900000112.1C55 E56 V61 L62 L63 G64 F439 G443C55-G59 PolarHBondContact O-N 2.85Å; E56-G59 PolarHBondContact O-N 3.31Å; G59-V61 VanDerWaalsContact C-N 3.34Å; G59-V61 PolarHBondContact O-N 3.48Å; G59-L62 PolarHBondContact O-N 2.84Å; G59-L63 WeakPolarHBondContact O-CB 3.33Å; G59-L63 PolarHBondContact O-N 3.33Å; G59-G64 PolarHBondContact O-N 3.37Å; G59-F439 VanDerWaalsContact CA-CD2 3.5Å; G59-F439 VanDerWaalsContact CA-CE2 3.44Å; G59-F439 VanDerWaalsContact CA-O 3.31Å; G59-F439 WeakPolarHBondContact CA-O 3.47Å; G59-G443 WeakPolarHBondContact O-CA 3.32Å
60S95.2Very high94.1Very high0 Ų029.1 Ų29.10%016%0.161CC..Hα-helixtrans-54.1-50.3175.8170.40000111.6E56 L57 G64 G442 V446 L476E56-S60 VanDerWaalsContact O-CB 3.31Å; E56-S60 WeakPolarHBondContact O-CB 3.34Å; E56-S60 PolarHBondContact O-N 2.83Å; L57-S60 PolarHBondContact O-N 2.84Å; S60-G64 VanDerWaalsContact O-CA 3.32Å; S60-G64 WeakPolarHBondContact O-CA 3.33Å; S60-G64 PolarHBondContact O-N 2.89Å; S60-G442 VanDerWaalsContact CA-O 3.28Å; S60-G442 WeakPolarHBondContact CA-O 3.38Å; S60-G442 PolarHBondContact N-O 3.5Å; S60-V446 WeakPolarHBondContact OG-CG1 3.21Å; S60-V446 WeakPolarHBondContact OG-CG2 3.31Å; S60-L476 PolarHBondContact OG-O 3.49Å
61V94.6Very high94.1Very high20 Ų2025.5 Ų25.512%0.12114%0.142CC..Hα-helixtrans-70.8-41.9-178.1174.10000112L57 S58 G59 M209 I473 V477L57-V61 WeakPolarHBondContact O-CG2 3.25Å; L57-V61 PolarHBondContact O-N 2.91Å; L57-V61 VanDerWaalsContact O-N 3.14Å; S58-V61 PolarHBondContact O-N 3.43Å; G59-V61 VanDerWaalsContact C-N 3.34Å; G59-V61 PolarHBondContact O-N 3.48Å; V61-M209 HydrophobicContact CG1-CE 4.13Å; V61-M209 WeakPolarHBondContact O-CE 3.35Å; V61-I473 HydrophobicContact CG1-CD1 3.75Å; V61-I473 HydrophobicContact CG1-CG1 3.89Å; V61-V477 HydrophobicContact CG2-CG2 3.6Å
62L94.5Very high94Very high35 Ų3524.6 Ų24.618%0.18314%0.135CC..Hα-helixtrans-88.1-21.5-170.4-63.1176.9000114.1S58 G59 I202 P207 L210 F212 F439S58-L62 VanDerWaalsContact O-CB 3.25Å; S58-L62 WeakPolarHBondContact O-CB 3.27Å; S58-L62 VanDerWaalsContact O-CG 3.23Å; S58-L62 WeakPolarHBondContact O-CG 3.33Å; S58-L62 PolarHBondContact O-N 3.1Å; G59-L62 PolarHBondContact O-N 2.84Å; L62-I202 HydrophobicContact CB-CG1 4.28Å; L62-I202 HydrophobicContact CB-CG2 4.48Å; L62-I202 HydrophobicContact CD1-CD1 3.9Å; L62-I202 HydrophobicContact CD1-CG1 4.11Å; L62-I202 HydrophobicContact CD1-CG2 4.25Å; L62-I202 HydrophobicContact CD2-CG2 4.32Å; L62-P207 WeakPolarHBondContact O-CD 3.44Å; L62-L210 HydrophobicContact CD2-CD1 3.49Å; L62-L210 VanDerWaalsContact CD2-CD1 3.49Å; L62-F212 HydrophobicContact CD2-CE2 4.24Å; L62-F439 HydrophobicContact CB-CE2 4.32Å; L62-F439 HydrophobicContact CB-CZ 4.13Å; L62-F439 HydrophobicContact CD1-CE2 4.05Å; L62-F439 HydrophobicContact CD1-CZ 4.26Å
63L93.4Very high93.8Very high10 Ų1029.6 Ų29.65%0.05216%0.157CC..Hα-helixtrans-128.1-21.4-175.4-64.2179.1000114.5G59 A65 F439 L522 K526G59-L63 WeakPolarHBondContact O-CB 3.33Å; G59-L63 PolarHBondContact O-N 3.33Å; L63-A65 VanDerWaalsContact C-N 3.31Å; L63-A65 PolarHBondContact O-N 3.35Å; L63-F439 HydrophobicContact CD1-CD1 4.02Å; L63-F439 HydrophobicContact CD1-CE1 3.37Å; L63-F439 HydrophobicContact CD1-CZ 3.86Å; L63-F439 HydrophobicContact CG-CE1 4.04Å; L63-F439 HydrophobicContact CG-CZ 4.04Å; L63-L522 HydrophobicContact CD1-CD1 3.61Å; L63-K526 HydrophobicContact CD2-CD 4.09Å
64G93.4Very high93.6Very high0 Ų028.3 Ų28.30%015%0.151CC..Hα-helixtrans-61.9-27-169.900000116.6G59 S60 K66 S68 G443 S447G59-G64 PolarHBondContact O-N 3.37Å; S60-G64 VanDerWaalsContact O-CA 3.32Å; S60-G64 WeakPolarHBondContact O-CA 3.33Å; S60-G64 PolarHBondContact O-N 2.89Å; G64-K66 PolarHBondContact O-N 3.4Å; G64-S68 VanDerWaalsContact O-CB 3.29Å; G64-S68 WeakPolarHBondContact O-CB 3.44Å; G64-S68 PolarHBondContact O-N 3.31Å; G64-S68 PolarHBondContact O-OG 2.95Å; G64-G443 VanDerWaalsContact CA-O 3.29Å; G64-G443 WeakPolarHBondContact CA-O 3.39Å; G64-S447 PolarHBondContact O-OG 3.31Å; G64-S447 VanDerWaalsContact O-OG 3.1Å
65A91.3Very high93.5Very high17 Ų1723.3 Ų23.314%0.1413%0.126CC..Hα-helixtrans-63-36.6-170.600000114.2L63 N69 L476L63-A65 VanDerWaalsContact C-N 3.31Å; L63-A65 PolarHBondContact O-N 3.35Å; A65-N69 PolarHBondContact O-N 2.98Å; A65-N69 VanDerWaalsContact O-N 3.15Å; A65-N69 PolarHBondContact O-ND2 3.3Å; A65-L476 HydrophobicContact CB-CD1 4.37Å
66K91.6Very high93.4Very high60 Ų6022.8 Ų22.826%0.26112%0.122SC..Hα-helixtrans-69.8-48.6-177.4-77-175.1169.7-176.10111.7G64 N69 T70 E205 K526G64-K66 PolarHBondContact O-N 3.4Å; K66-N69 WeakPolarHBondContact O-CB 3.32Å; K66-N69 PolarHBondContact O-N 3.47Å; K66-T70 PolarHBondContact O-N 3.42Å; K66-E205 WeakPolarHBondContact CE-O 3.26Å; K66-E205 VanDerWaalsContact NZ-CB 3.28Å; K66-E205 PolarHBondContact NZ-O 2.63Å; K66-E205 IonicContact NZ-OE2 2.81Å; K66-E205 PolarHBondContact NZ-OE2 2.99Å; K66-K526 VanDerWaalsContact CD-O 3.25Å; K66-K526 WeakPolarHBondContact CD-O 3.37Å; K66-K526 PolarHBondContact NZ-O 3.21Å
67V94.3Very high93.3Very high0 Ų023.9 Ų23.90%013%0.13CC..Hα-helixtrans-67.1-39.4179.1-177.80000110.6N69 T70 I71 S447 P530V67-N69 VanDerWaalsContact C-N 3.27Å; V67-N69 PolarHBondContact O-N 3.37Å; V67-T70 WeakPolarHBondContact O-CB 3.46Å; V67-T70 PolarHBondContact O-N 3.05Å; V67-I71 PolarHBondContact O-N 2.98Å; V67-S447 VanDerWaalsContact CB-OG 3.3Å; V67-S447 WeakPolarHBondContact CB-OG 3.4Å; V67-P530 HydrophobicContact CG1-CB 3.73Å
68S94.2Very high93Very high1 Ų122 Ų221%0.00712%0.121CC..Hα-helixtrans-57.4-39.5174.7-67.50000112.4G64 I71 R72 S447G64-S68 VanDerWaalsContact O-CB 3.29Å; G64-S68 WeakPolarHBondContact O-CB 3.44Å; G64-S68 PolarHBondContact O-N 3.31Å; G64-S68 PolarHBondContact O-OG 2.95Å; S68-I71 PolarHBondContact O-N 3.42Å; S68-R72 WeakPolarHBondContact O-CB 3.26Å; S68-R72 PolarHBondContact O-N 3.09Å; S68-S447 PolarHBondContact N-OG 2.86Å; S68-S447 WeakPolarHBondContact OG-CA 3.44Å; S68-S447 WeakPolarHBondContact OG-CB 3.2Å; S68-S447 PolarHBondContact OG-OG 3.17Å
69N90.7Very high92.7Very high45 Ų4524 Ų2424%0.24113%0.125CC..Hα-helixtrans-64.1-41.7174.2-81.6-52.2000112.2A65 K66 V67 R72 K73A65-N69 PolarHBondContact O-N 2.98Å; A65-N69 VanDerWaalsContact O-N 3.15Å; A65-N69 PolarHBondContact O-ND2 3.3Å; K66-N69 WeakPolarHBondContact O-CB 3.32Å; K66-N69 PolarHBondContact O-N 3.47Å; V67-N69 VanDerWaalsContact C-N 3.27Å; V67-N69 PolarHBondContact O-N 3.37Å; N69-R72 PolarHBondContact O-N 2.83Å; N69-R72 PolarHBondContact OD1-NH2 3.2Å; N69-K73 WeakPolarHBondContact O-CG 3.35Å; N69-K73 PolarHBondContact O-N 2.87Å; N69-K73 VanDerWaalsContact O-N 3.11Å
70T93Very high92.6Very high37 Ų3726.5 Ų26.523%0.22714%0.138CC..Hα-helixtrans-64.8-41.3176.6-57.90000112.2K66 V67 R72 G74 I147 G528 P530K66-T70 PolarHBondContact O-N 3.42Å; V67-T70 WeakPolarHBondContact O-CB 3.46Å; V67-T70 PolarHBondContact O-N 3.05Å; T70-R72 VanDerWaalsContact C-N 3.3Å; T70-R72 PolarHBondContact O-N 3.41Å; T70-G74 WeakPolarHBondContact O-CA 3.18Å; T70-G74 PolarHBondContact O-N 3.14Å; T70-I147 HydrophobicContact CG2-CD1 4.19Å; T70-G528 WeakPolarHBondContact CB-O 3.5Å; T70-G528 PolarHBondContact OG1-O 3.4Å; T70-P530 HydrophobicContact CG2-CG 4.1Å
71I94.2Very high92.4Very high2 Ų226.6 Ų26.61%0.0114%0.138CC..Hα-helixtrans-61.1-40.8174.1-65.5-64.2000111V67 S68 I75 I122 V123 P452 P530V67-I71 PolarHBondContact O-N 2.98Å; S68-I71 PolarHBondContact O-N 3.42Å; I71-I75 HydrophobicContact CD1-CD1 4.22Å; I71-I122 HydrophobicContact CD1-CG2 4.04Å; I71-I122 HydrophobicContact CG2-CG1 4.21Å; I71-V123 HydrophobicContact CD1-CG2 4Å; I71-P452 HydrophobicContact CG2-CG 4.13Å; I71-P530 HydrophobicContact CD1-CB 3.54Å; I71-P530 HydrophobicContact CD1-CG 3.76Å; I71-P530 HydrophobicContact CG1-CB 4.15Å; I71-P530 HydrophobicContact CG1-CG 4.47Å
72R91.9Very high92.3Very high29 Ų2930.8 Ų30.811%0.10916%0.156CC..Hα-helixtrans-65.7-44.4-178-178.6174.364124.4-9.3114S68 N69 T70 L458 S467S68-R72 WeakPolarHBondContact O-CB 3.26Å; S68-R72 PolarHBondContact O-N 3.09Å; N69-R72 PolarHBondContact O-N 2.83Å; N69-R72 PolarHBondContact OD1-NH2 3.2Å; T70-R72 VanDerWaalsContact C-N 3.3Å; T70-R72 PolarHBondContact O-N 3.41Å; R72-L458 VanDerWaalsContact NH1-CD1 3.35Å; R72-S467 PolarHBondContact NH1-O 2.94Å
73K89.8Confident92Very high106 Ų10634.3 Ų34.346%0.46118%0.18SC..Hα-helixtrans-131.6-3.5-169.170.4179.4178.5177.10116N69 Q140N69-K73 WeakPolarHBondContact O-CG 3.35Å; N69-K73 PolarHBondContact O-N 2.87Å; N69-K73 VanDerWaalsContact O-N 3.11Å; K73-Q140 VanDerWaalsContact O-CD 3.23Å; K73-Q140 PolarHBondContact O-NE2 3.04Å; K73-Q140 PolarHBondContact O-OE1 2.97Å; K73-Q140 VanDerWaalsContact O-OE1 3.05Å
74G91.3Very high91.9Very high11 Ų1137 Ų3711%0.11319%0.194CC..SBendtrans-92.5-5.2-175.800000114.7T70 G143T70-G74 WeakPolarHBondContact O-CA 3.18Å; T70-G74 PolarHBondContact O-N 3.14Å; G74-G143 WeakPolarHBondContact O-CA 3.31Å
75I93.8Very high91.7Very high0 Ų044.3 Ų44.30%023%0.233CC..SBendtrans-108.8-45-177.3-55.6167.3000110.3I71 V123 T126 M127 Q140 I147I71-I75 HydrophobicContact CD1-CD1 4.22Å; I75-V123 HydrophobicContact CD1-CB 4.12Å; I75-V123 HydrophobicContact CD1-CG1 4.13Å; I75-V123 HydrophobicContact CD1-CG2 3.62Å; I75-V123 HydrophobicContact CG2-CG1 4.49Å; I75-T126 HydrophobicContact CB-CG2 3.88Å; I75-T126 HydrophobicContact CD1-CG2 4.12Å; I75-T126 HydrophobicContact CG2-CG2 3.79Å; I75-M127 HydrophobicContact CG2-CG 3.8Å; I75-Q140 PolarHBondContact O-N 3.14Å; I75-I147 HydrophobicContact CD1-CD1 4.48Å; I75-I147 HydrophobicContact CG1-CD1 3.79Å
76V93.2Very high91.6Very high4 Ų448.8 Ų48.82%0.02425%0.254CS..BIsolated β-bridgetrans-120.9135.3-177.8175.10000108.9V78 F81 T126 F129 S130 A138 I139V76-V78 PolarHBondContact O-N 2.9Å; V76-F81 HydrophobicContact CG1-CE2 3.96Å; V76-T126 HydrophobicContact CB-CG2 4.48Å; V76-T126 HydrophobicContact CG2-CG2 3.66Å; V76-F129 HydrophobicContact CG2-CZ 4.4Å; V76-S130 VanDerWaalsContact CG2-CB 3.47Å; V76-A138 CarbonylContact C-O 3.45Å; V76-A138 WeakPolarHBondContact CA-O 3.32Å; V76-A138 HydrophobicContact CG1-CB 4.2Å; V76-I139 HydrophobicContact CG2-CD1 4.49Å
77S92.1Very high91.7Very high23 Ų2346 Ų4616%0.16124%0.242CC..  trans-73.592174.1-61.30000109.3E79 L80 A138 Q140S77-E79 WeakPolarHBondContact CA-OE2 3.42Å; S77-E79 PolarHBondContact O-N 2.81Å; S77-L80 PolarHBondContact O-N 3.01Å; S77-A138 PolarHBondContact N-O 3.45Å; S77-Q140 WeakPolarHBondContact OG-CG 3.32Å
78V90.6Very high91.6Very high14 Ų1448.1 Ų48.19%0.08525%0.252CS..G310 helixtrans-60-25.7-179.7-61.20000111.4V76 L80 F81 L91 V465V76-V78 PolarHBondContact O-N 2.9Å; V78-L80 VanDerWaalsContact C-N 3.26Å; V78-L80 PolarHBondContact O-N 3.17Å; V78-F81 WeakPolarHBondContact O-CB 3.42Å; V78-F81 PolarHBondContact O-N 3.43Å; V78-L91 HydrophobicContact CB-CD2 3.98Å; V78-L91 HydrophobicContact CG1-CD2 4.06Å; V78-V465 HydrophobicContact CB-CG1 3.57Å; V78-V465 HydrophobicContact CG2-CG1 3.91Å; V78-V465 WeakPolarHBondContact O-CG1 3.44Å
79E89Confident91.6Very high90 Ų9048.6 Ų48.642%0.42126%0.255SS..G310 helixtrans-62-29.6179.3-57.576.5-165.900112.7S77 F81 Q82S77-E79 WeakPolarHBondContact CA-OE2 3.42Å; S77-E79 PolarHBondContact O-N 2.81Å; E79-F81 PolarHBondContact O-N 3.47Å; E79-Q82 VanDerWaalsContact O-CB 3.32Å; E79-Q82 WeakPolarHBondContact O-CB 3.32Å; E79-Q82 PolarHBondContact O-N 3.44Å
80L91.6Very high91.8Very high53 Ų5347.8 Ų47.828%0.27725%0.25SS..G310 helixtrans-65-24.6174.7-83109.9000112.8S77 V78 Q82 T83 F134 A138S77-L80 PolarHBondContact O-N 3.01Å; V78-L80 VanDerWaalsContact C-N 3.26Å; V78-L80 PolarHBondContact O-N 3.17Å; L80-Q82 PolarHBondContact O-N 3.27Å; L80-T83 PolarHBondContact O-N 3.11Å; L80-T83 VanDerWaalsContact O-N 3.07Å; L80-T83 PolarHBondContact O-OG1 3.07Å; L80-F134 HydrophobicContact CB-CD1 4.43Å; L80-F134 HydrophobicContact CB-CE1 3.93Å; L80-F134 HydrophobicContact CB-CE2 4.28Å; L80-F134 HydrophobicContact CB-CZ 3.86Å; L80-F134 HydrophobicContact CD2-CD1 4.18Å; L80-F134 HydrophobicContact CD2-CE1 4.25Å; L80-F134 WeakPolarHBondContact O-CZ 3.46Å; L80-A138 HydrophobicContact CD1-CB 4.38Å
81F92.8Very high91.9Very high1 Ų146.1 Ų46.10%0.00424%0.24CC..G310 helixtrans-69.5-14.6174.8-71.5-97.6000112.6V76 V78 E79 T83 G87 L90 L91 F129 I133 F134 V465V76-F81 HydrophobicContact CG1-CE2 3.96Å; V78-F81 WeakPolarHBondContact O-CB 3.42Å; V78-F81 PolarHBondContact O-N 3.43Å; E79-F81 PolarHBondContact O-N 3.47Å; F81-T83 PolarHBondContact O-N 3.15Å; F81-G87 WeakPolarHBondContact CD1-O 3.37Å; F81-G87 VanDerWaalsContact O-CA 3.24Å; F81-G87 WeakPolarHBondContact O-CA 3.37Å; F81-L90 HydrophobicContact CD1-CB 4.35Å; F81-L90 HydrophobicContact CE1-CB 4.36Å; F81-L90 HydrophobicContact CE1-CD2 4.37Å; F81-L90 HydrophobicContact CE1-CG 4.31Å; F81-L91 HydrophobicContact CB-CB 4.34Å; F81-L91 HydrophobicContact CB-CD2 4.41Å; F81-L91 HydrophobicContact CD1-CB 3.6Å; F81-L91 HydrophobicContact CD1-CD1 4.43Å; F81-L91 HydrophobicContact CD1-CG 4.47Å; F81-L91 HydrophobicContact CD2-CB 4.41Å; F81-L91 HydrophobicContact CD2-CD1 4.03Å; F81-L91 HydrophobicContact CD2-CD2 4.27Å; F81-L91 HydrophobicContact CD2-CG 4.47Å; F81-L91 HydrophobicContact CE1-CB 3.83Å; F81-L91 HydrophobicContact CE1-CD1 4.12Å; F81-L91 HydrophobicContact CE2-CD1 3.76Å; F81-L91 HydrophobicContact CG-CB 3.88Å; F81-L91 HydrophobicContact CG-CD1 4.36Å; F81-L91 HydrophobicContact CG-CD2 4.26Å; F81-L91 HydrophobicContact CG-CG 4.39Å; F81-L91 HydrophobicContact CZ-CB 4.39Å; F81-L91 HydrophobicContact CZ-CD1 3.8Å; F81-F129 AromaticContact CZ-CE2 3.91Å; F81-F129 HydrophobicContact CZ-CE2 3.91Å; F81-I133 HydrophobicContact CE1-CD1 3.5Å; F81-I133 HydrophobicContact CE1-CG2 4.48Å; F81-I133 HydrophobicContact CZ-CD1 3.66Å; F81-F134 AromaticContact CD1-CE2 3.91Å; F81-F134 HydrophobicContact CD1-CE2 3.91Å; F81-F134 HydrophobicContact CD1-CZ 4.38Å; F81-F134 AromaticContact CD2-CE2 3.7Å; F81-F134 HydrophobicContact CD2-CE2 3.7Å; F81-F134 HydrophobicContact CD2-CZ 4.35Å; F81-F134 AromaticContact CE1-CE2 3.82Å; F81-F134 HydrophobicContact CE1-CE2 3.82Å; F81-F134 HydrophobicContact CE2-CD2 4.1Å; F81-F134 AromaticContact CE2-CE2 3.52Å; F81-F134 HydrophobicContact CE2-CE2 3.52Å; F81-F134 AromaticContact CG-CE2 3.9Å; F81-F134 HydrophobicContact CG-CE2 3.9Å; F81-F134 HydrophobicContact CG-CZ 4.27Å; F81-F134 HydrophobicContact CZ-CD2 4.12Å; F81-F134 AromaticContact CZ-CE2 3.59Å; F81-F134 HydrophobicContact CZ-CE2 3.59Å; F81-V465 HydrophobicContact CB-CG2 4.33Å
82Q90.8Very high92Very high108 Ų10846 Ų4651%0.50524%0.239SC..G310 helixtrans-76-15.6172.3-60.2178.4-39.400112.3E79 L80 V465E79-Q82 VanDerWaalsContact O-CB 3.32Å; E79-Q82 WeakPolarHBondContact O-CB 3.32Å; E79-Q82 PolarHBondContact O-N 3.44Å; L80-Q82 PolarHBondContact O-N 3.27Å; Q82-V465 HydrophobicContact CG-CB 4.07Å; Q82-V465 HydrophobicContact CG-CG2 4.33Å
83T90Very high92.3Very high110 Ų11044.6 Ų44.668%0.67523%0.234SC*.G310 helixtrans-90.7-4.7-177.8760000113.5L80 F81L80-T83 PolarHBondContact O-N 3.11Å; L80-T83 VanDerWaalsContact O-N 3.07Å; L80-T83 PolarHBondContact O-OG1 3.07Å; F81-T83 PolarHBondContact O-N 3.15Å
84I90.2Very high92.6Very high67 Ų6739.6 Ų39.634%0.34421%0.212SC..SBendtrans-113.4138.7177.9-52.9-175.5000108.5N86 G87 I133 F134I84-N86 PolarHBondContact O-N 3.15Å; I84-G87 PolarHBondContact O-N 3.36Å; I84-I133 HydrophobicContact CD1-CG2 4.14Å; I84-F134 HydrophobicContact CD1-CD1 4.22Å; I84-F134 HydrophobicContact CD1-CE1 3.27Å; I84-F134 HydrophobicContact CD1-CE2 4.29Å; I84-F134 HydrophobicContact CD1-CZ 3.3Å; I84-F134 HydrophobicContact CG1-CE1 3.9Å; I84-F134 HydrophobicContact CG1-CZ 3.96Å
85D88.9Confident92.9Very high153 Ų15339.3 Ų39.382%0.81821%0.208SC*.THydrogen-bonded Turntrans-54.8133.7169.3-63-33.9000110.4G87D85-G87 PolarHBondContact O-N 3.26Å; D85-G87 VanDerWaalsContact O-N 3.1Å
86N89.3Confident93.1Very high111 Ų11139.4 Ų39.459%0.59421%0.208SC*.THydrogen-bonded Turntrans56.919.1-174.1-58.7-29.1000115.1I84 H88 V89 L90I84-N86 PolarHBondContact O-N 3.15Å; N86-H88 PolarHBondContact O-N 3.41Å; N86-H88 VanDerWaalsContact O-N 3.1Å; N86-V89 HydrophobicContact CB-CB 4.5Å; N86-V89 HydrophobicContact CB-CG2 4.2Å; N86-V89 WeakPolarHBondContact O-CA 3.48Å; N86-V89 WeakPolarHBondContact O-CB 3.23Å; N86-V89 PolarHBondContact O-N 3.44Å; N86-L90 PolarHBondContact O-N 3.49Å; N86-L90 VanDerWaalsContact O-N 3.08Å
87G93.1Very high93.3Very high1 Ų139.2 Ų39.21%0.0121%0.207CC..Hα-helixtrans-62.6-23.2-176.900000114.1F81 I84 D85 L90 L91F81-G87 WeakPolarHBondContact CD1-O 3.37Å; F81-G87 VanDerWaalsContact O-CA 3.24Å; F81-G87 WeakPolarHBondContact O-CA 3.37Å; I84-G87 PolarHBondContact O-N 3.36Å; D85-G87 PolarHBondContact O-N 3.26Å; D85-G87 VanDerWaalsContact O-N 3.1Å; G87-L90 PolarHBondContact O-N 2.83Å; G87-L91 WeakPolarHBondContact O-CB 3.17Å; G87-L91 PolarHBondContact O-N 3.37Å
88H92.9Very high93.6Very high45 Ų4538.1 Ų38.121%0.20820%0.2CC..Hα-helixtrans-62.3-42169.462.8-83.6000112.2N86 L91 M92 I459 V465N86-H88 PolarHBondContact O-N 3.41Å; N86-H88 VanDerWaalsContact O-N 3.1Å; H88-L91 PolarHBondContact O-N 2.97Å; H88-M92 WeakPolarHBondContact O-CG 3.25Å; H88-M92 PolarHBondContact O-N 3.3Å; H88-I459 HydrophobicContact CB-CG2 3.82Å; H88-V465 HydrophobicContact CB-CG2 3.91Å
89V94.8Very high94Very high11 Ų1137.4 Ų37.47%0.06720%0.196CC..Hα-helixtrans-67.2-41.7175.8-163.80000110.5Q7 M10 N86 L91 M92 A93 V587Q7-V89 HydrophobicContact CG-CG1 4.36Å; M10-V89 HydrophobicContact CE-CG1 3.46Å; M10-V89 VanDerWaalsContact CE-CG1 3.46Å; N86-V89 HydrophobicContact CB-CB 4.5Å; N86-V89 HydrophobicContact CB-CG2 4.2Å; N86-V89 WeakPolarHBondContact O-CA 3.48Å; N86-V89 WeakPolarHBondContact O-CB 3.23Å; N86-V89 PolarHBondContact O-N 3.44Å; V89-L91 VanDerWaalsContact C-N 3.3Å; V89-L91 PolarHBondContact O-N 3.23Å; V89-M92 WeakPolarHBondContact O-CB 3.49Å; V89-M92 PolarHBondContact O-N 3.45Å; V89-M92 VanDerWaalsContact O-N 3.13Å; V89-A93 PolarHBondContact O-N 3.45Å; V89-V587 HydrophobicContact CB-CG1 4.02Å; V89-V587 HydrophobicContact CG1-CG1 3.38Å
90L95Very high94.5Very high27 Ų2733.3 Ų33.314%0.14118%0.178CC..Hα-helixtrans-63.9-36.8176.8-164.269.2000112.1F81 N86 G87 A93 G94 I133 M580 T584F81-L90 HydrophobicContact CD1-CB 4.35Å; F81-L90 HydrophobicContact CE1-CB 4.36Å; F81-L90 HydrophobicContact CE1-CD2 4.37Å; F81-L90 HydrophobicContact CE1-CG 4.31Å; N86-L90 PolarHBondContact O-N 3.49Å; N86-L90 VanDerWaalsContact O-N 3.08Å; G87-L90 PolarHBondContact O-N 2.83Å; L90-A93 PolarHBondContact O-N 3.17Å; L90-G94 PolarHBondContact O-N 3.4Å; L90-I133 HydrophobicContact CD2-CB 4.34Å; L90-I133 HydrophobicContact CD2-CD1 3.81Å; L90-I133 HydrophobicContact CD2-CG1 3.95Å; L90-I133 HydrophobicContact CD2-CG2 3.46Å; L90-I133 VanDerWaalsContact CD2-CG2 3.46Å; L90-I133 HydrophobicContact CG-CD1 3.75Å; L90-I133 HydrophobicContact CG-CG1 4.25Å; L90-M580 HydrophobicContact CD1-CE 3.28Å; L90-M580 HydrophobicContact CG-CE 3.76Å; L90-T584 HydrophobicContact CD1-CG2 4.29Å
91L95.1Very high94.8Very high2 Ų230.8 Ų30.81%0.0116%0.164CC..Hα-helixtrans-67.1-39.4173.1-17653.7000111.2V78 F81 G87 H88 V89 G94 Q95 F129 I459 V465V78-L91 HydrophobicContact CB-CD2 3.98Å; V78-L91 HydrophobicContact CG1-CD2 4.06Å; F81-L91 HydrophobicContact CB-CB 4.34Å; F81-L91 HydrophobicContact CB-CD2 4.41Å; F81-L91 HydrophobicContact CD1-CB 3.6Å; F81-L91 HydrophobicContact CD1-CD1 4.43Å; F81-L91 HydrophobicContact CD1-CG 4.47Å; F81-L91 HydrophobicContact CD2-CB 4.41Å; F81-L91 HydrophobicContact CD2-CD1 4.03Å; F81-L91 HydrophobicContact CD2-CD2 4.27Å; F81-L91 HydrophobicContact CD2-CG 4.47Å; F81-L91 HydrophobicContact CE1-CB 3.83Å; F81-L91 HydrophobicContact CE1-CD1 4.12Å; F81-L91 HydrophobicContact CE2-CD1 3.76Å; F81-L91 HydrophobicContact CG-CB 3.88Å; F81-L91 HydrophobicContact CG-CD1 4.36Å; F81-L91 HydrophobicContact CG-CD2 4.26Å; F81-L91 HydrophobicContact CG-CG 4.39Å; F81-L91 HydrophobicContact CZ-CB 4.39Å; F81-L91 HydrophobicContact CZ-CD1 3.8Å; G87-L91 WeakPolarHBondContact O-CB 3.17Å; G87-L91 PolarHBondContact O-N 3.37Å; H88-L91 PolarHBondContact O-N 2.97Å; V89-L91 VanDerWaalsContact C-N 3.3Å; V89-L91 PolarHBondContact O-N 3.23Å; L91-G94 CarbonylContact O-C 3.59Å; L91-G94 WeakPolarHBondContact O-CA 3.41Å; L91-G94 PolarHBondContact O-N 3.36Å; L91-Q95 WeakPolarHBondContact O-CG 3.47Å; L91-Q95 PolarHBondContact O-N 3.01Å; L91-F129 HydrophobicContact CD1-CE2 4.26Å; L91-F129 HydrophobicContact CD1-CZ 4.31Å; L91-I459 HydrophobicContact CB-CD1 4.11Å; L91-I459 HydrophobicContact CD2-CD1 3.45Å; L91-I459 VanDerWaalsContact CD2-CD1 3.45Å; L91-I459 HydrophobicContact CG-CD1 3.56Å; L91-V465 HydrophobicContact CD2-CB 4.43Å; L91-V465 HydrophobicContact CD2-CG1 3.5Å; L91-V465 VanDerWaalsContact CD2-CG1 3.5Å; L91-V465 HydrophobicContact CD2-CG2 4.19Å
92M96.3Very high95.1Very high0 Ų030.8 Ų30.80%016%0.164CC..Hα-helixtrans-58.5-47.9173-69.5174.761.600111.2Q7 M10 V11 H88 V89 G94 Q95 V96 L456 I459 A460Q7-M92 HydrophobicContact CB-CE 4.04Å; M10-M92 HydrophobicContact CB-CE 4.38Å; M10-M92 HydrophobicContact CE-CB 4.02Å; M10-M92 HydrophobicContact CE-CE 3.92Å; M10-M92 HydrophobicContact CE-SD 4.36Å; M10-M92 HydrophobicContact SD-CB 3.78Å; V11-M92 HydrophobicContact CG2-CE 3.96Å; H88-M92 WeakPolarHBondContact O-CG 3.25Å; H88-M92 PolarHBondContact O-N 3.3Å; V89-M92 WeakPolarHBondContact O-CB 3.49Å; V89-M92 PolarHBondContact O-N 3.45Å; V89-M92 VanDerWaalsContact O-N 3.13Å; M92-G94 VanDerWaalsContact C-N 3.28Å; M92-G94 PolarHBondContact O-N 2.86Å; M92-Q95 PolarHBondContact O-N 3.26Å; M92-Q95 VanDerWaalsContact O-N 3.16Å; M92-V96 WeakPolarHBondContact O-CG2 3.31Å; M92-V96 PolarHBondContact O-N 3.22Å; M92-V96 VanDerWaalsContact O-N 3.08Å; M92-L456 HydrophobicContact CB-CD1 3.6Å; M92-L456 HydrophobicContact CE-CD1 3.78Å; M92-L456 HydrophobicContact CG-CD1 3.83Å; M92-I459 HydrophobicContact CG-CB 3.92Å; M92-I459 HydrophobicContact CG-CG2 3.58Å; M92-I459 HydrophobicContact SD-CB 4.39Å; M92-I459 HydrophobicContact SD-CG2 3.8Å; M92-A460 HydrophobicContact CE-CB 3.67Å; M92-A460 HydrophobicContact SD-CB 4.33Å
93A97.1Very high95.4Very high0 Ų026 Ų260%014%0.143CC..Hα-helixtrans-59.3-40.9174.300000111.7M10 V89 L90 Q95 V96 A97 M580 F583 V587M10-A93 HydrophobicContact SD-CB 3.98Å; M10-A93 PolarHBondContact SD-N 2.95Å; V89-A93 PolarHBondContact O-N 3.45Å; L90-A93 PolarHBondContact O-N 3.17Å; A93-Q95 PolarHBondContact O-N 3.2Å; A93-V96 PolarHBondContact O-N 2.93Å; A93-A97 WeakPolarHBondContact O-CB 3.28Å; A93-A97 PolarHBondContact O-N 3.45Å; A93-M580 HydrophobicContact CB-CE 4.3Å; A93-M580 HydrophobicContact CB-SD 4.5Å; A93-F583 HydrophobicContact CB-CB 4.1Å; A93-F583 HydrophobicContact CB-CD2 4.14Å; A93-F583 HydrophobicContact CB-CG 4.46Å; A93-V587 HydrophobicContact CB-CG2 4.19Å
94G97.1Very high95.8Very high0 Ų024.5 Ų24.50%013%0.13CC..Hα-helixtrans-58.8-42.8173.400000113.4L90 L91 M92 A97 A98 F129L90-G94 PolarHBondContact O-N 3.4Å; L91-G94 CarbonylContact O-C 3.59Å; L91-G94 WeakPolarHBondContact O-CA 3.41Å; L91-G94 PolarHBondContact O-N 3.36Å; M92-G94 VanDerWaalsContact C-N 3.28Å; M92-G94 PolarHBondContact O-N 2.86Å; G94-A97 PolarHBondContact O-N 3.02Å; G94-A98 WeakPolarHBondContact O-CB 3.34Å; G94-A98 PolarHBondContact O-N 3.29Å; G94-F129 WeakPolarHBondContact O-CD1 3.32Å
95Q97.1Very high96.1Very high6 Ų623.4 Ų23.43%0.02812%0.122CC..Hα-helixtrans-63.7-42.4175-60.1-52.1-32.800111.6L91 M92 A93 A98 L99 P452 L456L91-Q95 WeakPolarHBondContact O-CG 3.47Å; L91-Q95 PolarHBondContact O-N 3.01Å; M92-Q95 PolarHBondContact O-N 3.26Å; M92-Q95 VanDerWaalsContact O-N 3.16Å; A93-Q95 PolarHBondContact O-N 3.2Å; Q95-A98 PolarHBondContact O-N 3.27Å; Q95-L99 WeakPolarHBondContact O-CB 3.33Å; Q95-L99 VanDerWaalsContact O-CG 3.26Å; Q95-L99 WeakPolarHBondContact O-CG 3.41Å; Q95-L99 PolarHBondContact O-N 2.91Å; Q95-P452 HydrophobicContact CB-CB 4.36Å; Q95-P452 VanDerWaalsContact OE1-CB 3.23Å; Q95-L456 HydrophobicContact CB-CB 4.06Å; Q95-L456 HydrophobicContact CG-CB 4.38Å
96V98.2Very high96.3Very high1 Ų116.1 Ų16.11%0.0068%0.083CC..Hα-helixtrans-64.3-41.5176.1178.70000110.8M10 V13 I17 M92 A93 L99 G100 L456 F583M10-V96 HydrophobicContact CB-CG2 4.11Å; M10-V96 WeakPolarHBondContact O-CG2 3.33Å; V13-V96 HydrophobicContact CG1-CG1 3.95Å; I17-V96 HydrophobicContact CD1-CG1 4.22Å; M92-V96 WeakPolarHBondContact O-CG2 3.31Å; M92-V96 PolarHBondContact O-N 3.22Å; M92-V96 VanDerWaalsContact O-N 3.08Å; A93-V96 PolarHBondContact O-N 2.93Å; V96-L99 PolarHBondContact O-N 3.26Å; V96-G100 PolarHBondContact O-N 2.82Å; V96-L456 HydrophobicContact CG2-CD1 4.29Å; V96-L456 HydrophobicContact CG2-CD2 3.91Å; V96-F583 HydrophobicContact CB-CE2 4.1Å; V96-F583 HydrophobicContact CG1-CE2 3.85Å; V96-F583 HydrophobicContact CG1-CZ 3.97Å
97A98.3Very high96.6Very high0 Ų013 Ų130%07%0.065CC..Hα-helixtrans-63.5-42.417600000111.8A93 G94 G100 G101 F129 S576 L579 M580 F583A93-A97 WeakPolarHBondContact O-CB 3.28Å; A93-A97 PolarHBondContact O-N 3.45Å; G94-A97 PolarHBondContact O-N 3.02Å; A97-G100 PolarHBondContact O-N 3.46Å; A97-G101 PolarHBondContact O-N 2.81Å; A97-F129 HydrophobicContact CB-CB 4.19Å; A97-S576 PolarHBondContact O-OG 2.86Å; A97-S576 VanDerWaalsContact O-OG 3.1Å; A97-L579 HydrophobicContact CB-CB 3.98Å; A97-M580 HydrophobicContact CB-CB 4.04Å; A97-M580 HydrophobicContact CB-SD 4.42Å; A97-F583 HydrophobicContact CB-CD2 4.1Å; A97-F583 HydrophobicContact CB-CE2 4.05Å
98A98.4Very high96.6Very high0 Ų015.8 Ų15.80%08%0.082CC..Hα-helixtrans-61-48.4176.600000111.5G94 Q95 G100 S102 I122 A125 F129 S576G94-A98 WeakPolarHBondContact O-CB 3.34Å; G94-A98 PolarHBondContact O-N 3.29Å; Q95-A98 PolarHBondContact O-N 3.27Å; A98-G100 VanDerWaalsContact C-N 3.33Å; A98-G100 PolarHBondContact O-N 3.39Å; A98-S102 WeakPolarHBondContact O-CB 3.28Å; A98-S102 PolarHBondContact O-N 3.31Å; A98-I122 HydrophobicContact CB-CD1 4.09Å; A98-A125 HydrophobicContact CB-CB 4.39Å; A98-A125 VanDerWaalsContact O-CB 3.23Å; A98-A125 WeakPolarHBondContact O-CB 3.23Å; A98-F129 HydrophobicContact CB-CD1 3.79Å; A98-F129 HydrophobicContact CB-CE1 3.94Å; A98-S576 WeakPolarHBondContact CA-OG 3.45Å; A98-S576 PolarHBondContact N-OG 2.89Å
99L98.6Very high96.5Very high0 Ų013.7 Ų13.70%07%0.073CC..Hα-helixtrans-58.9-46.1175.2-70.9169.8000110.8I17 A18 L21 Q95 V96 C103 A449 P452I17-L99 HydrophobicContact CB-CB 4.44Å; I17-L99 HydrophobicContact CG2-CB 3.74Å; A18-L99 HydrophobicContact CB-CD1 4.07Å; A18-L99 HydrophobicContact CB-CD2 4.06Å; L21-L99 HydrophobicContact CD2-CD2 3.8Å; Q95-L99 WeakPolarHBondContact O-CB 3.33Å; Q95-L99 VanDerWaalsContact O-CG 3.26Å; Q95-L99 WeakPolarHBondContact O-CG 3.41Å; Q95-L99 PolarHBondContact O-N 2.91Å; V96-L99 PolarHBondContact O-N 3.26Å; L99-C103 WeakPolarHBondContact O-CB 3.38Å; L99-C103 PolarHBondContact O-N 3Å; L99-A449 WeakPolarHBondContact CD2-O 3.32Å; L99-P452 HydrophobicContact CD1-CB 4.24Å; L99-P452 HydrophobicContact CD2-CB 3.79Å; L99-P452 HydrophobicContact CD2-CG 3.92Å; L99-P452 HydrophobicContact CG-CB 3.76Å; L99-P452 HydrophobicContact CG-CG 4.32Å
100G98.4Very high96.2Very high4 Ų413.2 Ų13.24%0.0417%0.07CC..Hα-helixtrans-63.6-49.1179.900000112.7V96 A97 A98 S102 C103 I104V96-G100 PolarHBondContact O-N 2.82Å; A97-G100 PolarHBondContact O-N 3.46Å; A98-G100 VanDerWaalsContact C-N 3.33Å; A98-G100 PolarHBondContact O-N 3.39Å; G100-S102 VanDerWaalsContact C-N 3.33Å; G100-S102 PolarHBondContact O-N 3.36Å; G100-C103 PolarHBondContact O-N 3.02Å; G100-I104 WeakPolarHBondContact O-CB 3.24Å; G100-I104 VanDerWaalsContact O-CG1 3.25Å; G100-I104 WeakPolarHBondContact O-CG1 3.38Å; G100-I104 PolarHBondContact O-N 2.72Å
101G98.4Very high96Very high0 Ų017.7 Ų17.70%09%0.088CC..Hα-helixtrans-61.7-41.5179.300000112.4A97 W105A97-G101 PolarHBondContact O-N 2.81Å; G101-W105 PolarHBondContact O-N 3.38Å
102S98.3Very high95.6Very high0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-69.1-44.7175.4-173.40000112.4A98 G100 I104 W105 L106 S121 I122A98-S102 WeakPolarHBondContact O-CB 3.28Å; A98-S102 PolarHBondContact O-N 3.31Å; G100-S102 VanDerWaalsContact C-N 3.33Å; G100-S102 PolarHBondContact O-N 3.36Å; S102-I104 PolarHBondContact O-N 2.96Å; S102-W105 PolarHBondContact O-N 2.94Å; S102-L106 VanDerWaalsContact O-CB 3.31Å; S102-L106 WeakPolarHBondContact O-CB 3.41Å; S102-L106 PolarHBondContact O-N 3.41Å; S102-S121 WeakPolarHBondContact CA-OG 3.42Å; S102-S121 WeakPolarHBondContact CB-OG 3.2Å; S102-S121 PolarHBondContact O-OG 2.89Å; S102-S121 WeakPolarHBondContact OG-CB 3.21Å; S102-S121 PolarHBondContact OG-OG 3.43Å; S102-I122 PolarHBondContact OG-N 3.46Å
103C98.2Very high95Very high9 Ų930.3 Ų30.36%0.06114%0.14CC..Hα-helixtrans-59.1-50.1179.7-175.90000111.8I17 I20 L21 L99 G100 W105 L106 L107I17-C103 HydrophobicContact CG2-CB 3.86Å; I20-C103 VanDerWaalsContact CG2-SG 3.5Å; L21-C103 HydrophobicContact CB-CB 4.03Å; L21-C103 HydrophobicContact CD1-CB 4.42Å; L99-C103 WeakPolarHBondContact O-CB 3.38Å; L99-C103 PolarHBondContact O-N 3Å; G100-C103 PolarHBondContact O-N 3.02Å; C103-W105 PolarHBondContact O-N 3.47Å; C103-L106 PolarHBondContact O-N 3.32Å; C103-L107 WeakPolarHBondContact O-CB 3.21Å; C103-L107 VanDerWaalsContact O-CG 3.27Å; C103-L107 WeakPolarHBondContact O-CG 3.21Å; C103-L107 PolarHBondContact O-N 3.4Å
104I97.7Very high94.3Very high78 Ų7833.7 Ų33.740%0.416%0.158SC..Hα-helixtrans-59.9-49.5-178.8-68165.1000109.9G100 S102 L106 L107 V108 I575 L579G100-I104 WeakPolarHBondContact O-CB 3.24Å; G100-I104 VanDerWaalsContact O-CG1 3.25Å; G100-I104 WeakPolarHBondContact O-CG1 3.38Å; G100-I104 PolarHBondContact O-N 2.72Å; S102-I104 PolarHBondContact O-N 2.96Å; I104-L106 PolarHBondContact O-N 3.05Å; I104-L107 PolarHBondContact O-N 3.06Å; I104-V108 VanDerWaalsContact O-CG2 3.28Å; I104-V108 WeakPolarHBondContact O-CG2 3.44Å; I104-V108 PolarHBondContact O-N 3.48Å; I104-I575 HydrophobicContact CB-CD1 4.47Å; I104-I575 HydrophobicContact CB-CG2 4.27Å; I104-I575 HydrophobicContact CD1-CG2 3.79Å; I104-I575 HydrophobicContact CG2-CD1 4.04Å; I104-I575 HydrophobicContact CG2-CG2 4.4Å; I104-L579 HydrophobicContact CD1-CD1 4.31Å
105W97.1Very high93.8Very high44 Ų4434 Ų3417%0.16716%0.159CC..Hα-helixtrans-62.1-45.5-179.8-179.8-105.1000112.5G101 S102 C103 L107 V108 A109 V567 T568 A571 A572 I575G101-W105 PolarHBondContact O-N 3.38Å; S102-W105 PolarHBondContact O-N 2.94Å; C103-W105 PolarHBondContact O-N 3.47Å; W105-L107 VanDerWaalsContact C-N 3.34Å; W105-L107 PolarHBondContact O-N 3Å; W105-V108 PolarHBondContact O-N 3.46Å; W105-A109 WeakPolarHBondContact O-CB 3.22Å; W105-A109 PolarHBondContact O-N 3.46Å; W105-V567 HydrophobicContact CH2-CG1 3.59Å; W105-V567 HydrophobicContact CZ2-CG1 3.82Å; W105-T568 PolarHBondContact NE1-OG1 2.96Å; W105-T568 VanDerWaalsContact NE1-OG1 3.16Å; W105-A571 HydrophobicContact CD2-CB 3.7Å; W105-A571 HydrophobicContact CE3-CB 3.42Å; W105-A571 VanDerWaalsContact CE3-CB 3.42Å; W105-A571 HydrophobicContact CH2-CB 3.74Å; W105-A571 HydrophobicContact CZ2-CB 4Å; W105-A571 HydrophobicContact CZ3-CB 3.45Å; W105-A571 VanDerWaalsContact CZ3-CB 3.45Å; W105-A572 HydrophobicContact CB-CB 4.05Å; W105-A572 HydrophobicContact CG-CB 4.27Å; W105-I575 HydrophobicContact CB-CD1 4.24Å
106L94Very high93.4Very high0 Ų033.7 Ų33.70%016%0.158CC..Hα-helixtrans-65.1-38.4-177.2-170.161.1000112.2L21 G24 I25 N28 S102 C103 I104 T110 V116L21-L106 HydrophobicContact CD1-CB 4.45Å; L21-L106 HydrophobicContact CD1-CD2 3.74Å; G24-L106 VanDerWaalsContact C-CD2 3.47Å; I25-L106 HydrophobicContact CB-CD2 4.3Å; I25-L106 HydrophobicContact CG1-CD2 3.52Å; N28-L106 HydrophobicContact CB-CD1 3.9Å; S102-L106 VanDerWaalsContact O-CB 3.31Å; S102-L106 WeakPolarHBondContact O-CB 3.41Å; S102-L106 PolarHBondContact O-N 3.41Å; C103-L106 PolarHBondContact O-N 3.32Å; I104-L106 PolarHBondContact O-N 3.05Å; L106-T110 VanDerWaalsContact O-CB 3.32Å; L106-T110 WeakPolarHBondContact O-CB 3.48Å; L106-T110 PolarHBondContact O-N 3.27Å; L106-T110 PolarHBondContact O-OG1 3.49Å; L106-V116 HydrophobicContact CD1-CG2 3.51Å
107L94.1Very high93.2Very high44 Ų4433.7 Ų33.723%0.2316%0.158CC..Hα-helixtrans-66.4-42.9174.4-69.3177.5000111.9I20 C103 I104 W105 T110 F111 W490I20-L107 HydrophobicContact CG2-CD1 3.81Å; C103-L107 WeakPolarHBondContact O-CB 3.21Å; C103-L107 VanDerWaalsContact O-CG 3.27Å; C103-L107 WeakPolarHBondContact O-CG 3.21Å; C103-L107 PolarHBondContact O-N 3.4Å; I104-L107 PolarHBondContact O-N 3.06Å; W105-L107 VanDerWaalsContact C-N 3.34Å; W105-L107 PolarHBondContact O-N 3Å; L107-T110 PolarHBondContact O-N 3.46Å; L107-F111 WeakPolarHBondContact O-CB 3.46Å; L107-F111 PolarHBondContact O-N 2.9Å; L107-W490 HydrophobicContact CD2-CZ3 4.11Å
108V93.5Very high93Very high61 Ų6133.8 Ų33.837%0.3716%0.159SC..Hα-helixtrans-60.4-48.6175.7169.30000110.6I104 W105 T110 F111 F112I104-V108 VanDerWaalsContact O-CG2 3.28Å; I104-V108 WeakPolarHBondContact O-CG2 3.44Å; I104-V108 PolarHBondContact O-N 3.48Å; W105-V108 PolarHBondContact O-N 3.46Å; V108-T110 VanDerWaalsContact C-N 3.35Å; V108-T110 PolarHBondContact O-N 3.16Å; V108-F111 WeakPolarHBondContact O-CB 3.4Å; V108-F111 PolarHBondContact O-N 3.03Å; V108-F112 HydrophobicContact CG1-CD2 3.95Å; V108-F112 HydrophobicContact CG1-CE2 3.91Å; V108-F112 WeakPolarHBondContact O-CD2 3.25Å; V108-F112 PolarHBondContact O-N 3.21Å; V108-F112 VanDerWaalsContact O-N 3.14Å
109A90.7Very high92.9Very high1 Ų133.8 Ų33.81%0.00816%0.159CC..Hα-helixtrans-60.4-43.8177.700000112.2W105 F111 F112 R113 L114 V116W105-A109 WeakPolarHBondContact O-CB 3.22Å; W105-A109 PolarHBondContact O-N 3.46Å; A109-F111 VanDerWaalsContact C-N 3.32Å; A109-F111 PolarHBondContact O-N 3.38Å; A109-F112 CarbonylContact O-C 3.6Å; A109-F112 PolarHBondContact O-N 3.14Å; A109-R113 PolarHBondContact O-N 3.44Å; A109-R113 VanDerWaalsContact O-N 3.11Å; A109-L114 HydrophobicContact CB-CB 4.37Å; A109-L114 PolarHBondContact O-N 3.22Å; A109-V116 HydrophobicContact CB-CB 4.16Å; A109-V116 HydrophobicContact CB-CG1 3.61Å; A109-V116 HydrophobicContact CB-CG2 3.45Å; A109-V116 VanDerWaalsContact CB-CG2 3.45Å
110T88.6Confident92.8Very high0 Ų034.4 Ų34.40%016%0.162CC..Hα-helixtrans-63.7-37.2177.1-57.50000112.1A27 N28 L106 L107 V108 F112 R113 W490 V494A27-T110 HydrophobicContact CB-CG2 3.9Å; N28-T110 WeakPolarHBondContact CB-OG1 3.18Å; N28-T110 PolarHBondContact ND2-OG1 3.32Å; L106-T110 VanDerWaalsContact O-CB 3.32Å; L106-T110 WeakPolarHBondContact O-CB 3.48Å; L106-T110 PolarHBondContact O-N 3.27Å; L106-T110 PolarHBondContact O-OG1 3.49Å; L107-T110 PolarHBondContact O-N 3.46Å; V108-T110 VanDerWaalsContact C-N 3.35Å; V108-T110 PolarHBondContact O-N 3.16Å; T110-F112 VanDerWaalsContact C-N 3.34Å; T110-F112 PolarHBondContact O-N 3.34Å; T110-R113 PolarHBondContact O-N 2.87Å; T110-R113 VanDerWaalsContact O-N 3.1Å; T110-W490 HydrophobicContact CG2-CD2 4.22Å; T110-W490 HydrophobicContact CG2-CG 4.34Å; T110-W490 HydrophobicContact CG2-CZ2 4.32Å; T110-V494 HydrophobicContact CG2-CG2 4.22Å
111F89.7Confident92.7Very high122 Ų12234.2 Ų34.254%0.53516%0.16SC..Hα-helixtrans-60.5-43.3174.2-178.1-93.9000112L107 V108 A109 R113 W490L107-F111 WeakPolarHBondContact O-CB 3.46Å; L107-F111 PolarHBondContact O-N 2.9Å; V108-F111 WeakPolarHBondContact O-CB 3.4Å; V108-F111 PolarHBondContact O-N 3.03Å; A109-F111 VanDerWaalsContact C-N 3.32Å; A109-F111 PolarHBondContact O-N 3.38Å; F111-R113 PolarHBondContact O-N 3.49Å; F111-W490 HydrophobicContact CB-CH2 4.47Å; F111-W490 HydrophobicContact CB-CZ2 4.03Å; F111-W490 HydrophobicContact CD2-CZ2 4.2Å
112F87.6Confident92.7Very high134 Ų13434.2 Ų34.259%0.58816%0.16SC*.THydrogen-bonded Turntrans-81.88.8175.1-67.5-66.6000114.4V108 A109 T110 L114V108-F112 HydrophobicContact CG1-CD2 3.95Å; V108-F112 HydrophobicContact CG1-CE2 3.91Å; V108-F112 WeakPolarHBondContact O-CD2 3.25Å; V108-F112 PolarHBondContact O-N 3.21Å; V108-F112 VanDerWaalsContact O-N 3.14Å; A109-F112 CarbonylContact O-C 3.6Å; A109-F112 PolarHBondContact O-N 3.14Å; T110-F112 VanDerWaalsContact C-N 3.34Å; T110-F112 PolarHBondContact O-N 3.34Å; F112-L114 HydrophobicContact CB-CD1 4.12Å; F112-L114 HydrophobicContact CB-CG 3.99Å; F112-L114 PolarHBondContact O-N 3.1Å
113R83.8Confident92.6Very high132 Ų13234.2 Ų34.250%0.49816%0.16SC..THydrogen-bonded Turntrans56.230.4-179.1-49.1-177.7-171.4176.10.6113.4A109 T110 F111 P115A109-R113 PolarHBondContact O-N 3.44Å; A109-R113 VanDerWaalsContact O-N 3.11Å; T110-R113 PolarHBondContact O-N 2.87Å; T110-R113 VanDerWaalsContact O-N 3.1Å; F111-R113 PolarHBondContact O-N 3.49Å; R113-P115 WeakPolarHBondContact O-CD 3.41Å
114L83.4Confident92.6Very high72 Ų7233.8 Ų33.838%0.37716%0.157SC..  trans-87.6120.4177.4-60.9177.2000109N28 A109 F112 V116N28-L114 PolarHBondContact ND2-O 2.86Å; A109-L114 HydrophobicContact CB-CB 4.37Å; A109-L114 PolarHBondContact O-N 3.22Å; F112-L114 HydrophobicContact CB-CD1 4.12Å; F112-L114 HydrophobicContact CB-CG 3.99Å; F112-L114 PolarHBondContact O-N 3.1Å; L114-V116 HydrophobicContact CB-CG1 4.23Å; L114-V116 PolarHBondContact O-N 2.89Å; L114-V116 VanDerWaalsContact O-N 3.15Å
115P85.1Confident92.6Very high6 Ų630.1 Ų30.14%0.03914%0.138CC..  trans-72.1107.917130.5-33000108.1R113 L498 T534 I561R113-P115 WeakPolarHBondContact O-CD 3.41Å; P115-L498 HydrophobicContact CB-CD2 4.17Å; P115-L498 HydrophobicContact CG-CD2 4.32Å; P115-T534 HydrophobicContact CB-CG2 3.92Å; P115-I561 HydrophobicContact CG-CD1 4.24Å; P115-I561 HydrophobicContact CG-CG1 3.96Å
116V90.2Very high92.6Very high0 Ų028.2 Ų28.20%013%0.131CC..  trans-113.3-176.6179.4-66.70000109.6N28 L106 A109 L114 T534 A564N28-V116 WeakPolarHBondContact OD1-CG2 3.47Å; N28-V116 PolarHBondContact OD1-N 3.29Å; N28-V116 PolarHBondContact OD1-O 2.83Å; L106-V116 HydrophobicContact CD1-CG2 3.51Å; A109-V116 HydrophobicContact CB-CB 4.16Å; A109-V116 HydrophobicContact CB-CG1 3.61Å; A109-V116 HydrophobicContact CB-CG2 3.45Å; A109-V116 VanDerWaalsContact CB-CG2 3.45Å; L114-V116 HydrophobicContact CB-CG1 4.23Å; L114-V116 PolarHBondContact O-N 2.89Å; L114-V116 VanDerWaalsContact O-N 3.15Å; V116-T534 WeakPolarHBondContact O-CB 3.48Å; V116-T534 PolarHBondContact O-OG1 2.93Å; V116-A564 HydrophobicContact CG1-CB 4.22Å
117S93.8Very high92.7Very high1 Ų129.4 Ų29.41%0.00714%0.137CC..  trans-110.8111.8178.7170.30000109T119 H120 S121 S532S117-T119 PolarHBondContact O-N 2.96Å; S117-T119 PolarHBondContact OG-N 3.05Å; S117-H120 PolarHBondContact O-N 3.43Å; S117-H120 PolarHBondContact OG-CD2 3.06Å; S117-H120 PolarHBondContact OG-N 3.26Å; S117-S121 WeakPolarHBondContact O-CB 3.41Å; S117-S121 PolarHBondContact O-N 2.93Å; S117-S532 VanDerWaalsContact CB-OG 3.28Å; S117-S532 WeakPolarHBondContact CB-OG 3.46Å; S117-S532 VanDerWaalsContact OG-CB 3.29Å; S117-S532 WeakPolarHBondContact OG-CB 3.37Å; S117-S532 PolarHBondContact OG-OG 3.35Å
118G94.2Very high92.9Very high1 Ų127.4 Ų27.41%0.0113%0.128CC..Hα-helixtrans-54.4-37.7169.900000111.5S121 I122G118-S121 WeakPolarHBondContact O-CB 3.33Å; G118-S121 PolarHBondContact O-N 3.45Å; G118-I122 PolarHBondContact O-N 2.86Å
119T96.1Very high93.1Very high1 Ų124.5 Ų24.51%0.00611%0.11CC..Hα-helixtrans-65.7-43.9178.8-55.90000113.2S117 S121 I122 V123 N448 P530 I531S117-T119 PolarHBondContact O-N 2.96Å; S117-T119 PolarHBondContact OG-N 3.05Å; T119-S121 VanDerWaalsContact C-N 3.27Å; T119-S121 PolarHBondContact O-N 3.14Å; T119-I122 WeakPolarHBondContact O-CG2 3.37Å; T119-V123 HydrophobicContact CG2-CG2 4.4Å; T119-V123 WeakPolarHBondContact O-CB 3.3Å; T119-V123 WeakPolarHBondContact O-CG2 3.49Å; T119-V123 PolarHBondContact O-N 3.05Å; T119-N448 WeakPolarHBondContact CA-OD1 3.26Å; T119-N448 PolarHBondContact N-ND2 2.61Å; T119-N448 PolarHBondContact OG1-ND2 3.49Å; T119-N448 PolarHBondContact OG1-OD1 3.28Å; T119-P530 HydrophobicContact CG2-CB 3.66Å; T119-I531 VanDerWaalsContact CB-O 3.26Å; T119-I531 WeakPolarHBondContact CB-O 3.1Å; T119-I531 PolarHBondContact OG1-O 3.46Å
120H95.5Very high93.3Very high12 Ų1224.5 Ų24.56%0.05611%0.11CC..Hα-helixtrans-64.4-38.5174.9-75.7-152.4000111.2S117 G124 W151 H535 T568S117-H120 PolarHBondContact O-N 3.43Å; S117-H120 PolarHBondContact OG-CD2 3.06Å; S117-H120 PolarHBondContact OG-N 3.26Å; H120-G124 PolarHBondContact O-N 3.48Å; H120-W151 AromaticContact CD2-CD2 3.44Å; H120-W151 VanDerWaalsContact CD2-CD2 3.44Å; H120-W151 AromaticContact CD2-CE2 3.36Å; H120-W151 AromaticContact CD2-CE3 3.79Å; H120-W151 AromaticContact CD2-CG 3.91Å; H120-W151 AromaticContact CD2-CH2 3.97Å; H120-W151 AromaticContact CD2-CZ2 3.63Å; H120-W151 AromaticContact CD2-NE1 3.84Å; H120-W151 AromaticContact CE1-CD2 3.76Å; H120-W151 AromaticContact CE1-CE3 3.57Å; H120-W151 AromaticContact NE2-CD1 3.75Å; H120-W151 AromaticContact NE2-CD2 3.03Å; H120-W151 AromaticContact NE2-CE2 3.5Å; H120-W151 AromaticContact NE2-CE3 3.34Å; H120-W151 VanDerWaalsContact NE2-CE3 3.34Å; H120-W151 AromaticContact NE2-CG 3.2Å; H120-W151 AromaticContact NE2-NE1 3.91Å; H120-H535 AromaticContact CE1-CE1 3.13Å; H120-H535 PolarHBondContact CE1-CE1 3.26Å; H120-H535 AromaticContact CE1-NE2 3.78Å; H120-H535 AromaticContact ND1-CE1 3.92Å; H120-H535 AromaticContact NE2-CE1 3.33Å; H120-H535 PolarHBondContact NE2-CE1 3.21Å; H120-H535 VanDerWaalsContact NE2-CE1 3.33Å; H120-H535 AromaticContact NE2-ND1 3.93Å; H120-H535 AromaticContact NE2-NE2 3.99Å; H120-T568 HydrophobicContact CB-CG2 3.73Å
121S97.2Very high93.7Very high0 Ų028.2 Ų28.20%013%0.129CC..Hα-helixtrans-62.5-50.8-179.8-175.30000110.9S102 S117 G118 T119 G124 A125 A572S102-S121 WeakPolarHBondContact CA-OG 3.42Å; S102-S121 WeakPolarHBondContact CB-OG 3.2Å; S102-S121 PolarHBondContact O-OG 2.89Å; S102-S121 WeakPolarHBondContact OG-CB 3.21Å; S102-S121 PolarHBondContact OG-OG 3.43Å; S117-S121 WeakPolarHBondContact O-CB 3.41Å; S117-S121 PolarHBondContact O-N 2.93Å; G118-S121 WeakPolarHBondContact O-CB 3.33Å; G118-S121 PolarHBondContact O-N 3.45Å; T119-S121 VanDerWaalsContact C-N 3.27Å; T119-S121 PolarHBondContact O-N 3.14Å; S121-G124 PolarHBondContact O-N 3.35Å; S121-A125 VanDerWaalsContact O-CB 3.28Å; S121-A125 WeakPolarHBondContact O-CB 3.38Å; S121-A125 PolarHBondContact O-N 2.73Å; S121-A572 VanDerWaalsContact O-CB 3.23Å; S121-A572 WeakPolarHBondContact O-CB 3.24Å; S121-A572 WeakPolarHBondContact OG-CB 3.36Å
122I97.8Very high94Very high0 Ų025 Ų250%012%0.119CC..Hα-helixtrans-70-37.7179.7-168.663.2000112.7I71 A98 S102 G118 T119 A125 T126 N448 P452I71-I122 HydrophobicContact CD1-CG2 4.04Å; I71-I122 HydrophobicContact CG2-CG1 4.21Å; A98-I122 HydrophobicContact CB-CD1 4.09Å; S102-I122 PolarHBondContact OG-N 3.46Å; G118-I122 PolarHBondContact O-N 2.86Å; T119-I122 WeakPolarHBondContact O-CG2 3.37Å; I122-A125 PolarHBondContact O-N 2.92Å; I122-T126 WeakPolarHBondContact O-CB 3.3Å; I122-T126 PolarHBondContact O-N 3.03Å; I122-T126 PolarHBondContact O-OG1 2.96Å; I122-N448 HydrophobicContact CB-CB 4.37Å; I122-N448 WeakPolarHBondContact CG1-O 3.47Å; I122-N448 HydrophobicContact CG2-CB 3.85Å; I122-N448 WeakPolarHBondContact CG2-OD1 3.35Å; I122-P452 HydrophobicContact CD1-CG 3.65Å; I122-P452 HydrophobicContact CG1-CG 3.9Å
123V97.1Very high94.3Very high0 Ų020.3 Ų20.30%010%0.1CC..Hα-helixtrans-65.4-43177.6171.10000110.3I71 I75 T119 T126 M127 L144 I147 W151I71-V123 HydrophobicContact CD1-CG2 4Å; I75-V123 HydrophobicContact CD1-CB 4.12Å; I75-V123 HydrophobicContact CD1-CG1 4.13Å; I75-V123 HydrophobicContact CD1-CG2 3.62Å; I75-V123 HydrophobicContact CG2-CG1 4.49Å; T119-V123 HydrophobicContact CG2-CG2 4.4Å; T119-V123 WeakPolarHBondContact O-CB 3.3Å; T119-V123 WeakPolarHBondContact O-CG2 3.49Å; T119-V123 PolarHBondContact O-N 3.05Å; V123-T126 PolarHBondContact O-N 3.38Å; V123-M127 HydrophobicContact CG1-CE 4.26Å; V123-M127 WeakPolarHBondContact O-CG 3.29Å; V123-M127 PolarHBondContact O-N 2.85Å; V123-L144 HydrophobicContact CG1-CD1 4.01Å; V123-I147 HydrophobicContact CG2-CG2 4.29Å; V123-W151 HydrophobicContact CB-CH2 4Å; V123-W151 HydrophobicContact CB-CZ2 3.85Å; V123-W151 HydrophobicContact CG1-CH2 3.7Å; V123-W151 HydrophobicContact CG1-CZ2 3.83Å; V123-W151 HydrophobicContact CG2-CZ2 3.97Å
124G97.2Very high94.8Very high1 Ų115.4 Ų15.41%0.018%0.083CC..Hα-helixtrans-58.2-48.9172.300000112.2H120 S121 M127 G128 G573H120-G124 PolarHBondContact O-N 3.48Å; S121-G124 PolarHBondContact O-N 3.35Å; G124-M127 PolarHBondContact O-N 3.01Å; G124-G128 PolarHBondContact O-N 2.89Å; G124-G573 VanDerWaalsContact C-CA 3.49Å; G124-G573 WeakPolarHBondContact O-CA 3.39Å
125A98.2Very high95.3Very high0 Ų013.4 Ų13.40%08%0.079CC..Hα-helixtrans-60.8-45.6178.500000112.2A98 S121 I122 M127 G128 F129 A572 S576A98-A125 HydrophobicContact CB-CB 4.39Å; A98-A125 VanDerWaalsContact O-CB 3.23Å; A98-A125 WeakPolarHBondContact O-CB 3.23Å; S121-A125 VanDerWaalsContact O-CB 3.28Å; S121-A125 WeakPolarHBondContact O-CB 3.38Å; S121-A125 PolarHBondContact O-N 2.73Å; I122-A125 PolarHBondContact O-N 2.92Å; A125-M127 VanDerWaalsContact C-N 3.35Å; A125-M127 PolarHBondContact O-N 2.96Å; A125-G128 WeakPolarHBondContact O-CA 3.38Å; A125-G128 PolarHBondContact O-N 2.74Å; A125-F129 PolarHBondContact O-N 2.83Å; A125-A572 HydrophobicContact CB-CB 4.47Å; A125-S576 WeakPolarHBondContact O-CB 3.35Å; A125-S576 PolarHBondContact O-OG 2.88Å
126T97.3Very high95.7Very high4 Ų418.2 Ų18.23%0.02510%0.104CC..Hα-helixtrans-60.4-41.4176.9-66.40000112.6I75 V76 I122 V123 G128 F129 S130I75-T126 HydrophobicContact CB-CG2 3.88Å; I75-T126 HydrophobicContact CD1-CG2 4.12Å; I75-T126 HydrophobicContact CG2-CG2 3.79Å; V76-T126 HydrophobicContact CB-CG2 4.48Å; V76-T126 HydrophobicContact CG2-CG2 3.66Å; I122-T126 WeakPolarHBondContact O-CB 3.3Å; I122-T126 PolarHBondContact O-N 3.03Å; I122-T126 PolarHBondContact O-OG1 2.96Å; V123-T126 PolarHBondContact O-N 3.38Å; T126-G128 VanDerWaalsContact C-N 3.35Å; T126-F129 HydrophobicContact CG2-CE1 3.77Å; T126-F129 HydrophobicContact CG2-CZ 4.27Å; T126-F129 WeakPolarHBondContact O-CD1 3.48Å; T126-F129 VanDerWaalsContact O-CE1 3.25Å; T126-F129 WeakPolarHBondContact O-CE1 3.36Å; T126-S130 WeakPolarHBondContact O-CB 3.35Å; T126-S130 PolarHBondContact O-N 3.41Å
127M96.6Very high95.8Very high25 Ų2524.5 Ų24.512%0.12314%0.138CC..Hα-helixtrans-64.6-42.3171-67.5-173.9-63.400111.3I75 V123 G124 A125 F129 S130 L131 I139 L144 L569I75-M127 HydrophobicContact CG2-CG 3.8Å; V123-M127 HydrophobicContact CG1-CE 4.26Å; V123-M127 WeakPolarHBondContact O-CG 3.29Å; V123-M127 PolarHBondContact O-N 2.85Å; G124-M127 PolarHBondContact O-N 3.01Å; A125-M127 VanDerWaalsContact C-N 3.35Å; A125-M127 PolarHBondContact O-N 2.96Å; M127-F129 PolarHBondContact O-N 3.44Å; M127-S130 PolarHBondContact O-N 3.17Å; M127-S130 VanDerWaalsContact O-N 3.16Å; M127-L131 VanDerWaalsContact O-CG 3.24Å; M127-L131 WeakPolarHBondContact O-CG 3.45Å; M127-L131 PolarHBondContact O-N 3.06Å; M127-I139 HydrophobicContact CB-CD1 4.24Å; M127-I139 HydrophobicContact CG-CD1 4.07Å; M127-L144 HydrophobicContact CE-CD1 4.45Å; M127-L144 HydrophobicContact SD-CD1 3.63Å; M127-L144 HydrophobicContact SD-CD2 3.55Å; M127-L144 VanDerWaalsContact SD-CD2 3.55Å; M127-L144 HydrophobicContact SD-CG 4.26Å; M127-L569 HydrophobicContact CE-CD1 3.94Å; M127-L569 HydrophobicContact CE-CD2 3.7Å; M127-L569 HydrophobicContact CE-CG 3.97Å
128G97.3Very high95.6Very high3 Ų324.5 Ų24.53%0.03114%0.137CC..Hα-helixtrans-52.8-53.6-179.700000113.4G124 A125 T126 S130 L131 G573 A577G124-G128 PolarHBondContact O-N 2.89Å; A125-G128 WeakPolarHBondContact O-CA 3.38Å; A125-G128 PolarHBondContact O-N 2.74Å; T126-G128 VanDerWaalsContact C-N 3.35Å; G128-S130 VanDerWaalsContact C-N 3.33Å; G128-S130 PolarHBondContact O-N 3.29Å; G128-L131 PolarHBondContact O-N 3.43Å; G128-G573 WeakPolarHBondContact CA-O 3.23Å; G128-A577 WeakPolarHBondContact O-CB 3.37Å
129F97Very high95.5Very high0 Ų024.9 Ų24.90%014%0.139CC..Hα-helixtrans-65.2-38.8177.883-104.9000112V76 F81 L91 G94 A97 A98 A125 T126 M127 L131 V132 I133 M580V76-F129 HydrophobicContact CG2-CZ 4.4Å; F81-F129 AromaticContact CZ-CE2 3.91Å; F81-F129 HydrophobicContact CZ-CE2 3.91Å; L91-F129 HydrophobicContact CD1-CE2 4.26Å; L91-F129 HydrophobicContact CD1-CZ 4.31Å; G94-F129 WeakPolarHBondContact O-CD1 3.32Å; A97-F129 HydrophobicContact CB-CB 4.19Å; A98-F129 HydrophobicContact CB-CD1 3.79Å; A98-F129 HydrophobicContact CB-CE1 3.94Å; A125-F129 PolarHBondContact O-N 2.83Å; T126-F129 HydrophobicContact CG2-CE1 3.77Å; T126-F129 HydrophobicContact CG2-CZ 4.27Å; T126-F129 WeakPolarHBondContact O-CD1 3.48Å; T126-F129 VanDerWaalsContact O-CE1 3.25Å; T126-F129 WeakPolarHBondContact O-CE1 3.36Å; M127-F129 PolarHBondContact O-N 3.44Å; F129-L131 VanDerWaalsContact C-N 3.3Å; F129-L131 PolarHBondContact O-N 3.01Å; F129-V132 WeakPolarHBondContact O-CB 3.13Å; F129-V132 PolarHBondContact O-N 3.24Å; F129-I133 HydrophobicContact CD2-CD1 4.13Å; F129-M580 HydrophobicContact CB-CB 3.73Å; F129-M580 HydrophobicContact CB-CG 3.81Å; F129-M580 HydrophobicContact CB-SD 4.05Å
130S95.7Very high95.4Very high0 Ų027.4 Ų27.40%015%0.151CC..Hα-helixtrans-65.6-35.6-177.6-178.90000112.2V76 T126 M127 G128 V132 I133 F134 A138V76-S130 VanDerWaalsContact CG2-CB 3.47Å; T126-S130 WeakPolarHBondContact O-CB 3.35Å; T126-S130 PolarHBondContact O-N 3.41Å; M127-S130 PolarHBondContact O-N 3.17Å; M127-S130 VanDerWaalsContact O-N 3.16Å; G128-S130 VanDerWaalsContact C-N 3.33Å; G128-S130 PolarHBondContact O-N 3.29Å; S130-V132 VanDerWaalsContact C-N 3.26Å; S130-V132 PolarHBondContact O-N 2.95Å; S130-I133 PolarHBondContact O-N 3.29Å; S130-F134 PolarHBondContact O-N 3.49Å; S130-A138 WeakPolarHBondContact OG-CB 3.34Å
131L96.6Very high95.3Very high78 Ų7833.3 Ų33.341%0.40817%0.173SC..Hα-helixtrans-63.7-32.6177.3-73.6170.1000112.1M127 G128 F129 G135 L136M127-L131 VanDerWaalsContact O-CG 3.24Å; M127-L131 WeakPolarHBondContact O-CG 3.45Å; M127-L131 PolarHBondContact O-N 3.06Å; G128-L131 PolarHBondContact O-N 3.43Å; F129-L131 VanDerWaalsContact C-N 3.3Å; F129-L131 PolarHBondContact O-N 3.01Å; L131-G135 VanDerWaalsContact O-CA 3.22Å; L131-G135 WeakPolarHBondContact O-CA 3.46Å; L131-G135 PolarHBondContact O-N 3.11Å; L131-L136 HydrophobicContact CD2-CD2 3.69Å; L131-L136 HydrophobicContact CD2-CG 4.38Å
132V96.5Very high95.1Very high54 Ų5442 Ų4233%0.32721%0.211SC..Hα-helixtrans-67.1-38.6177.8176.30000111.4F129 S130 A577 M580F129-V132 WeakPolarHBondContact O-CB 3.13Å; F129-V132 PolarHBondContact O-N 3.24Å; S130-V132 VanDerWaalsContact C-N 3.26Å; S130-V132 PolarHBondContact O-N 2.95Å; V132-A577 HydrophobicContact CG2-CB 3.73Å; V132-A577 WeakPolarHBondContact CG2-O 3.04Å; V132-M580 HydrophobicContact CB-CB 4.34Å; V132-M580 HydrophobicContact CB-CG 4.01Å; V132-M580 HydrophobicContact CG1-CB 4.5Å; V132-M580 HydrophobicContact CG1-CG 4.1Å; V132-M580 HydrophobicContact CG2-CB 4.28Å; V132-M580 HydrophobicContact CG2-CG 4.5Å
133I94.2Very high94.8Very high36 Ų3642.9 Ų42.919%0.18522%0.219CC..Hα-helixtrans-85.6-48.1-173.4-56.8166.8000111.5F81 I84 L90 F129 S130 M580F81-I133 HydrophobicContact CE1-CD1 3.5Å; F81-I133 HydrophobicContact CE1-CG2 4.48Å; F81-I133 HydrophobicContact CZ-CD1 3.66Å; I84-I133 HydrophobicContact CD1-CG2 4.14Å; L90-I133 HydrophobicContact CD2-CB 4.34Å; L90-I133 HydrophobicContact CD2-CD1 3.81Å; L90-I133 HydrophobicContact CD2-CG1 3.95Å; L90-I133 HydrophobicContact CD2-CG2 3.46Å; L90-I133 VanDerWaalsContact CD2-CG2 3.46Å; L90-I133 HydrophobicContact CG-CD1 3.75Å; L90-I133 HydrophobicContact CG-CG1 4.25Å; F129-I133 HydrophobicContact CD2-CD1 4.13Å; S130-I133 PolarHBondContact O-N 3.29Å; I133-M580 HydrophobicContact CD1-CE 3.55Å; I133-M580 HydrophobicContact CD1-CG 4.35Å; I133-M580 HydrophobicContact CD1-SD 4.03Å; I133-M580 HydrophobicContact CG1-CE 3.81Å; I133-M580 HydrophobicContact CG1-CG 4.23Å; I133-M580 HydrophobicContact CG1-SD 4.47Å
134F94.5Very high94.6Very high30 Ų3043.5 Ų43.513%0.13222%0.222CC..Hα-helixtrans-121.5-0.5-168-68.8-73.4000113.7L80 F81 I84 S130 N137 A138L80-F134 HydrophobicContact CB-CD1 4.43Å; L80-F134 HydrophobicContact CB-CE1 3.93Å; L80-F134 HydrophobicContact CB-CE2 4.28Å; L80-F134 HydrophobicContact CB-CZ 3.86Å; L80-F134 HydrophobicContact CD2-CD1 4.18Å; L80-F134 HydrophobicContact CD2-CE1 4.25Å; L80-F134 WeakPolarHBondContact O-CZ 3.46Å; F81-F134 AromaticContact CD1-CE2 3.91Å; F81-F134 HydrophobicContact CD1-CE2 3.91Å; F81-F134 HydrophobicContact CD1-CZ 4.38Å; F81-F134 AromaticContact CD2-CE2 3.7Å; F81-F134 HydrophobicContact CD2-CE2 3.7Å; F81-F134 HydrophobicContact CD2-CZ 4.35Å; F81-F134 AromaticContact CE1-CE2 3.82Å; F81-F134 HydrophobicContact CE1-CE2 3.82Å; F81-F134 HydrophobicContact CE2-CD2 4.1Å; F81-F134 AromaticContact CE2-CE2 3.52Å; F81-F134 HydrophobicContact CE2-CE2 3.52Å; F81-F134 AromaticContact CG-CE2 3.9Å; F81-F134 HydrophobicContact CG-CE2 3.9Å; F81-F134 HydrophobicContact CG-CZ 4.27Å; F81-F134 HydrophobicContact CZ-CD2 4.12Å; F81-F134 AromaticContact CZ-CE2 3.59Å; F81-F134 HydrophobicContact CZ-CE2 3.59Å; I84-F134 HydrophobicContact CD1-CD1 4.22Å; I84-F134 HydrophobicContact CD1-CE1 3.27Å; I84-F134 HydrophobicContact CD1-CE2 4.29Å; I84-F134 HydrophobicContact CD1-CZ 3.3Å; I84-F134 HydrophobicContact CG1-CE1 3.9Å; I84-F134 HydrophobicContact CG1-CZ 3.96Å; S130-F134 PolarHBondContact O-N 3.49Å; F134-N137 PolarHBondContact O-N 3.18Å; F134-A138 HydrophobicContact CB-CB 3.49Å; F134-A138 VanDerWaalsContact CB-CB 3.49Å; F134-A138 HydrophobicContact CD2-CB 3.66Å; F134-A138 HydrophobicContact CG-CB 3.75Å
135G93.8Very high94.5Very high29 Ų2948.8 Ų48.830%0.29925%0.249SC..G310 helixtrans56.8-141-166.400000111.3L131 N137L131-G135 VanDerWaalsContact O-CA 3.22Å; L131-G135 WeakPolarHBondContact O-CA 3.46Å; L131-G135 PolarHBondContact O-N 3.11Å; G135-N137 PolarHBondContact O-N 3.31Å
136L93.4Very high94.3Very high108 Ų10855.7 Ų55.757%0.56528%0.279SS*.G310 helixtrans-74.4-11-177-62.9172.4000114L131 A138 I139 W141L131-L136 HydrophobicContact CD2-CD2 3.69Å; L131-L136 HydrophobicContact CD2-CG 4.38Å; L136-A138 PolarHBondContact O-N 2.93Å; L136-I139 PolarHBondContact O-N 3.46Å; L136-W141 HydrophobicContact CD2-CZ2 4.15Å
137N90.8Very high94.2Very high132 Ų13255.5 Ų55.571%0.70628%0.278SS*.G310 helixtrans-70.7-32-170.4-67.6-24.2000113.2F134 G135 I139F134-N137 PolarHBondContact O-N 3.18Å; G135-N137 PolarHBondContact O-N 3.31Å; N137-I139 VanDerWaalsContact C-N 3.33Å
138A89.7Confident94.1Very high0 Ų056.7 Ų56.70%029%0.287CS..G310 helixtrans-85.4-3.2-178.900000113.9V76 S77 L80 S130 F134 L136 Q140V76-A138 CarbonylContact C-O 3.45Å; V76-A138 WeakPolarHBondContact CA-O 3.32Å; V76-A138 HydrophobicContact CG1-CB 4.2Å; S77-A138 PolarHBondContact N-O 3.45Å; L80-A138 HydrophobicContact CD1-CB 4.38Å; S130-A138 WeakPolarHBondContact OG-CB 3.34Å; F134-A138 HydrophobicContact CB-CB 3.49Å; F134-A138 VanDerWaalsContact CB-CB 3.49Å; F134-A138 HydrophobicContact CD2-CB 3.66Å; F134-A138 HydrophobicContact CG-CB 3.75Å; L136-A138 PolarHBondContact O-N 2.93Å; A138-Q140 PolarHBondContact O-N 3.18Å
139I93.9Very high94Very high10 Ų1058.4 Ų58.45%0.05130%0.304CS..BIsolated β-bridgetrans-76.9122.7179.7-57.8-56.8000110.6V76 M127 L136 N137 W141 L144V76-I139 HydrophobicContact CG2-CD1 4.49Å; M127-I139 HydrophobicContact CB-CD1 4.24Å; M127-I139 HydrophobicContact CG-CD1 4.07Å; L136-I139 PolarHBondContact O-N 3.46Å; N137-I139 VanDerWaalsContact C-N 3.33Å; I139-W141 VanDerWaalsContact C-N 3.32Å; I139-W141 HydrophobicContact CG2-CD2 4.13Å; I139-W141 HydrophobicContact CG2-CE3 4.45Å; I139-W141 HydrophobicContact CG2-CG 4.49Å; I139-W141 HydrophobicContact CG2-CZ2 4.38Å; I139-W141 VanDerWaalsContact O-CD1 3.29Å; I139-W141 PolarHBondContact O-N 3.03Å; I139-L144 HydrophobicContact CG2-CB 4.48Å; I139-L144 HydrophobicContact CG2-CD2 3.62Å
140Q92.9Very high93.9Very high53 Ų5358.9 Ų58.925%0.24831%0.308CS..  trans-76.981.2172.5-72.5-167.87.600111K73 I75 S77 A138 K142 G143 L144K73-Q140 VanDerWaalsContact O-CD 3.23Å; K73-Q140 PolarHBondContact O-NE2 3.04Å; K73-Q140 PolarHBondContact O-OE1 2.97Å; K73-Q140 VanDerWaalsContact O-OE1 3.05Å; I75-Q140 PolarHBondContact O-N 3.14Å; S77-Q140 WeakPolarHBondContact OG-CG 3.32Å; A138-Q140 PolarHBondContact O-N 3.18Å; Q140-K142 PolarHBondContact O-N 3.07Å; Q140-K142 VanDerWaalsContact O-N 3.11Å; Q140-G143 PolarHBondContact O-N 3.43Å; Q140-L144 WeakPolarHBondContact O-CB 3.37Å; Q140-L144 PolarHBondContact O-N 3.05Å
141W93.9Very high93.8Very high136 Ų13659.6 Ų59.652%0.51531%0.311SS..Hα-helixtrans-52.2-38.3-177.1-68.7101.7000114.2L136 I139 L144 I145L136-W141 HydrophobicContact CD2-CZ2 4.15Å; I139-W141 VanDerWaalsContact C-N 3.32Å; I139-W141 HydrophobicContact CG2-CD2 4.13Å; I139-W141 HydrophobicContact CG2-CE3 4.45Å; I139-W141 HydrophobicContact CG2-CG 4.49Å; I139-W141 HydrophobicContact CG2-CZ2 4.38Å; I139-W141 VanDerWaalsContact O-CD1 3.29Å; I139-W141 PolarHBondContact O-N 3.03Å; W141-L144 HydrophobicContact CE3-CD2 4.29Å; W141-L144 HydrophobicContact CZ3-CD2 4.23Å; W141-I145 VanDerWaalsContact O-CB 3.26Å; W141-I145 WeakPolarHBondContact O-CB 3.42Å; W141-I145 WeakPolarHBondContact O-CD1 3.37Å; W141-I145 WeakPolarHBondContact O-CG1 3.4Å; W141-I145 PolarHBondContact O-N 3.02Å
142K93Very high93.7Very high184 Ų18463.1 Ų63.180%0.832%0.323SS*.Hα-helixtrans-64.6-40.6176.4-70.7-177-179175.10112.6Q140 K146Q140-K142 PolarHBondContact O-N 3.07Å; Q140-K142 VanDerWaalsContact O-N 3.11Å; K142-K146 VanDerWaalsContact O-CG 3.32Å; K142-K146 WeakPolarHBondContact O-CG 3.43Å; K142-K146 PolarHBondContact O-N 3Å
143G90.4Very high93.6Very high17 Ų1765 Ų6518%0.17533%0.33CS..Hα-helixtrans-71.5-47.6176.800000111G74 Q140 I145 K146 I147G74-G143 WeakPolarHBondContact O-CA 3.31Å; Q140-G143 PolarHBondContact O-N 3.43Å; G143-I145 PolarHBondContact O-N 2.81Å; G143-K146 WeakPolarHBondContact O-CB 3.4Å; G143-K146 PolarHBondContact O-N 3.36Å; G143-I147 WeakPolarHBondContact O-CG1 3.33Å; G143-I147 PolarHBondContact O-N 3.05Å
144L93.6Very high93.8Very high13 Ų1363.5 Ų63.57%0.06832%0.323CS..Hα-helixtrans-60-45.8178.8-17663.7000112.5V123 M127 I139 Q140 W141 K146 I147 V148V123-L144 HydrophobicContact CG1-CD1 4.01Å; M127-L144 HydrophobicContact CE-CD1 4.45Å; M127-L144 HydrophobicContact SD-CD1 3.63Å; M127-L144 HydrophobicContact SD-CD2 3.55Å; M127-L144 VanDerWaalsContact SD-CD2 3.55Å; M127-L144 HydrophobicContact SD-CG 4.26Å; I139-L144 HydrophobicContact CG2-CB 4.48Å; I139-L144 HydrophobicContact CG2-CD2 3.62Å; Q140-L144 WeakPolarHBondContact O-CB 3.37Å; Q140-L144 PolarHBondContact O-N 3.05Å; W141-L144 HydrophobicContact CE3-CD2 4.29Å; W141-L144 HydrophobicContact CZ3-CD2 4.23Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 3.39Å; L144-I147 PolarHBondContact O-N 3.3Å; L144-I147 VanDerWaalsContact O-N 3.13Å; L144-V148 HydrophobicContact CD1-CG2 4.01Å; L144-V148 HydrophobicContact CG-CG2 4.17Å; L144-V148 WeakPolarHBondContact O-CB 3.44Å; L144-V148 WeakPolarHBondContact O-CG2 3.47Å; L144-V148 PolarHBondContact O-N 2.81Å
145I95.1Very high93.8Very high112 Ų11263 Ų6357%0.57432%0.323SS*.Hα-helixtrans-61.8-37.4178.3-71.7165.4000111.3W141 G143 G149W141-I145 VanDerWaalsContact O-CB 3.26Å; W141-I145 WeakPolarHBondContact O-CB 3.42Å; W141-I145 WeakPolarHBondContact O-CD1 3.37Å; W141-I145 WeakPolarHBondContact O-CG1 3.4Å; W141-I145 PolarHBondContact O-N 3.02Å; G143-I145 PolarHBondContact O-N 2.81Å; I145-G149 PolarHBondContact O-N 3.03Å
146K94.5Very high94Very high145 Ų14565.5 Ų65.563%0.6333%0.329SS*.Hα-helixtrans-64.1-43.5174.3-72.4174.5-178.5-177.60111.5K142 G143 L144 S150 L529K142-K146 VanDerWaalsContact O-CG 3.32Å; K142-K146 WeakPolarHBondContact O-CG 3.43Å; K142-K146 PolarHBondContact O-N 3Å; G143-K146 WeakPolarHBondContact O-CB 3.4Å; G143-K146 PolarHBondContact O-N 3.36Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 3.39Å; K146-S150 WeakPolarHBondContact O-CB 3.43Å; K146-S150 PolarHBondContact O-N 3.15Å; K146-L529 HydrophobicContact CB-CD2 4.44Å
147I94.9Very high94.1Very high1 Ų164.3 Ų64.31%0.00532%0.323CS..Hα-helixtrans-63.5-53.7177.2-65.2169.2000110T70 I75 V123 G143 L144 G149 S150 W151 P530T70-I147 HydrophobicContact CG2-CD1 4.19Å; I75-I147 HydrophobicContact CD1-CD1 4.48Å; I75-I147 HydrophobicContact CG1-CD1 3.79Å; V123-I147 HydrophobicContact CG2-CG2 4.29Å; G143-I147 WeakPolarHBondContact O-CG1 3.33Å; G143-I147 PolarHBondContact O-N 3.05Å; L144-I147 PolarHBondContact O-N 3.3Å; L144-I147 VanDerWaalsContact O-N 3.13Å; I147-G149 PolarHBondContact O-N 2.88Å; I147-S150 WeakPolarHBondContact O-CB 3.34Å; I147-S150 PolarHBondContact O-N 3.3Å; I147-S150 VanDerWaalsContact O-N 3.07Å; I147-S150 PolarHBondContact O-OG 3.03Å; I147-W151 HydrophobicContact CG2-CD2 4.46Å; I147-W151 HydrophobicContact CG2-CH2 4.42Å; I147-W151 HydrophobicContact CG2-CZ2 3.51Å; I147-W151 VanDerWaalsContact O-CD1 3.24Å; I147-W151 PolarHBondContact O-N 3.23Å; I147-P530 HydrophobicContact CD1-CG 3.92Å; I147-P530 HydrophobicContact CG1-CG 3.88Å; I147-P530 HydrophobicContact CG2-CG 4.16Å
148V94.2Very high94.5Very high49 Ų4958 Ų5830%0.29729%0.289SS..Hα-helixtrans-60.5-44.2-179.7174.20000111.4L144 S150 W151 F152L144-V148 HydrophobicContact CD1-CG2 4.01Å; L144-V148 HydrophobicContact CG-CG2 4.17Å; L144-V148 WeakPolarHBondContact O-CB 3.44Å; L144-V148 WeakPolarHBondContact O-CG2 3.47Å; L144-V148 PolarHBondContact O-N 2.81Å; V148-S150 VanDerWaalsContact C-N 3.26Å; V148-S150 PolarHBondContact O-N 3.25Å; V148-W151 HydrophobicContact CB-CE3 4.41Å; V148-W151 HydrophobicContact CG1-CE3 4.5Å; V148-W151 HydrophobicContact CG2-CE3 4.15Å; V148-W151 HydrophobicContact CG2-CH2 4.44Å; V148-W151 HydrophobicContact CG2-CZ3 3.93Å; V148-W151 WeakPolarHBondContact O-CB 3.37Å; V148-W151 PolarHBondContact O-N 2.96Å; V148-W151 VanDerWaalsContact O-N 3.07Å; V148-F152 HydrophobicContact CG1-CE2 3.97Å; V148-F152 VanDerWaalsContact O-CD2 3.27Å; V148-F152 WeakPolarHBondContact O-CD2 3.46Å
149G95.2Very high94.8Very high39 Ų3958 Ų5840%0.40229%0.289SS..Hα-helixtrans-59.1-38.3175.500000112.5I145 I147 W151 F152 L153I145-G149 PolarHBondContact O-N 3.03Å; I147-G149 PolarHBondContact O-N 2.88Å; G149-W151 VanDerWaalsContact C-N 3.27Å; G149-W151 PolarHBondContact O-N 3.32Å; G149-F152 PolarHBondContact O-N 2.89Å; G149-L153 WeakPolarHBondContact O-CB 3.14Å; G149-L153 PolarHBondContact O-N 3.44Å; G149-L153 VanDerWaalsContact O-N 3.09Å
150S95.4Very high95Very high11 Ų1161.8 Ų61.88%0.07731%0.309CS..Hα-helixtrans-65.9-26.7176.480.50000113.3K146 I147 V148 F152 L153 S154 I531K146-S150 WeakPolarHBondContact O-CB 3.43Å; K146-S150 PolarHBondContact O-N 3.15Å; I147-S150 WeakPolarHBondContact O-CB 3.34Å; I147-S150 PolarHBondContact O-N 3.3Å; I147-S150 VanDerWaalsContact O-N 3.07Å; I147-S150 PolarHBondContact O-OG 3.03Å; V148-S150 VanDerWaalsContact C-N 3.26Å; V148-S150 PolarHBondContact O-N 3.25Å; S150-F152 VanDerWaalsContact C-N 3.32Å; S150-F152 PolarHBondContact O-N 3.39Å; S150-L153 PolarHBondContact O-N 3.46Å; S150-S154 WeakPolarHBondContact O-CB 3.39Å; S150-S154 PolarHBondContact O-N 3.33Å; S150-S154 PolarHBondContact O-OG 3.02Å; S150-I531 WeakPolarHBondContact OG-CG2 3.3Å
151W93.2Very high95.1Very high15 Ų1560.9 Ų60.96%0.05731%0.31CS..Hα-helixtrans-71.1-25.4179.5-61.4-15.5000114.1H120 V123 I147 V148 G149 P155 P530 L569H120-W151 AromaticContact CD2-CD2 3.44Å; H120-W151 VanDerWaalsContact CD2-CD2 3.44Å; H120-W151 AromaticContact CD2-CE2 3.36Å; H120-W151 AromaticContact CD2-CE3 3.79Å; H120-W151 AromaticContact CD2-CG 3.91Å; H120-W151 AromaticContact CD2-CH2 3.97Å; H120-W151 AromaticContact CD2-CZ2 3.63Å; H120-W151 AromaticContact CD2-NE1 3.84Å; H120-W151 AromaticContact CE1-CD2 3.76Å; H120-W151 AromaticContact CE1-CE3 3.57Å; H120-W151 AromaticContact NE2-CD1 3.75Å; H120-W151 AromaticContact NE2-CD2 3.03Å; H120-W151 AromaticContact NE2-CE2 3.5Å; H120-W151 AromaticContact NE2-CE3 3.34Å; H120-W151 VanDerWaalsContact NE2-CE3 3.34Å; H120-W151 AromaticContact NE2-CG 3.2Å; H120-W151 AromaticContact NE2-NE1 3.91Å; V123-W151 HydrophobicContact CB-CH2 4Å; V123-W151 HydrophobicContact CB-CZ2 3.85Å; V123-W151 HydrophobicContact CG1-CH2 3.7Å; V123-W151 HydrophobicContact CG1-CZ2 3.83Å; V123-W151 HydrophobicContact CG2-CZ2 3.97Å; I147-W151 HydrophobicContact CG2-CD2 4.46Å; I147-W151 HydrophobicContact CG2-CH2 4.42Å; I147-W151 HydrophobicContact CG2-CZ2 3.51Å; I147-W151 VanDerWaalsContact O-CD1 3.24Å; I147-W151 PolarHBondContact O-N 3.23Å; V148-W151 HydrophobicContact CB-CE3 4.41Å; V148-W151 HydrophobicContact CG1-CE3 4.5Å; V148-W151 HydrophobicContact CG2-CE3 4.15Å; V148-W151 HydrophobicContact CG2-CH2 4.44Å; V148-W151 HydrophobicContact CG2-CZ3 3.93Å; V148-W151 WeakPolarHBondContact O-CB 3.37Å; V148-W151 PolarHBondContact O-N 2.96Å; V148-W151 VanDerWaalsContact O-N 3.07Å; G149-W151 VanDerWaalsContact C-N 3.27Å; G149-W151 PolarHBondContact O-N 3.32Å; W151-P155 WeakPolarHBondContact O-CD 3.37Å; W151-P155 VanDerWaalsContact O-CG 3.32Å; W151-P155 WeakPolarHBondContact O-CG 3.09Å; W151-P530 PolarHBondContact NE1-O 3.25Å; W151-L569 HydrophobicContact CH2-CD1 3.58Å; W151-L569 HydrophobicContact CZ3-CD1 3.4Å; W151-L569 VanDerWaalsContact CZ3-CD1 3.4Å
152F93.9Very high95.3Very high152 Ų15254.4 Ų54.467%0.66729%0.286SS*.Hα-helixtrans-89.5-40.3172.1-62.9-82.7000111.5V148 G149 S150 P155V148-F152 HydrophobicContact CG1-CE2 3.97Å; V148-F152 VanDerWaalsContact O-CD2 3.27Å; V148-F152 WeakPolarHBondContact O-CD2 3.46Å; G149-F152 PolarHBondContact O-N 2.89Å; S150-F152 VanDerWaalsContact C-N 3.32Å; S150-F152 PolarHBondContact O-N 3.39Å; F152-P155 WeakPolarHBondContact O-CD 3.42Å; F152-P155 WeakPolarHBondContact O-CG 3.33Å
153L95.7Very high95.4Very high93 Ų9347.5 Ų47.549%0.48726%0.258SS..Hα-helixtrans-70.7-38.5-176.8-17461.8000112.2G149 S150 L156 L157G149-L153 WeakPolarHBondContact O-CB 3.14Å; G149-L153 PolarHBondContact O-N 3.44Å; G149-L153 VanDerWaalsContact O-N 3.09Å; S150-L153 PolarHBondContact O-N 3.46Å; L153-L156 PolarHBondContact O-N 2.89Å; L153-L157 HydrophobicContact CD1-CD1 4.1Å; L153-L157 HydrophobicContact CD1-CD2 4.35Å; L153-L157 HydrophobicContact CD1-CG 3.92Å; L153-L157 HydrophobicContact CD2-CD1 4.07Å; L153-L157 HydrophobicContact CG-CD1 3.66Å; L153-L157 HydrophobicContact CG-CG 3.92Å; L153-L157 WeakPolarHBondContact O-CB 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.04Å
154S97.1Very high95.6Very high5 Ų548.6 Ų48.64%0.03527%0.268CS..Hα-helixtrans-63.7-48.7-177.157.40000114.9S150 L156 L157 S158S150-S154 WeakPolarHBondContact O-CB 3.39Å; S150-S154 PolarHBondContact O-N 3.33Å; S150-S154 PolarHBondContact O-OG 3.02Å; S154-L156 VanDerWaalsContact C-N 3.26Å; S154-L156 PolarHBondContact O-N 2.93Å; S154-L157 PolarHBondContact O-N 3.43Å; S154-S158 WeakPolarHBondContact O-CB 3.24Å; S154-S158 PolarHBondContact O-N 2.99Å
155P96.1Very high95.6Very high19 Ų1949.2 Ų49.212%0.12327%0.273CS..Hα-helixtrans-60.3-36.5174.521.1-32.1000112.6W151 F152 G159 H535W151-P155 WeakPolarHBondContact O-CD 3.37Å; W151-P155 VanDerWaalsContact O-CG 3.32Å; W151-P155 WeakPolarHBondContact O-CG 3.09Å; F152-P155 WeakPolarHBondContact O-CD 3.42Å; F152-P155 WeakPolarHBondContact O-CG 3.33Å; P155-G159 PolarHBondContact O-N 3.16Å; P155-H535 HydrophobicContact CB-CB 4.1Å; P155-H535 WeakPolarHBondContact CB-O 3.33Å; P155-H535 HydrophobicContact CG-CB 4.17Å
156L96.6Very high95.5Very high82 Ų8244 Ų4443%0.42925%0.246SC..Hα-helixtrans-66.9-52.3177.4177.561.7000111.6L153 S154 S158 G159 L160 F543L153-L156 PolarHBondContact O-N 2.89Å; S154-L156 VanDerWaalsContact C-N 3.26Å; S154-L156 PolarHBondContact O-N 2.93Å; L156-S158 VanDerWaalsContact C-N 3.26Å; L156-S158 PolarHBondContact O-N 3.05Å; L156-G159 PolarHBondContact O-N 2.69Å; L156-L160 HydrophobicContact CD1-CD1 4.12Å; L156-L160 HydrophobicContact CD1-CG 4.24Å; L156-L160 HydrophobicContact CG-CD1 4.09Å; L156-L160 WeakPolarHBondContact O-CB 2.92Å; L156-L160 WeakPolarHBondContact O-CG 3.28Å; L156-L160 PolarHBondContact O-N 3.46Å; L156-F543 HydrophobicContact CD1-CE1 4.47Å; L156-F543 HydrophobicContact CD1-CZ 3.84Å
157L96.8Very high95.4Very high83 Ų8342 Ų4244%0.43524%0.238SC..Hα-helixtrans-60.3-39.5177.5-72.8-179.5000111.4L153 S154 L160 A161L153-L157 HydrophobicContact CD1-CD1 4.1Å; L153-L157 HydrophobicContact CD1-CD2 4.35Å; L153-L157 HydrophobicContact CD1-CG 3.92Å; L153-L157 HydrophobicContact CD2-CD1 4.07Å; L153-L157 HydrophobicContact CG-CD1 3.66Å; L153-L157 HydrophobicContact CG-CG 3.92Å; L153-L157 WeakPolarHBondContact O-CB 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.04Å; S154-L157 PolarHBondContact O-N 3.43Å; L157-L160 PolarHBondContact O-N 2.88Å; L157-A161 VanDerWaalsContact O-CB 3.26Å; L157-A161 WeakPolarHBondContact O-CB 3.25Å; L157-A161 PolarHBondContact O-N 3.32Å
158S97.7Very high95.2Very high0 Ų046.6 Ų46.60%026%0.261CS..Hα-helixtrans-64-44.9176.5-170.10000111.9S154 L156 A161 S162 G516 S517 T520 C536 S540S154-S158 WeakPolarHBondContact O-CB 3.24Å; S154-S158 PolarHBondContact O-N 2.99Å; L156-S158 VanDerWaalsContact C-N 3.26Å; L156-S158 PolarHBondContact O-N 3.05Å; S158-A161 PolarHBondContact O-N 3.22Å; S158-S162 VanDerWaalsContact O-CB 3.3Å; S158-S162 WeakPolarHBondContact O-CB 3.35Å; S158-S162 PolarHBondContact O-N 2.9Å; S158-S162 PolarHBondContact O-OG 2.98Å; S158-G516 VanDerWaalsContact OG-C 3.28Å; S158-G516 PolarHBondContact OG-O 3.39Å; S158-G516 VanDerWaalsContact OG-O 3.1Å; S158-S517 WeakPolarHBondContact OG-CA 3.33Å; S158-S517 PolarHBondContact OG-N 2.73Å; S158-T520 WeakPolarHBondContact CA-OG1 3.34Å; S158-C536 PolarHBondContact OG-O 3.11Å; S158-S540 PolarHBondContact O-OG 2.99Å; S158-S540 VanDerWaalsContact O-OG 3.13Å; S158-S540 PolarHBondContact OG-OG 2.9Å
159G97.1Very high94.9Very high0 Ų044.4 Ų44.40%025%0.248CC..Hα-helixtrans-59.9-45.7172.600000113.4P155 L156 S162 I163 F543P155-G159 PolarHBondContact O-N 3.16Å; L156-G159 PolarHBondContact O-N 2.69Å; G159-S162 PolarHBondContact O-N 3.05Å; G159-I163 WeakPolarHBondContact O-CB 3.19Å; G159-I163 PolarHBondContact O-N 3.25Å; G159-F543 VanDerWaalsContact C-CD1 3.45Å; G159-F543 WeakPolarHBondContact O-CD1 3.43Å
160L97.3Very high94.6Very high88 Ų8846.7 Ų46.746%0.46124%0.244SC..Hα-helixtrans-66.9-40.2177.8-69.9174.1000112.6L156 L157 I163 G164 F543L156-L160 HydrophobicContact CD1-CD1 4.12Å; L156-L160 HydrophobicContact CD1-CG 4.24Å; L156-L160 HydrophobicContact CG-CD1 4.09Å; L156-L160 WeakPolarHBondContact O-CB 2.92Å; L156-L160 WeakPolarHBondContact O-CG 3.28Å; L156-L160 PolarHBondContact O-N 3.46Å; L157-L160 PolarHBondContact O-N 2.88Å; L160-I163 WeakPolarHBondContact O-CG2 3.35Å; L160-G164 PolarHBondContact O-N 3.03Å; L160-F543 HydrophobicContact CD2-CE1 3.92Å; L160-F543 HydrophobicContact CG-CE1 4.22Å
161A96.6Very high94.2Very high34 Ų3453.1 Ų53.128%0.28127%0.271SS..Hα-helixtrans-63.5-47173.800000110.5L157 S158 I163 G164 V165L157-A161 VanDerWaalsContact O-CB 3.26Å; L157-A161 WeakPolarHBondContact O-CB 3.25Å; L157-A161 PolarHBondContact O-N 3.32Å; S158-A161 PolarHBondContact O-N 3.22Å; A161-I163 PolarHBondContact O-N 3.46Å; A161-G164 PolarHBondContact O-N 3.34Å; A161-V165 WeakPolarHBondContact O-CG2 3.35Å; A161-V165 PolarHBondContact O-N 3.05Å
162S96.9Very high93.9Very high0 Ų056.1 Ų56.10%029%0.287CS..Hα-helixtrans-62-41.3178.8-700000112.8S158 G159 F166 C512 G516 S540S158-S162 VanDerWaalsContact O-CB 3.3Å; S158-S162 WeakPolarHBondContact O-CB 3.35Å; S158-S162 PolarHBondContact O-N 2.9Å; S158-S162 PolarHBondContact O-OG 2.98Å; G159-S162 PolarHBondContact O-N 3.05Å; S162-F166 WeakPolarHBondContact O-CB 3.44Å; S162-F166 PolarHBondContact O-N 3.21Å; S162-C512 PolarHBondContact OG-O 2.95Å; S162-C512 VanDerWaalsContact OG-O 3.09Å; S162-G516 VanDerWaalsContact OG-CA 3.25Å; S162-G516 WeakPolarHBondContact OG-CA 3.38Å; S162-S540 WeakPolarHBondContact OG-CB 3.47Å; S162-S540 PolarHBondContact OG-OG 3.32Å
163I94.9Very high93.6Very high40 Ų4049 Ų4921%0.20526%0.256CS..Hα-helixtrans-70.3-36.3177.1-149.4179.1000111.7G159 L160 A161 F166 F167 A547G159-I163 WeakPolarHBondContact O-CB 3.19Å; G159-I163 PolarHBondContact O-N 3.25Å; L160-I163 WeakPolarHBondContact O-CG2 3.35Å; A161-I163 PolarHBondContact O-N 3.46Å; I163-F166 WeakPolarHBondContact O-CB 3.22Å; I163-F166 PolarHBondContact O-N 3.38Å; I163-F167 HydrophobicContact CD1-CE2 3.75Å; I163-F167 HydrophobicContact CD1-CZ 4.37Å; I163-F167 HydrophobicContact CG1-CD2 4Å; I163-F167 HydrophobicContact CG1-CE2 3.59Å; I163-F167 HydrophobicContact CG1-CZ 4.41Å; I163-F167 WeakPolarHBondContact O-CD2 3.31Å; I163-F167 PolarHBondContact O-N 3.42Å; I163-A547 HydrophobicContact CD1-CB 3.94Å; I163-A547 HydrophobicContact CG1-CB 3.92Å
164G95Very high92.9Very high39 Ų3945.4 Ų45.440%0.40224%0.237SC..Hα-helixtrans-61.2-47173.800000111.8L160 A161 F166 F167 L168L160-G164 PolarHBondContact O-N 3.03Å; A161-G164 PolarHBondContact O-N 3.34Å; G164-F166 VanDerWaalsContact C-N 3.34Å; G164-F166 PolarHBondContact O-N 3.3Å; G164-F167 PolarHBondContact O-N 3.18Å; G164-L168 WeakPolarHBondContact O-CB 3.28Å; G164-L168 PolarHBondContact O-N 3.07Å
165V93.4Very high92.2Very high27 Ų2753 Ų5316%0.16427%0.265CS..Hα-helixtrans-61.2-43.2172.7176.40000110.6A161 F167 L168 M169 C512 I515A161-V165 WeakPolarHBondContact O-CG2 3.35Å; A161-V165 PolarHBondContact O-N 3.05Å; V165-F167 PolarHBondContact O-N 2.69Å; V165-L168 WeakPolarHBondContact O-CB 3.15Å; V165-L168 PolarHBondContact O-N 3.44Å; V165-M169 HydrophobicContact CG1-CG 4.08Å; V165-M169 WeakPolarHBondContact O-CB 3.29Å; V165-M169 VanDerWaalsContact O-CG 3.24Å; V165-M169 WeakPolarHBondContact O-CG 3.3Å; V165-M169 PolarHBondContact O-N 3.14Å; V165-C512 HydrophobicContact CG1-CB 4.24Å; V165-I515 HydrophobicContact CG1-CD1 4.31Å; V165-I515 HydrophobicContact CG2-CG2 3.99Å
166F93.4Very high91.6Very high1 Ų157.2 Ų57.20%0.00428%0.281CS..Hα-helixtrans-59.8-45.7177.8177.6-101.8000112.9S162 I163 G164 M169 R170 C512 V544 A547S162-F166 WeakPolarHBondContact O-CB 3.44Å; S162-F166 PolarHBondContact O-N 3.21Å; I163-F166 WeakPolarHBondContact O-CB 3.22Å; I163-F166 PolarHBondContact O-N 3.38Å; G164-F166 VanDerWaalsContact C-N 3.34Å; G164-F166 PolarHBondContact O-N 3.3Å; F166-M169 PolarHBondContact O-N 3.39Å; F166-R170 WeakPolarHBondContact O-CB 3.04Å; F166-R170 PolarHBondContact O-N 3.35Å; F166-C512 VanDerWaalsContact CA-SG 3.53Å; F166-C512 HydrophobicContact CB-CB 4.12Å; F166-V544 HydrophobicContact CB-CG2 4.5Å; F166-V544 HydrophobicContact CD2-CG1 4.17Å; F166-A547 HydrophobicContact CD1-CB 3.94Å; F166-A547 HydrophobicContact CE1-CB 3.89Å
167F91.4Very high90.7Very high105 Ų10562.5 Ų62.546%0.46130%0.304SS..Hα-helixtrans-65.6-39.9176.6-76.7-60.6000112.3I163 G164 V165 R170 F171I163-F167 HydrophobicContact CD1-CE2 3.75Å; I163-F167 HydrophobicContact CD1-CZ 4.37Å; I163-F167 HydrophobicContact CG1-CD2 4Å; I163-F167 HydrophobicContact CG1-CE2 3.59Å; I163-F167 HydrophobicContact CG1-CZ 4.41Å; I163-F167 WeakPolarHBondContact O-CD2 3.31Å; I163-F167 PolarHBondContact O-N 3.42Å; G164-F167 PolarHBondContact O-N 3.18Å; V165-F167 PolarHBondContact O-N 2.69Å; F167-R170 PolarHBondContact O-N 3.48Å; F167-F171 WeakPolarHBondContact O-CB 3.5Å; F167-F171 PolarHBondContact O-N 3.47Å
168L91.4Very high90Very high96 Ų9662.9 Ų62.950%0.50331%0.306SS..Hα-helixtrans-60-49.5174.2-177.964.7000111G164 V165 R170 F171 M172G164-L168 WeakPolarHBondContact O-CB 3.28Å; G164-L168 PolarHBondContact O-N 3.07Å; V165-L168 WeakPolarHBondContact O-CB 3.15Å; V165-L168 PolarHBondContact O-N 3.44Å; L168-R170 VanDerWaalsContact C-N 3.33Å; L168-R170 PolarHBondContact O-N 3.05Å; L168-F171 PolarHBondContact O-N 3.36Å; L168-M172 HydrophobicContact CD1-CG 4.01Å; L168-M172 HydrophobicContact CD1-SD 3.52Å; L168-M172 VanDerWaalsContact CD1-SD 3.52Å; L168-M172 HydrophobicContact CD2-SD 4.38Å; L168-M172 HydrophobicContact CG-CG 4.41Å; L168-M172 HydrophobicContact CG-SD 3.73Å; L168-M172 WeakPolarHBondContact O-CB 3.49Å; L168-M172 WeakPolarHBondContact O-CG 3.19Å; L168-M172 PolarHBondContact O-N 2.87Å
169M88.8Confident89.2Confident4 Ų463.4 Ų63.42%0.0231%0.309CS..Hα-helixtrans-61.6-41.2177.2-73.6-51.7-42.900112.3V165 F166 F171 V173 L174 L186 F190 F426V165-M169 HydrophobicContact CG1-CG 4.08Å; V165-M169 WeakPolarHBondContact O-CB 3.29Å; V165-M169 VanDerWaalsContact O-CG 3.24Å; V165-M169 WeakPolarHBondContact O-CG 3.3Å; V165-M169 PolarHBondContact O-N 3.14Å; F166-M169 PolarHBondContact O-N 3.39Å; M169-F171 VanDerWaalsContact C-N 3.33Å; M169-F171 PolarHBondContact O-N 3.37Å; M169-V173 HydrophobicContact CE-CB 4.14Å; M169-V173 HydrophobicContact CE-CG2 3.71Å; M169-V173 PolarHBondContact O-N 2.79Å; M169-L174 PolarHBondContact O-N 2.9Å; M169-L186 HydrophobicContact CE-CD2 3.32Å; M169-L186 HydrophobicContact SD-CD2 3.43Å; M169-L186 WeakPolarHBondContact SD-CD2 3.2Å; M169-F190 HydrophobicContact SD-CE2 4.28Å; M169-F426 HydrophobicContact CE-CE1 3.25Å; M169-F426 HydrophobicContact CE-CZ 3.36Å
170R87.4Confident88.6Confident86 Ų8664.1 Ų64.133%0.32531%0.313SS..Iπ-helixtrans-63.9-39.5177.2-172.8175.6-175.3-177-0.7111.8F166 F167 L168 R175F166-R170 WeakPolarHBondContact O-CB 3.04Å; F166-R170 PolarHBondContact O-N 3.35Å; F167-R170 PolarHBondContact O-N 3.48Å; L168-R170 VanDerWaalsContact C-N 3.33Å; L168-R170 PolarHBondContact O-N 3.05Å; R170-R175 HydrophobicContact CG-CG 4.02Å; R170-R175 WeakPolarHBondContact O-CB 3.49Å; R170-R175 WeakPolarHBondContact O-CG 3.48Å; R170-R175 PolarHBondContact O-N 3.3Å
171F87.8Confident88.1Confident146 Ų14662.5 Ų62.564%0.6430%0.303SS*.Iπ-helixtrans-73.6-45.6178.4177.6-104000112.6F167 L168 M169F167-F171 WeakPolarHBondContact O-CB 3.5Å; F167-F171 PolarHBondContact O-N 3.47Å; L168-F171 PolarHBondContact O-N 3.36Å; M169-F171 VanDerWaalsContact C-N 3.33Å; M169-F171 PolarHBondContact O-N 3.37Å
172M87.6Confident87.7Confident79 Ų7962.5 Ų62.539%0.38930%0.301SS..Iπ-helixtrans-76.3-35.6-175-68.5-177.57400113.4L168 L186L168-M172 HydrophobicContact CD1-CG 4.01Å; L168-M172 HydrophobicContact CD1-SD 3.52Å; L168-M172 VanDerWaalsContact CD1-SD 3.52Å; L168-M172 HydrophobicContact CD2-SD 4.38Å; L168-M172 HydrophobicContact CG-CG 4.41Å; L168-M172 HydrophobicContact CG-SD 3.73Å; L168-M172 WeakPolarHBondContact O-CB 3.49Å; L168-M172 WeakPolarHBondContact O-CG 3.19Å; L168-M172 PolarHBondContact O-N 2.87Å; M172-L186 HydrophobicContact CE-CD1 4.01Å
173V86.6Confident87.3Confident1 Ų162.6 Ų62.61%0.00630%0.301CS..Iπ-helixtrans-123.2-63.3-169.7-178.60000112M169 R175 K176 P179 P182 A183 L186 F426M169-V173 HydrophobicContact CE-CB 4.14Å; M169-V173 HydrophobicContact CE-CG2 3.71Å; M169-V173 PolarHBondContact O-N 2.79Å; V173-R175 VanDerWaalsContact C-N 3.31Å; V173-R175 PolarHBondContact O-N 3.15Å; V173-K176 WeakPolarHBondContact O-CB 3.47Å; V173-K176 PolarHBondContact O-N 2.91Å; V173-P179 HydrophobicContact CG1-CB 4.33Å; V173-P182 HydrophobicContact CG2-CB 4.43Å; V173-A183 HydrophobicContact CG1-CB 3.64Å; V173-L186 HydrophobicContact CG2-CD2 4.15Å; V173-F426 HydrophobicContact CB-CZ 4.33Å; V173-F426 HydrophobicContact CG1-CE2 4.08Å; V173-F426 HydrophobicContact CG1-CZ 3.93Å
174L80.3Confident87.1Confident18 Ų1860.8 Ų60.89%0.09429%0.292CS..Iπ-helixtrans-69.3-23.2-161.6-56.1172.9000114.6M169 R419 F426M169-L174 PolarHBondContact O-N 2.9Å; L174-R419 PolarHBondContact O-NH2 3.41Å; L174-F426 HydrophobicContact CD2-CE2 3.66Å; L174-F426 HydrophobicContact CD2-CZ 4.14Å
175R83.3Confident86.8Confident166 Ų16666.6 Ų66.663%0.62631%0.306SS*.THydrogen-bonded Turntrans-88.3-3.2176.3-75.2-178.7176.6-171.60114.1R170 V173R170-R175 HydrophobicContact CG-CG 4.02Å; R170-R175 WeakPolarHBondContact O-CB 3.49Å; R170-R175 WeakPolarHBondContact O-CG 3.48Å; R170-R175 PolarHBondContact O-N 3.3Å; V173-R175 VanDerWaalsContact C-N 3.31Å; V173-R175 PolarHBondContact O-N 3.15Å
176K83.5Confident86.7Confident107 Ų10766.6 Ų66.647%0.46531%0.305SS..SBendtrans-77.9146179-61.4-65.3-176.61790110.4V173 P182 R419V173-K176 WeakPolarHBondContact O-CB 3.47Å; V173-K176 PolarHBondContact O-N 2.91Å; K176-P182 HydrophobicContact CB-CG 4.2Å; K176-P182 HydrophobicContact CG-CG 4.1Å; K176-R419 PolarHBondContact O-NH2 2.88Å; K176-R419 VanDerWaalsContact O-NH2 3.11Å
177E77.9Confident86.6Confident193 Ų19366.6 Ų66.690%0.90231%0.305SS*.SBendtrans-57.5-53.5178.8-67.6177.5179.400110.5P179 R419E177-P179 VanDerWaalsContact O-CD 3.27Å; E177-P179 WeakPolarHBondContact O-CD 3.16Å; E177-R419 PolarHBondContact O-NH1 3.19Å
178D81.5Confident86.7Confident91 Ų9162.1 Ų62.149%0.48729%0.287SS..SBendtrans-100.996.9165.9-179.310.7000109.9L180 P182D178-L180 VanDerWaalsContact C-N 3.31Å; D178-L180 WeakPolarHBondContact OD1-CB 3.2Å; D178-L180 PolarHBondContact OD1-N 3.17Å; D178-L180 VanDerWaalsContact OD1-N 3.14Å; D178-P182 WeakPolarHBondContact O-CD 3.09Å; D178-P182 WeakPolarHBondContact O-CG 3.33Å
179P81Confident86.8Confident10 Ų1059.3 Ų59.37%0.06528%0.281CS..  trans-76.8-17.3-178.835.8-41.9000112.8V173 E177 A183 R419 E422V173-P179 HydrophobicContact CG1-CB 4.33Å; E177-P179 VanDerWaalsContact O-CD 3.27Å; E177-P179 WeakPolarHBondContact O-CD 3.16Å; P179-A183 WeakPolarHBondContact O-CB 3.28Å; P179-A183 PolarHBondContact O-N 3.29Å; P179-R419 VanDerWaalsContact CG-CZ 3.43Å; P179-R419 VanDerWaalsContact CG-NH2 3.34Å; P179-E422 HydrophobicContact CB-CG 3.74Å; P179-E422 WeakPolarHBondContact CB-OE1 3.29Å; P179-E422 HydrophobicContact CG-CG 3.59Å; P179-E422 WeakPolarHBondContact CG-OE1 3.37Å
180L85Confident86.9Confident15 Ų1560.6 Ų60.68%0.07929%0.286CS..Hα-helixtrans-68.1-49.8-169.817659.9000111.1D178 A183 L184 I247 A421 V425D178-L180 VanDerWaalsContact C-N 3.31Å; D178-L180 WeakPolarHBondContact OD1-CB 3.2Å; D178-L180 PolarHBondContact OD1-N 3.17Å; D178-L180 VanDerWaalsContact OD1-N 3.14Å; L180-A183 PolarHBondContact O-N 3.41Å; L180-L184 HydrophobicContact CD1-CD1 3.96Å; L180-L184 HydrophobicContact CD1-CG 4.05Å; L180-L184 HydrophobicContact CG-CD1 3.99Å; L180-L184 HydrophobicContact CG-CG 4.48Å; L180-L184 WeakPolarHBondContact O-CB 3.42Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 3.04Å; L180-I247 HydrophobicContact CD1-CD1 3.72Å; L180-I247 HydrophobicContact CD1-CG2 4.22Å; L180-I247 HydrophobicContact CD2-CG2 4.15Å; L180-A421 HydrophobicContact CD1-CB 4.4Å; L180-V425 HydrophobicContact CD1-CG2 3.71Å
181E86.9Confident87.2Confident54 Ų5458.1 Ų58.125%0.25228%0.278SS..Hα-helixtrans-65-45.4-179.1-70.9-66.3155.400112.8A183 L184 K185 R244E181-A183 VanDerWaalsContact C-N 3.34Å; E181-A183 PolarHBondContact O-N 3.47Å; E181-L184 PolarHBondContact O-N 3.46Å; E181-K185 WeakPolarHBondContact O-CB 3.04Å; E181-K185 VanDerWaalsContact O-CG 3.29Å; E181-K185 WeakPolarHBondContact O-CG 3.46Å; E181-K185 PolarHBondContact O-N 3.38Å; E181-R244 IonicContact OE1-CZ 2.77Å; E181-R244 IonicContact OE1-NE 2.7Å; E181-R244 PolarHBondContact OE1-NE 2.87Å; E181-R244 VanDerWaalsContact OE1-NE 3.09Å; E181-R244 IonicContact OE1-NH2 3.96Å; E181-R244 PolarHBondContact OE1-NH2 3.19Å
182P88.1Confident87.6Confident35 Ų3551.3 Ų51.323%0.22725%0.249CC..Hα-helixtrans-57.4-42.4169.2-25.534.3000113.4V173 K176 D178 K185 L186V173-P182 HydrophobicContact CG2-CB 4.43Å; K176-P182 HydrophobicContact CB-CG 4.2Å; K176-P182 HydrophobicContact CG-CG 4.1Å; D178-P182 WeakPolarHBondContact O-CD 3.09Å; D178-P182 WeakPolarHBondContact O-CG 3.33Å; P182-K185 PolarHBondContact O-N 3Å; P182-L186 PolarHBondContact O-N 3.1Å; P182-L186 VanDerWaalsContact O-N 3.1Å
183A87.6Confident87.9Confident1 Ų151.6 Ų51.61%0.00826%0.256CS..Hα-helixtrans-62.7-46.2178.600000111.3V173 P179 L180 E181 K185 L186 I187 V425V173-A183 HydrophobicContact CG1-CB 3.64Å; P179-A183 WeakPolarHBondContact O-CB 3.28Å; P179-A183 PolarHBondContact O-N 3.29Å; L180-A183 PolarHBondContact O-N 3.41Å; E181-A183 VanDerWaalsContact C-N 3.34Å; E181-A183 PolarHBondContact O-N 3.47Å; A183-K185 PolarHBondContact O-N 2.86Å; A183-L186 WeakPolarHBondContact O-CB 3.17Å; A183-L186 PolarHBondContact O-N 3.03Å; A183-I187 WeakPolarHBondContact O-CG1 3.46Å; A183-I187 PolarHBondContact O-N 3.34Å; A183-V425 HydrophobicContact CB-CB 4.1Å; A183-V425 HydrophobicContact CB-CG1 3.61Å; A183-V425 HydrophobicContact CB-CG2 4.25Å
184L90.2Very high88.2Confident3 Ų352.3 Ų52.32%0.01626%0.26CS..Hα-helixtrans-62.8-39.6177.3-72.6172.4000112.2L180 E181 L186 I187 P188 V240 V243 R244 V425L180-L184 HydrophobicContact CD1-CD1 3.96Å; L180-L184 HydrophobicContact CD1-CG 4.05Å; L180-L184 HydrophobicContact CG-CD1 3.99Å; L180-L184 HydrophobicContact CG-CG 4.48Å; L180-L184 WeakPolarHBondContact O-CB 3.42Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 3.04Å; E181-L184 PolarHBondContact O-N 3.46Å; L184-L186 VanDerWaalsContact C-N 3.25Å; L184-L186 PolarHBondContact O-N 3.38Å; L184-I187 HydrophobicContact CD2-CD1 3.93Å; L184-I187 PolarHBondContact O-N 2.75Å; L184-P188 WeakPolarHBondContact O-CD 3.17Å; L184-V240 HydrophobicContact CB-CG1 4.34Å; L184-V243 HydrophobicContact CD2-CB 4.35Å; L184-V243 HydrophobicContact CD2-CG1 3.85Å; L184-R244 HydrophobicContact CD1-CB 4.01Å; L184-R244 HydrophobicContact CD1-CG 3.86Å; L184-V425 HydrophobicContact CD2-CG2 4.03Å; L184-V425 HydrophobicContact CG-CG2 4.32Å
185K90.1Very high88.9Confident161 Ų16153.2 Ų53.270%0.727%0.266SS*.Hα-helixtrans-65.6-27.7176.3-75173.6-176175.20112.9E181 P182 A183 P188E181-K185 WeakPolarHBondContact O-CB 3.04Å; E181-K185 VanDerWaalsContact O-CG 3.29Å; E181-K185 WeakPolarHBondContact O-CG 3.46Å; E181-K185 PolarHBondContact O-N 3.38Å; P182-K185 PolarHBondContact O-N 3Å; A183-K185 PolarHBondContact O-N 2.86Å; K185-P188 WeakPolarHBondContact O-CD 3.36Å
186L90.3Very high89.5Confident27 Ų2748.2 Ų48.214%0.14125%0.251CS..Hα-helixtrans-73.8-34.1178.2-173.770.1000112.6M169 M172 V173 P182 A183 L184 G189 F190M169-L186 HydrophobicContact CE-CD2 3.32Å; M169-L186 HydrophobicContact SD-CD2 3.43Å; M169-L186 WeakPolarHBondContact SD-CD2 3.2Å; M172-L186 HydrophobicContact CE-CD1 4.01Å; V173-L186 HydrophobicContact CG2-CD2 4.15Å; P182-L186 PolarHBondContact O-N 3.1Å; P182-L186 VanDerWaalsContact O-N 3.1Å; A183-L186 WeakPolarHBondContact O-CB 3.17Å; A183-L186 PolarHBondContact O-N 3.03Å; L184-L186 VanDerWaalsContact C-N 3.25Å; L184-L186 PolarHBondContact O-N 3.38Å; L186-G189 PolarHBondContact O-N 2.96Å; L186-F190 HydrophobicContact CD1-CD2 4.48Å; L186-F190 HydrophobicContact CD2-CD2 4.25Å; L186-F190 HydrophobicContact CG-CD2 4.19Å; L186-F190 PolarHBondContact O-N 2.94Å
187I91.9Very high90Very high0 Ų045.3 Ų45.30%024%0.243CC..Hα-helixtrans-49.9-53.2-172-58.3174.6000112.8A183 L184 G189 F190 F191 V235 V240 V425 L429A183-I187 WeakPolarHBondContact O-CG1 3.46Å; A183-I187 PolarHBondContact O-N 3.34Å; L184-I187 HydrophobicContact CD2-CD1 3.93Å; L184-I187 PolarHBondContact O-N 2.75Å; I187-G189 PolarHBondContact O-N 3.07Å; I187-F190 WeakPolarHBondContact O-CB 3.06Å; I187-F190 PolarHBondContact O-N 3.26Å; I187-F191 HydrophobicContact CG2-CD2 3.67Å; I187-F191 HydrophobicContact CG2-CE2 3.7Å; I187-F191 WeakPolarHBondContact O-CD2 3.26Å; I187-F191 PolarHBondContact O-N 2.85Å; I187-V235 HydrophobicContact CB-CG1 4.43Å; I187-V235 HydrophobicContact CG2-CG1 3.51Å; I187-V240 HydrophobicContact CB-CG2 4.17Å; I187-V240 HydrophobicContact CD1-CG2 4.43Å; I187-V240 HydrophobicContact CG2-CG2 4.4Å; I187-V425 HydrophobicContact CD1-CG1 3.81Å; I187-V425 HydrophobicContact CG1-CG1 3.98Å; I187-L429 HydrophobicContact CG2-CD2 4.49Å
188P94Very high90.7Very high12 Ų1237 Ų378%0.07820%0.204CC..Hα-helixtrans-60.6-45.5-175.5-22.935000112.9L184 K185 F190 F191 G192 V232 V235 K236 V240L184-P188 WeakPolarHBondContact O-CD 3.17Å; K185-P188 WeakPolarHBondContact O-CD 3.36Å; P188-F190 VanDerWaalsContact C-N 3.28Å; P188-F190 PolarHBondContact O-N 3.28Å; P188-F191 PolarHBondContact O-N 3.42Å; P188-G192 PolarHBondContact O-N 3.16Å; P188-V232 HydrophobicContact CB-CG1 3.97Å; P188-V232 WeakPolarHBondContact O-CG2 3.44Å; P188-V235 HydrophobicContact CB-CB 4.4Å; P188-V235 HydrophobicContact CB-CG1 4.18Å; P188-V235 HydrophobicContact CG-CG1 4.13Å; P188-K236 HydrophobicContact CB-CB 4.04Å; P188-K236 HydrophobicContact CG-CB 3.88Å; P188-K236 HydrophobicContact CG-CG 4.47Å; P188-V240 HydrophobicContact CG-CG2 3.72Å
189G92.5Very high91.3Very high37 Ų3733.2 Ų33.238%0.38119%0.185SC..Hα-helixtrans-63.9-36.7179.700000112.1L186 I187 T193L186-G189 PolarHBondContact O-N 2.96Å; I187-G189 PolarHBondContact O-N 3.07Å; G189-T193 WeakPolarHBondContact O-CB 3.31Å; G189-T193 PolarHBondContact O-N 3.09Å; G189-T193 PolarHBondContact O-OG1 2.64Å
190F91.8Very high92Very high30 Ų3035.5 Ų35.513%0.13219%0.194CC..Hα-helixtrans-67.3-49.5178.3-145.6-91.6000112.5M169 L186 I187 P188 G192 T193 V194 L429 T433 V511 I515M169-F190 HydrophobicContact SD-CE2 4.28Å; L186-F190 HydrophobicContact CD1-CD2 4.48Å; L186-F190 HydrophobicContact CD2-CD2 4.25Å; L186-F190 HydrophobicContact CG-CD2 4.19Å; L186-F190 PolarHBondContact O-N 2.94Å; I187-F190 WeakPolarHBondContact O-CB 3.06Å; I187-F190 PolarHBondContact O-N 3.26Å; P188-F190 VanDerWaalsContact C-N 3.28Å; P188-F190 PolarHBondContact O-N 3.28Å; F190-G192 VanDerWaalsContact C-N 3.34Å; F190-G192 PolarHBondContact O-N 3.1Å; F190-T193 PolarHBondContact O-N 3.02Å; F190-V194 HydrophobicContact CD1-CG2 4.32Å; F190-V194 WeakPolarHBondContact O-CG2 3.36Å; F190-V194 PolarHBondContact O-N 3.02Å; F190-L429 HydrophobicContact CB-CD2 3.83Å; F190-L429 HydrophobicContact CD1-CD2 3.75Å; F190-L429 HydrophobicContact CE1-CD2 4.39Å; F190-L429 HydrophobicContact CG-CD2 3.93Å; F190-T433 HydrophobicContact CE1-CG2 3.87Å; F190-V511 HydrophobicContact CE1-CG1 4.03Å; F190-V511 HydrophobicContact CZ-CG1 3.66Å; F190-I515 HydrophobicContact CE1-CD1 3.31Å; F190-I515 HydrophobicContact CE1-CG1 4.39Å; F190-I515 HydrophobicContact CE2-CD1 4.13Å; F190-I515 HydrophobicContact CZ-CD1 3.01Å; F190-I515 HydrophobicContact CZ-CG1 4.4Å
191F93.7Very high92.3Very high34 Ų3435.1 Ų35.115%0.14919%0.193CC..Hα-helixtrans-58.8-46.6175.5-89.2-107.9000111.3I187 P188 T193 V194 V195 T231 V235 L429 L432I187-F191 HydrophobicContact CG2-CD2 3.67Å; I187-F191 HydrophobicContact CG2-CE2 3.7Å; I187-F191 WeakPolarHBondContact O-CD2 3.26Å; I187-F191 PolarHBondContact O-N 2.85Å; P188-F191 PolarHBondContact O-N 3.42Å; F191-T193 VanDerWaalsContact C-N 3.33Å; F191-T193 PolarHBondContact O-N 3.03Å; F191-V194 PolarHBondContact O-N 3.28Å; F191-V195 WeakPolarHBondContact O-CG2 3.29Å; F191-V195 PolarHBondContact O-N 3.31Å; F191-T231 HydrophobicContact CB-CG2 3.87Å; F191-V235 HydrophobicContact CB-CG1 4.43Å; F191-V235 HydrophobicContact CB-CG2 3.87Å; F191-V235 HydrophobicContact CD1-CG2 3.86Å; F191-V235 HydrophobicContact CD2-CG1 4.4Å; F191-V235 HydrophobicContact CG-CG1 4.32Å; F191-V235 HydrophobicContact CG-CG2 3.9Å; F191-L429 HydrophobicContact CD2-CD2 4Å; F191-L429 HydrophobicContact CE2-CD2 3.81Å; F191-L432 HydrophobicContact CB-CD2 4.23Å; F191-L432 HydrophobicContact CD1-CD1 4.09Å; F191-L432 HydrophobicContact CD1-CD2 3.8Å; F191-L432 HydrophobicContact CD1-CG 4.44Å; F191-L432 HydrophobicContact CD2-CD2 3.62Å; F191-L432 HydrophobicContact CE1-CB 4.19Å; F191-L432 HydrophobicContact CE1-CD1 4.04Å; F191-L432 HydrophobicContact CE1-CD2 3.98Å; F191-L432 HydrophobicContact CE1-CG 4.29Å; F191-L432 HydrophobicContact CE2-CB 4.34Å; F191-L432 HydrophobicContact CE2-CD2 3.83Å; F191-L432 HydrophobicContact CG-CD2 3.61Å; F191-L432 HydrophobicContact CZ-CB 3.93Å; F191-L432 HydrophobicContact CZ-CD2 3.99Å; F191-L432 HydrophobicContact CZ-CG 4.4Å
192G95.9Very high92.6Very high4 Ų433.8 Ų33.84%0.04119%0.187CC..Hα-helixtrans-57.8-43.4175.800000113.2P188 F190 V195 L196P188-G192 PolarHBondContact O-N 3.16Å; F190-G192 VanDerWaalsContact C-N 3.34Å; F190-G192 PolarHBondContact O-N 3.1Å; G192-V195 PolarHBondContact O-N 3.3Å; G192-L196 WeakPolarHBondContact O-CB 3.48Å; G192-L196 PolarHBondContact O-N 2.84Å
193T93.7Very high92.8Very high85 Ų8533.7 Ų33.752%0.52118%0.183SC..Hα-helixtrans-65.8-45.9179.4-57.50000111.6G189 F190 F191 V195 L196 V197G189-T193 WeakPolarHBondContact O-CB 3.31Å; G189-T193 PolarHBondContact O-N 3.09Å; G189-T193 PolarHBondContact O-OG1 2.64Å; F190-T193 PolarHBondContact O-N 3.02Å; F191-T193 VanDerWaalsContact C-N 3.33Å; F191-T193 PolarHBondContact O-N 3.03Å; T193-V195 PolarHBondContact O-N 2.95Å; T193-L196 PolarHBondContact O-N 3.28Å; T193-V197 HydrophobicContact CG2-CG2 4.33Å; T193-V197 WeakPolarHBondContact O-CB 3.28Å; T193-V197 WeakPolarHBondContact O-CG2 3.38Å; T193-V197 PolarHBondContact O-N 3.41Å
194V93.1Very high93Very high15 Ų1537.9 Ų37.99%0.09120%0.2CC..Hα-helixtrans-61.2-45.8177.8172.80000110.6F190 F191 V197 N198 L432 F436F190-V194 HydrophobicContact CD1-CG2 4.32Å; F190-V194 WeakPolarHBondContact O-CG2 3.36Å; F190-V194 PolarHBondContact O-N 3.02Å; F191-V194 PolarHBondContact O-N 3.28Å; V194-V197 PolarHBondContact O-N 3.27Å; V194-N198 WeakPolarHBondContact O-CB 3.48Å; V194-N198 PolarHBondContact O-N 3.11Å; V194-N198 PolarHBondContact O-ND2 3.11Å; V194-L432 HydrophobicContact CB-CD2 4.03Å; V194-L432 HydrophobicContact CB-CG 4.38Å; V194-L432 HydrophobicContact CG1-CD1 4.09Å; V194-L432 HydrophobicContact CG1-CD2 4.31Å; V194-L432 HydrophobicContact CG1-CG 4.11Å; V194-L432 HydrophobicContact CG2-CD2 3.93Å; V194-L432 HydrophobicContact CG2-CG 4.42Å; V194-F436 HydrophobicContact CG1-CB 3.97Å; V194-F436 HydrophobicContact CG1-CD1 4.2Å; V194-F436 HydrophobicContact CG1-CG 4.09Å
195V94.6Very high92.8Very high38 Ų3842.5 Ų42.523%0.2322%0.221CC..Hα-helixtrans-64.2-42.6177.7171.40000111.4F191 G192 T193 S199 L227 T231F191-V195 WeakPolarHBondContact O-CG2 3.29Å; F191-V195 PolarHBondContact O-N 3.31Å; G192-V195 PolarHBondContact O-N 3.3Å; T193-V195 PolarHBondContact O-N 2.95Å; V195-S199 WeakPolarHBondContact O-CB 3.23Å; V195-S199 PolarHBondContact O-N 3.25Å; V195-S199 PolarHBondContact O-OG 3.23Å; V195-L227 HydrophobicContact CG1-CB 3.95Å; V195-T231 HydrophobicContact CB-CG2 4.48Å; V195-T231 HydrophobicContact CG2-CG2 3.91Å
196L95.9Very high92.6Very high60 Ų6035.2 Ų35.231%0.31419%0.191SC..Hα-helixtrans-60.5-51.2177.2-177160.9000111.1G192 T193 N198 S199 F200G192-L196 WeakPolarHBondContact O-CB 3.48Å; G192-L196 PolarHBondContact O-N 2.84Å; T193-L196 PolarHBondContact O-N 3.28Å; L196-N198 PolarHBondContact O-N 3.31Å; L196-S199 PolarHBondContact O-N 3.23Å; L196-F200 VanDerWaalsContact O-CB 3.22Å; L196-F200 WeakPolarHBondContact O-CB 3.42Å; L196-F200 PolarHBondContact O-N 2.83Å
197V94.6Very high92.3Very high46 Ų4634.6 Ų34.628%0.27919%0.189SC..Hα-helixtrans-62.6-42.7-178.6170.20000111.3T193 V194 S201 L519 L522T193-V197 HydrophobicContact CG2-CG2 4.33Å; T193-V197 WeakPolarHBondContact O-CB 3.28Å; T193-V197 WeakPolarHBondContact O-CG2 3.38Å; T193-V197 PolarHBondContact O-N 3.41Å; V194-V197 PolarHBondContact O-N 3.27Å; V197-S201 VanDerWaalsContact O-CB 3.25Å; V197-S201 WeakPolarHBondContact O-CB 3.4Å; V197-S201 PolarHBondContact O-N 2.93Å; V197-L519 HydrophobicContact CG1-CD2 4.19Å; V197-L522 HydrophobicContact CG1-CD2 3.6Å
198N93.1Very high91.8Very high18 Ų1837.4 Ų37.410%0.09621%0.209CC..Hα-helixtrans-69.3-42.7178.2-79.8-81.5000112.3V194 L196 S201 I202 F436 F439V194-N198 WeakPolarHBondContact O-CB 3.48Å; V194-N198 PolarHBondContact O-N 3.11Å; V194-N198 PolarHBondContact O-ND2 3.11Å; L196-N198 PolarHBondContact O-N 3.31Å; N198-S201 WeakPolarHBondContact O-CB 3.44Å; N198-S201 PolarHBondContact O-N 2.94Å; N198-I202 WeakPolarHBondContact O-CD1 3.34Å; N198-I202 VanDerWaalsContact O-CG1 3.28Å; N198-I202 WeakPolarHBondContact O-CG1 3.38Å; N198-I202 PolarHBondContact O-N 3.48Å; N198-F436 WeakPolarHBondContact ND2-CD2 3.43Å; N198-F436 VanDerWaalsContact ND2-CE2 3.3Å; N198-F436 WeakPolarHBondContact ND2-CE2 3.33Å; N198-F436 WeakPolarHBondContact OD1-CD2 3.27Å; N198-F436 VanDerWaalsContact OD1-CE2 3.24Å; N198-F436 WeakPolarHBondContact OD1-CE2 3.43Å; N198-F439 WeakPolarHBondContact OD1-CD1 3.48Å
199S93.5Very high91.1Very high13 Ų1339.3 Ų39.39%0.09122%0.217CC..Hα-helixtrans-63.6-47.1176.9-56.30000110.6V195 L196 S201 I202 F203 L227V195-S199 WeakPolarHBondContact O-CB 3.23Å; V195-S199 PolarHBondContact O-N 3.25Å; V195-S199 PolarHBondContact O-OG 3.23Å; L196-S199 PolarHBondContact O-N 3.23Å; S199-S201 VanDerWaalsContact C-N 3.28Å; S199-S201 PolarHBondContact O-N 2.73Å; S199-I202 PolarHBondContact O-N 3.44Å; S199-I202 VanDerWaalsContact O-N 3.17Å; S199-F203 WeakPolarHBondContact O-CD2 3.43Å; S199-F203 PolarHBondContact O-N 3.11Å; S199-L227 WeakPolarHBondContact OG-CD1 3.1Å
200F94.7Very high90.8Very high57 Ų5740.3 Ų40.325%0.2521%0.214CC..Hα-helixtrans-58.9-44.8176.2-174.8-84.7000110.3L196 F203 Y204 I220 F221 S224L196-F200 VanDerWaalsContact O-CB 3.22Å; L196-F200 WeakPolarHBondContact O-CB 3.42Å; L196-F200 PolarHBondContact O-N 2.83Å; F200-F203 PolarHBondContact O-N 3.05Å; F200-Y204 HydrophobicContact CD1-CG 4.37Å; F200-Y204 VanDerWaalsContact CE1-CB 3.49Å; F200-Y204 HydrophobicContact CE1-CD1 4.06Å; F200-Y204 AromaticContact CE1-CD2 3.95Å; F200-Y204 HydrophobicContact CE1-CD2 3.95Å; F200-Y204 AromaticContact CE1-CG 3.54Å; F200-Y204 HydrophobicContact CE1-CG 3.54Å; F200-Y204 HydrophobicContact CE2-CD2 4.47Å; F200-Y204 AromaticContact CZ-CD2 3.63Å; F200-Y204 HydrophobicContact CZ-CD2 3.63Å; F200-Y204 HydrophobicContact CZ-CE2 4.38Å; F200-Y204 AromaticContact CZ-CG 3.74Å; F200-Y204 HydrophobicContact CZ-CG 3.74Å; F200-Y204 WeakPolarHBondContact O-CA 3.28Å; F200-Y204 WeakPolarHBondContact O-CB 3.19Å; F200-Y204 PolarHBondContact O-N 3.08Å; F200-I220 HydrophobicContact CD2-CG2 3.74Å; F200-I220 HydrophobicContact CE2-CG2 3.88Å; F200-I220 HydrophobicContact CG-CG2 4.42Å; F200-F221 HydrophobicContact CD2-CE1 4.4Å; F200-F221 HydrophobicContact CE2-CD1 4.26Å; F200-F221 AromaticContact CE2-CE1 3.83Å; F200-F221 HydrophobicContact CE2-CE1 3.83Å; F200-F221 HydrophobicContact CE2-CE2 4.28Å; F200-F221 AromaticContact CE2-CZ 3.84Å; F200-F221 HydrophobicContact CE2-CZ 3.84Å; F200-F221 HydrophobicContact CZ-CZ 4.44Å; F200-S224 WeakPolarHBondContact CA-OG 3.45Å; F200-S224 PolarHBondContact N-OG 3.19Å
201S92.6Very high90.5Very high7 Ų745.1 Ų45.15%0.04924%0.235CC..Hα-helixtrans-55.2-59.6172.7-1710000109.6V197 N198 S199 F203 Y204 L522 K526V197-S201 VanDerWaalsContact O-CB 3.25Å; V197-S201 WeakPolarHBondContact O-CB 3.4Å; V197-S201 PolarHBondContact O-N 2.93Å; N198-S201 WeakPolarHBondContact O-CB 3.44Å; N198-S201 PolarHBondContact O-N 2.94Å; S199-S201 VanDerWaalsContact C-N 3.28Å; S199-S201 PolarHBondContact O-N 2.73Å; S201-F203 VanDerWaalsContact C-N 3.29Å; S201-F203 PolarHBondContact O-N 3.12Å; S201-F203 VanDerWaalsContact O-N 3.08Å; S201-Y204 PolarHBondContact O-N 2.81Å; S201-L522 VanDerWaalsContact OG-CD1 3.24Å; S201-L522 WeakPolarHBondContact OG-CD1 3.25Å; S201-K526 WeakPolarHBondContact O-CE 3.19Å; S201-K526 PolarHBondContact O-NZ 2.8Å; S201-K526 WeakPolarHBondContact OG-CE 3.39Å; S201-K526 WeakPolarHBondContact OG-CG 3.22Å
202I92.9Very high90.2Very high26 Ų2645.8 Ų45.813%0.13324%0.238CC..Hα-helixtrans-50.1-45.5-177.5-68.6159.2000113.4L62 N198 S199 G206 F212 F439L62-I202 HydrophobicContact CB-CG1 4.28Å; L62-I202 HydrophobicContact CB-CG2 4.48Å; L62-I202 HydrophobicContact CD1-CD1 3.9Å; L62-I202 HydrophobicContact CD1-CG1 4.11Å; L62-I202 HydrophobicContact CD1-CG2 4.25Å; L62-I202 HydrophobicContact CD2-CG2 4.32Å; N198-I202 WeakPolarHBondContact O-CD1 3.34Å; N198-I202 VanDerWaalsContact O-CG1 3.28Å; N198-I202 WeakPolarHBondContact O-CG1 3.38Å; N198-I202 PolarHBondContact O-N 3.48Å; S199-I202 PolarHBondContact O-N 3.44Å; S199-I202 VanDerWaalsContact O-N 3.17Å; I202-G206 WeakPolarHBondContact O-CA 3.35Å; I202-F212 HydrophobicContact CG2-CD2 3.96Å; I202-F212 HydrophobicContact CG2-CE2 3.68Å; I202-F439 HydrophobicContact CD1-CE1 4.27Å; I202-F439 HydrophobicContact CD1-CE2 4.41Å; I202-F439 HydrophobicContact CD1-CZ 3.7Å; I202-F439 HydrophobicContact CG1-CE1 4.14Å; I202-F439 HydrophobicContact CG1-CZ 3.63Å
203F93.1Very high89.6Confident34 Ų3449.6 Ų49.615%0.14926%0.257CS..Hα-helixtrans-86.8-36.5-174.5-59.3-63.7000114.3S199 F200 S201 E205 G206 F212 I215 I220 I223S199-F203 WeakPolarHBondContact O-CD2 3.43Å; S199-F203 PolarHBondContact O-N 3.11Å; F200-F203 PolarHBondContact O-N 3.05Å; S201-F203 VanDerWaalsContact C-N 3.29Å; S201-F203 PolarHBondContact O-N 3.12Å; S201-F203 VanDerWaalsContact O-N 3.08Å; F203-E205 PolarHBondContact O-N 3.08Å; F203-G206 PolarHBondContact O-N 3.21Å; F203-F212 HydrophobicContact CD1-CD1 4.44Å; F203-F212 AromaticContact CD1-CD2 3.94Å; F203-F212 HydrophobicContact CD1-CD2 3.94Å; F203-F212 HydrophobicContact CD1-CE2 4.1Å; F203-F212 HydrophobicContact CD1-CG 4.13Å; F203-F212 HydrophobicContact CD1-CZ 4.41Å; F203-F212 HydrophobicContact CE1-CD2 4.23Å; F203-F212 HydrophobicContact CE1-CE1 4.25Å; F203-F212 AromaticContact CE1-CE2 3.91Å; F203-F212 HydrophobicContact CE1-CE2 3.91Å; F203-F212 AromaticContact CE1-CZ 3.91Å; F203-F212 HydrophobicContact CE1-CZ 3.91Å; F203-I215 HydrophobicContact CD1-CD1 3.82Å; F203-I215 HydrophobicContact CE1-CD1 4.47Å; F203-I220 HydrophobicContact CB-CB 4.46Å; F203-I220 HydrophobicContact CB-CG1 3.97Å; F203-I220 HydrophobicContact CB-CG2 4.01Å; F203-I223 HydrophobicContact CD2-CG2 3.9Å; F203-I223 HydrophobicContact CE2-CB 4.47Å; F203-I223 HydrophobicContact CE2-CG2 3.39Å; F203-I223 HydrophobicContact CZ-CG2 3.92Å
204Y91.6Very high89.4Confident89 Ų8954.3 Ų54.335%0.34927%0.265SS..THydrogen-bonded Turntrans-70114.8179.6-176.6-94000110.8F200 S201 G206 L217 I220 K526F200-Y204 HydrophobicContact CD1-CG 4.37Å; F200-Y204 VanDerWaalsContact CE1-CB 3.49Å; F200-Y204 HydrophobicContact CE1-CD1 4.06Å; F200-Y204 AromaticContact CE1-CD2 3.95Å; F200-Y204 HydrophobicContact CE1-CD2 3.95Å; F200-Y204 AromaticContact CE1-CG 3.54Å; F200-Y204 HydrophobicContact CE1-CG 3.54Å; F200-Y204 HydrophobicContact CE2-CD2 4.47Å; F200-Y204 AromaticContact CZ-CD2 3.63Å; F200-Y204 HydrophobicContact CZ-CD2 3.63Å; F200-Y204 HydrophobicContact CZ-CE2 4.38Å; F200-Y204 AromaticContact CZ-CG 3.74Å; F200-Y204 HydrophobicContact CZ-CG 3.74Å; F200-Y204 WeakPolarHBondContact O-CA 3.28Å; F200-Y204 WeakPolarHBondContact O-CB 3.19Å; F200-Y204 PolarHBondContact O-N 3.08Å; S201-Y204 PolarHBondContact O-N 2.81Å; Y204-G206 PolarHBondContact O-N 2.72Å; Y204-L217 HydrophobicContact CD2-CD1 3.89Å; Y204-L217 HydrophobicContact CE2-CD1 3.68Å; Y204-I220 HydrophobicContact CD2-CD1 4.35Å; Y204-K526 PolarHBondContact O-NZ 3.07Å
205E86.1Confident89.4Confident99 Ų9955.7 Ų55.746%0.46327%0.271SS..THydrogen-bonded Turntrans46.546.2-169.8-60.3175.3-162.800111.1K66 F203 K526K66-E205 WeakPolarHBondContact CE-O 3.26Å; K66-E205 VanDerWaalsContact NZ-CB 3.28Å; K66-E205 PolarHBondContact NZ-O 2.63Å; K66-E205 IonicContact NZ-OE2 2.81Å; K66-E205 PolarHBondContact NZ-OE2 2.99Å; F203-E205 PolarHBondContact O-N 3.08Å; E205-K526 PolarHBondContact O-NZ 3.26Å
206G85.4Confident89.3Confident8 Ų856.6 Ų56.68%0.08228%0.278CS..  trans-64.4170177.400000112.7I202 F203 Y204 S208I202-G206 WeakPolarHBondContact O-CA 3.35Å; F203-G206 PolarHBondContact O-N 3.21Å; Y204-G206 PolarHBondContact O-N 2.72Å; G206-S208 PolarHBondContact O-N 3.37Å
207P83.2Confident89.2Confident15 Ų1558.3 Ų58.310%0.09729%0.287CS..  trans-65.8129.3-176.628.2-35.4000111.4L62 M209 L210L62-P207 WeakPolarHBondContact O-CD 3.44Å; P207-M209 HydrophobicContact CB-CE 3.93Å; P207-M209 HydrophobicContact CB-CG 4.11Å; P207-M209 HydrophobicContact CB-SD 4.42Å; P207-M209 HydrophobicContact CG-CE 4.21Å; P207-M209 PolarHBondContact O-N 3.48Å; P207-L210 HydrophobicContact CG-CB 4.43Å; P207-L210 HydrophobicContact CG-CD1 4.02Å; P207-L210 HydrophobicContact CG-CG 4.31Å; P207-L210 PolarHBondContact O-N 3.29Å
208S81.9Confident89.3Confident59 Ų5964 Ų6441%0.41331%0.305SS..G310 helixtrans-62.9-25.5-177.555.60000113.6G206 L210 K211 D213G206-S208 PolarHBondContact O-N 3.37Å; S208-L210 PolarHBondContact O-N 3.46Å; S208-K211 PolarHBondContact O-N 2.95Å; S208-D213 WeakPolarHBondContact CA-OD1 3.45Å
209M79.8Confident89.4Confident51 Ų5163.7 Ų63.725%0.25131%0.306SS..G310 helixtrans-61.1-27174.372.2-161.9-176.100113.2V61 P207 I473 L476V61-M209 HydrophobicContact CG1-CE 4.13Å; V61-M209 WeakPolarHBondContact O-CE 3.35Å; P207-M209 HydrophobicContact CB-CE 3.93Å; P207-M209 HydrophobicContact CB-CG 4.11Å; P207-M209 HydrophobicContact CB-SD 4.42Å; P207-M209 HydrophobicContact CG-CE 4.21Å; P207-M209 PolarHBondContact O-N 3.48Å; M209-I473 HydrophobicContact CE-CB 4.34Å; M209-I473 HydrophobicContact CE-CD1 3.99Å; M209-I473 HydrophobicContact CE-CG1 3.8Å; M209-I473 HydrophobicContact SD-CB 3.91Å; M209-I473 HydrophobicContact SD-CD1 4.41Å; M209-I473 HydrophobicContact SD-CG1 4.04Å; M209-L476 HydrophobicContact CE-CD1 3.74Å; M209-L476 HydrophobicContact SD-CD1 4.07Å
210L85.2Confident89.4Confident58 Ų5863.4 Ų63.430%0.30430%0.303SS..G310 helixtrans-97.83175.1-63.7179.7000112.8L62 P207 S208 F212 I473L62-L210 HydrophobicContact CD2-CD1 3.49Å; L62-L210 VanDerWaalsContact CD2-CD1 3.49Å; P207-L210 HydrophobicContact CG-CB 4.43Å; P207-L210 HydrophobicContact CG-CD1 4.02Å; P207-L210 HydrophobicContact CG-CG 4.31Å; P207-L210 PolarHBondContact O-N 3.29Å; S208-L210 PolarHBondContact O-N 3.46Å; L210-F212 HydrophobicContact CB-CD1 3.94Å; L210-F212 HydrophobicContact CB-CD2 4.19Å; L210-F212 HydrophobicContact CB-CE1 4Å; L210-F212 HydrophobicContact CB-CE2 4.24Å; L210-F212 HydrophobicContact CB-CG 4.03Å; L210-F212 HydrophobicContact CB-CZ 4.15Å; L210-F212 HydrophobicContact CD1-CD2 4.3Å; L210-F212 HydrophobicContact CD1-CE2 3.83Å; L210-F212 HydrophobicContact CD1-CZ 4.08Å; L210-F212 WeakPolarHBondContact O-CD1 3.41Å; L210-F212 PolarHBondContact O-N 2.83Å; L210-I473 HydrophobicContact CD2-CD1 3.98Å
211K85Confident89.5Confident132 Ų13265.3 Ų65.357%0.57431%0.312SS*.THydrogen-bonded Turntrans59.519.6-174.9-54.6175.7-178.4172.90114S208 D213 R214S208-K211 PolarHBondContact O-N 2.95Å; K211-D213 VanDerWaalsContact C-N 3.27Å; K211-D213 VanDerWaalsContact CA-OD1 3.27Å; K211-D213 WeakPolarHBondContact CA-OD1 3.49Å; K211-D213 PolarHBondContact O-N 2.94Å; K211-R214 HydrophobicContact CB-CG 4.5Å; K211-R214 WeakPolarHBondContact O-CB 3.2Å; K211-R214 PolarHBondContact O-N 3.11Å
212F87.3Confident89.7Confident48 Ų4870.5 Ų70.521%0.21134%0.338CS..G310 helixtrans-70.7-25.7179.2-71.9-2.9000112.4L62 I202 F203 L210 R214 I215L62-F212 HydrophobicContact CD2-CE2 4.24Å; I202-F212 HydrophobicContact CG2-CD2 3.96Å; I202-F212 HydrophobicContact CG2-CE2 3.68Å; F203-F212 HydrophobicContact CD1-CD1 4.44Å; F203-F212 AromaticContact CD1-CD2 3.94Å; F203-F212 HydrophobicContact CD1-CD2 3.94Å; F203-F212 HydrophobicContact CD1-CE2 4.1Å; F203-F212 HydrophobicContact CD1-CG 4.13Å; F203-F212 HydrophobicContact CD1-CZ 4.41Å; F203-F212 HydrophobicContact CE1-CD2 4.23Å; F203-F212 HydrophobicContact CE1-CE1 4.25Å; F203-F212 AromaticContact CE1-CE2 3.91Å; F203-F212 HydrophobicContact CE1-CE2 3.91Å; F203-F212 AromaticContact CE1-CZ 3.91Å; F203-F212 HydrophobicContact CE1-CZ 3.91Å; L210-F212 HydrophobicContact CB-CD1 3.94Å; L210-F212 HydrophobicContact CB-CD2 4.19Å; L210-F212 HydrophobicContact CB-CE1 4Å; L210-F212 HydrophobicContact CB-CE2 4.24Å; L210-F212 HydrophobicContact CB-CG 4.03Å; L210-F212 HydrophobicContact CB-CZ 4.15Å; L210-F212 HydrophobicContact CD1-CD2 4.3Å; L210-F212 HydrophobicContact CD1-CE2 3.83Å; L210-F212 HydrophobicContact CD1-CZ 4.08Å; L210-F212 WeakPolarHBondContact O-CD1 3.41Å; L210-F212 PolarHBondContact O-N 2.83Å; F212-R214 PolarHBondContact O-N 3.19Å; F212-R214 VanDerWaalsContact O-N 3.16Å; F212-I215 HydrophobicContact CB-CD1 4.36Å; F212-I215 HydrophobicContact CD1-CD1 4.08Å; F212-I215 HydrophobicContact CG-CD1 4.4Å; F212-I215 WeakPolarHBondContact O-CG1 3.05Å; F212-I215 PolarHBondContact O-N 3.09Å; F212-I215 VanDerWaalsContact O-N 3.16Å
213D84.1Confident89.8Confident84 Ų8472.4 Ų72.445%0.44935%0.347SS..G310 helixtrans-59.1-18169.763.2-40.3000113.7S208 K211S208-D213 WeakPolarHBondContact CA-OD1 3.45Å; K211-D213 VanDerWaalsContact C-N 3.27Å; K211-D213 VanDerWaalsContact CA-OD1 3.27Å; K211-D213 WeakPolarHBondContact CA-OD1 3.49Å; K211-D213 PolarHBondContact O-N 2.94Å
214R89.9Confident90Very high183 Ų18370.8 Ų70.869%0.69134%0.341SS*.G310 helixtrans-91-7.1178.7-54.5-173.1-176.3-171.3-3.2114.1K211 F212K211-R214 HydrophobicContact CB-CG 4.5Å; K211-R214 WeakPolarHBondContact O-CB 3.2Å; K211-R214 PolarHBondContact O-N 3.11Å; F212-R214 PolarHBondContact O-N 3.19Å; F212-R214 VanDerWaalsContact O-N 3.16Å
215I91.9Very high90.3Very high44 Ų4468.8 Ų68.823%0.22634%0.339CS..SBendtrans-75.8124.7-179.3-56.5172.9000108.2F203 F212 I220F203-I215 HydrophobicContact CD1-CD1 3.82Å; F203-I215 HydrophobicContact CE1-CD1 4.47Å; F212-I215 HydrophobicContact CB-CD1 4.36Å; F212-I215 HydrophobicContact CD1-CD1 4.08Å; F212-I215 HydrophobicContact CG-CD1 4.4Å; F212-I215 WeakPolarHBondContact O-CG1 3.05Å; F212-I215 PolarHBondContact O-N 3.09Å; F212-I215 VanDerWaalsContact O-N 3.16Å; I215-I220 HydrophobicContact CB-CG1 4.2Å; I215-I220 HydrophobicContact CG2-CG1 3.84Å
216P94.5Very high90.8Very high57 Ų5765.3 Ų65.337%0.3733%0.33SS..  trans-66.8152.9179.428.9-35.2000111Y218 G219 I220P216-Y218 VanDerWaalsContact C-N 3.28Å; P216-Y218 HydrophobicContact CB-CD1 3.74Å; P216-Y218 HydrophobicContact CB-CE1 3.35Å; P216-Y218 HydrophobicContact CG-CD1 4.03Å; P216-Y218 HydrophobicContact CG-CE1 3.39Å; P216-Y218 HydrophobicContact CG-CE2 4Å; P216-Y218 PolarHBondContact O-N 2.89Å; P216-Y218 VanDerWaalsContact O-N 3.16Å; P216-G219 WeakPolarHBondContact O-CA 3.46Å; P216-G219 PolarHBondContact O-N 3.15Å; P216-I220 PolarHBondContact O-N 2.99Å; P216-I220 VanDerWaalsContact O-N 3.11Å
217L93.6Very high91.4Very high97 Ų9768.3 Ų68.351%0.50834%0.343SS..Hα-helixtrans-51.8-43.4-175.4-168.779.7000113.1Y204 G219 I220 F221Y204-L217 HydrophobicContact CD2-CD1 3.89Å; Y204-L217 HydrophobicContact CE2-CD1 3.68Å; L217-G219 VanDerWaalsContact C-N 3.29Å; L217-G219 PolarHBondContact O-N 3.2Å; L217-I220 WeakPolarHBondContact O-CB 3.4Å; L217-I220 PolarHBondContact O-N 3.26Å; L217-F221 HydrophobicContact CD1-CE2 4.18Å; L217-F221 HydrophobicContact CD2-CE2 3.98Å; L217-F221 HydrophobicContact CG-CD2 4.02Å; L217-F221 HydrophobicContact CG-CE2 3.76Å; L217-F221 VanDerWaalsContact O-CD2 3.27Å; L217-F221 WeakPolarHBondContact O-CD2 3.12Å; L217-F221 PolarHBondContact O-N 3.32Å
218Y95.2Very high92Very high164 Ų16467.8 Ų67.864%0.64334%0.341SS*.Hα-helixtrans-62.6-36.3177.468.8-96.3000112.1P216 F221 I222P216-Y218 VanDerWaalsContact C-N 3.28Å; P216-Y218 HydrophobicContact CB-CD1 3.74Å; P216-Y218 HydrophobicContact CB-CE1 3.35Å; P216-Y218 HydrophobicContact CG-CD1 4.03Å; P216-Y218 HydrophobicContact CG-CE1 3.39Å; P216-Y218 HydrophobicContact CG-CE2 4Å; P216-Y218 PolarHBondContact O-N 2.89Å; P216-Y218 VanDerWaalsContact O-N 3.16Å; Y218-F221 PolarHBondContact O-N 3.02Å; Y218-I222 HydrophobicContact CD2-CD1 4.09Å; Y218-I222 VanDerWaalsContact O-CG1 3.24Å; Y218-I222 WeakPolarHBondContact O-CG1 3.37Å; Y218-I222 PolarHBondContact O-N 3.36Å
219G95.3Very high92.8Very high12 Ų1269.9 Ų69.912%0.12435%0.346CS..Hα-helixtrans-65.4-40.2175.800000111.8P216 L217 I222 I223P216-G219 WeakPolarHBondContact O-CA 3.46Å; P216-G219 PolarHBondContact O-N 3.15Å; L217-G219 VanDerWaalsContact C-N 3.29Å; L217-G219 PolarHBondContact O-N 3.2Å; G219-I222 PolarHBondContact O-N 3.19Å; G219-I223 VanDerWaalsContact O-CG1 3.27Å; G219-I223 WeakPolarHBondContact O-CG1 3.42Å; G219-I223 PolarHBondContact O-N 3Å
220I94.9Very high93.6Very high7 Ų772 Ų724%0.03636%0.358CS..Hα-helixtrans-60.7-46.2174.3-63.9162.8000110.7F200 F203 Y204 I215 P216 L217 I223 S224F200-I220 HydrophobicContact CD2-CG2 3.74Å; F200-I220 HydrophobicContact CE2-CG2 3.88Å; F200-I220 HydrophobicContact CG-CG2 4.42Å; F203-I220 HydrophobicContact CB-CB 4.46Å; F203-I220 HydrophobicContact CB-CG1 3.97Å; F203-I220 HydrophobicContact CB-CG2 4.01Å; Y204-I220 HydrophobicContact CD2-CD1 4.35Å; I215-I220 HydrophobicContact CB-CG1 4.2Å; I215-I220 HydrophobicContact CG2-CG1 3.84Å; P216-I220 PolarHBondContact O-N 2.99Å; P216-I220 VanDerWaalsContact O-N 3.11Å; L217-I220 WeakPolarHBondContact O-CB 3.4Å; L217-I220 PolarHBondContact O-N 3.26Å; I220-I223 PolarHBondContact O-N 3.14Å; I220-S224 VanDerWaalsContact O-CB 3.24Å; I220-S224 WeakPolarHBondContact O-CB 3.5Å; I220-S224 PolarHBondContact O-N 3.21Å; I220-S224 PolarHBondContact O-OG 3.13Å
221F96Very high94.2Very high98 Ų9870.4 Ų70.443%0.4335%0.351SS..Hα-helixtrans-63-44.5176.7-82.4-70.3000112.1F200 L217 Y218 I223 S224 C225F200-F221 HydrophobicContact CD2-CE1 4.4Å; F200-F221 HydrophobicContact CE2-CD1 4.26Å; F200-F221 AromaticContact CE2-CE1 3.83Å; F200-F221 HydrophobicContact CE2-CE1 3.83Å; F200-F221 HydrophobicContact CE2-CE2 4.28Å; F200-F221 AromaticContact CE2-CZ 3.84Å; F200-F221 HydrophobicContact CE2-CZ 3.84Å; F200-F221 HydrophobicContact CZ-CZ 4.44Å; L217-F221 HydrophobicContact CD1-CE2 4.18Å; L217-F221 HydrophobicContact CD2-CE2 3.98Å; L217-F221 HydrophobicContact CG-CD2 4.02Å; L217-F221 HydrophobicContact CG-CE2 3.76Å; L217-F221 VanDerWaalsContact O-CD2 3.27Å; L217-F221 WeakPolarHBondContact O-CD2 3.12Å; L217-F221 PolarHBondContact O-N 3.32Å; Y218-F221 PolarHBondContact O-N 3.02Å; F221-I223 PolarHBondContact O-N 3.04Å; F221-S224 PolarHBondContact O-N 3.36Å; F221-C225 WeakPolarHBondContact O-CB 3.32Å; F221-C225 PolarHBondContact O-N 3.32Å; F221-C225 PolarHBondContact O-SG 3.46Å; F221-C225 VanDerWaalsContact O-SG 3.38Å
222I96.8Very high94.8Very high116 Ų11666.4 Ų66.460%0.59534%0.337SS*.Hα-helixtrans-59.5-48.8177.9-70.6165.7000110.8Y218 G219 G226Y218-I222 HydrophobicContact CD2-CD1 4.09Å; Y218-I222 VanDerWaalsContact O-CG1 3.24Å; Y218-I222 WeakPolarHBondContact O-CG1 3.37Å; Y218-I222 PolarHBondContact O-N 3.36Å; G219-I222 PolarHBondContact O-N 3.19Å; I222-G226 WeakPolarHBondContact O-CA 3.15Å; I222-G226 PolarHBondContact O-N 3.46Å
223I95.7Very high95.2Very high65 Ų6568.1 Ų68.133%0.33335%0.348SS..Hα-helixtrans-65.2-49-179.1-65.6165.5000110.3F203 G219 I220 F221 G226 L227F203-I223 HydrophobicContact CD2-CG2 3.9Å; F203-I223 HydrophobicContact CE2-CB 4.47Å; F203-I223 HydrophobicContact CE2-CG2 3.39Å; F203-I223 HydrophobicContact CZ-CG2 3.92Å; G219-I223 VanDerWaalsContact O-CG1 3.27Å; G219-I223 WeakPolarHBondContact O-CG1 3.42Å; G219-I223 PolarHBondContact O-N 3Å; I220-I223 PolarHBondContact O-N 3.14Å; F221-I223 PolarHBondContact O-N 3.04Å; I223-G226 PolarHBondContact O-N 3.18Å; I223-L227 HydrophobicContact CG2-CD1 3.92Å; I223-L227 HydrophobicContact CG2-CG 4.47Å; I223-L227 WeakPolarHBondContact O-CB 3.4Å; I223-L227 VanDerWaalsContact O-CG 3.28Å; I223-L227 WeakPolarHBondContact O-CG 3.26Å; I223-L227 PolarHBondContact O-N 2.98Å
224S96.9Very high95.8Very high1 Ų168.7 Ų68.71%0.00735%0.351CS..Hα-helixtrans-70.7-44.9-173.2-51.50000112.4F200 I220 F221 G228F200-S224 WeakPolarHBondContact CA-OG 3.45Å; F200-S224 PolarHBondContact N-OG 3.19Å; I220-S224 VanDerWaalsContact O-CB 3.24Å; I220-S224 WeakPolarHBondContact O-CB 3.5Å; I220-S224 PolarHBondContact O-N 3.21Å; I220-S224 PolarHBondContact O-OG 3.13Å; F221-S224 PolarHBondContact O-N 3.36Å; S224-G228 PolarHBondContact O-N 3.21Å
225C97.1Very high96.1Very high47 Ų4760.6 Ų60.632%0.31832%0.321SS..Hα-helixtrans-68-38.4174.3-66.20000111.1F221 G228 I229F221-C225 WeakPolarHBondContact O-CB 3.32Å; F221-C225 PolarHBondContact O-N 3.32Å; F221-C225 PolarHBondContact O-SG 3.46Å; F221-C225 VanDerWaalsContact O-SG 3.38Å; C225-G228 PolarHBondContact O-N 3.16Å; C225-I229 WeakPolarHBondContact O-CB 3.17Å; C225-I229 VanDerWaalsContact O-CG1 3.25Å; C225-I229 WeakPolarHBondContact O-CG1 3.39Å; C225-I229 PolarHBondContact O-N 3.47Å
226G97.4Very high96.3Very high26 Ų2664 Ų6427%0.26833%0.334SS..Hα-helixtrans-59.5-50.9175.800000112.3I222 I223 G228 I229 I230I222-G226 WeakPolarHBondContact O-CA 3.15Å; I222-G226 PolarHBondContact O-N 3.46Å; I223-G226 PolarHBondContact O-N 3.18Å; G226-G228 VanDerWaalsContact C-N 3.32Å; G226-G228 PolarHBondContact O-N 3.44Å; G226-I229 PolarHBondContact O-N 3.23Å; G226-I230 WeakPolarHBondContact O-CB 3.4Å; G226-I230 VanDerWaalsContact O-CG1 3.24Å; G226-I230 WeakPolarHBondContact O-CG1 3.33Å; G226-I230 PolarHBondContact O-N 3.33Å
227L97.2Very high96.4Very high70 Ų7067.7 Ų67.737%0.36635%0.345SS..Hα-helixtrans-60.7-40.6175.2-71.7173000112V195 S199 I223 T231V195-L227 HydrophobicContact CG1-CB 3.95Å; S199-L227 WeakPolarHBondContact OG-CD1 3.1Å; I223-L227 HydrophobicContact CG2-CD1 3.92Å; I223-L227 HydrophobicContact CG2-CG 4.47Å; I223-L227 WeakPolarHBondContact O-CB 3.4Å; I223-L227 VanDerWaalsContact O-CG 3.28Å; I223-L227 WeakPolarHBondContact O-CG 3.26Å; I223-L227 PolarHBondContact O-N 2.98Å; L227-T231 WeakPolarHBondContact O-CB 3.39Å; L227-T231 PolarHBondContact O-N 3.26Å; L227-T231 PolarHBondContact O-OG1 2.99Å
228G97.1Very high96.5Very high4 Ų467.7 Ų67.74%0.04134%0.344CS..Hα-helixtrans-59.5-51.5174.200000112.5S224 C225 G226 T231 V232S224-G228 PolarHBondContact O-N 3.21Å; C225-G228 PolarHBondContact O-N 3.16Å; G226-G228 VanDerWaalsContact C-N 3.32Å; G226-G228 PolarHBondContact O-N 3.44Å; G228-T231 WeakPolarHBondContact O-CB 3.34Å; G228-T231 PolarHBondContact O-N 3.16Å; G228-V232 WeakPolarHBondContact O-CG2 3.49Å; G228-V232 PolarHBondContact O-N 3.15Å
229I97.6Very high96.4Very high103 Ų10364 Ų6453%0.52833%0.329SS..Hα-helixtrans-63-46.2180-68.3164.7000111C225 G226 T231 V232 L233C225-I229 WeakPolarHBondContact O-CB 3.17Å; C225-I229 VanDerWaalsContact O-CG1 3.25Å; C225-I229 WeakPolarHBondContact O-CG1 3.39Å; C225-I229 PolarHBondContact O-N 3.47Å; G226-I229 PolarHBondContact O-N 3.23Å; I229-T231 VanDerWaalsContact C-N 3.26Å; I229-T231 PolarHBondContact O-N 2.68Å; I229-V232 WeakPolarHBondContact O-CB 3.47Å; I229-V232 PolarHBondContact O-N 3.36Å; I229-V232 VanDerWaalsContact O-N 3.14Å; I229-L233 HydrophobicContact CG2-CD1 4.18Å; I229-L233 HydrophobicContact CG2-CG 4.46Å; I229-L233 WeakPolarHBondContact O-CG 3.28Å; I229-L233 PolarHBondContact O-N 3Å
230I97.4Very high96.3Very high95 Ų9564.5 Ų64.549%0.48733%0.33SS..Hα-helixtrans-57.3-44.5176.6-69.9166.2000110.1G226 V232 L233 L234G226-I230 WeakPolarHBondContact O-CB 3.4Å; G226-I230 VanDerWaalsContact O-CG1 3.24Å; G226-I230 WeakPolarHBondContact O-CG1 3.33Å; G226-I230 PolarHBondContact O-N 3.33Å; I230-V232 PolarHBondContact O-N 3.43Å; I230-L233 PolarHBondContact O-N 2.71Å; I230-L234 HydrophobicContact CG2-CD1 3.87Å; I230-L234 HydrophobicContact CG2-CG 4.3Å; I230-L234 WeakPolarHBondContact O-CG 3.28Å; I230-L234 PolarHBondContact O-N 2.96Å
231T97Very high96.2Very high26 Ų2666.5 Ų66.516%0.1634%0.343CS..Hα-helixtrans-61-45.6176.7-58.80000111.5F191 V195 L227 G228 I229 L233 L234 V235F191-T231 HydrophobicContact CB-CG2 3.87Å; V195-T231 HydrophobicContact CB-CG2 4.48Å; V195-T231 HydrophobicContact CG2-CG2 3.91Å; L227-T231 WeakPolarHBondContact O-CB 3.39Å; L227-T231 PolarHBondContact O-N 3.26Å; L227-T231 PolarHBondContact O-OG1 2.99Å; G228-T231 WeakPolarHBondContact O-CB 3.34Å; G228-T231 PolarHBondContact O-N 3.16Å; I229-T231 VanDerWaalsContact C-N 3.26Å; I229-T231 PolarHBondContact O-N 2.68Å; T231-L233 VanDerWaalsContact C-N 3.31Å; T231-L233 PolarHBondContact O-N 3.06Å; T231-L234 PolarHBondContact O-N 3.32Å; T231-V235 HydrophobicContact CG2-CG2 4.07Å; T231-V235 VanDerWaalsContact O-CB 3.31Å; T231-V235 WeakPolarHBondContact O-CB 3.27Å; T231-V235 VanDerWaalsContact O-CG2 3.22Å; T231-V235 WeakPolarHBondContact O-CG2 3.49Å; T231-V235 PolarHBondContact O-N 3.12Å
232V97.2Very high95.9Very high47 Ų4765.5 Ų65.529%0.28534%0.342SS..Hα-helixtrans-56.3-46.6175.8173.10000110.6P188 G228 I229 I230 K236P188-V232 HydrophobicContact CB-CG1 3.97Å; P188-V232 WeakPolarHBondContact O-CG2 3.44Å; G228-V232 WeakPolarHBondContact O-CG2 3.49Å; G228-V232 PolarHBondContact O-N 3.15Å; I229-V232 WeakPolarHBondContact O-CB 3.47Å; I229-V232 PolarHBondContact O-N 3.36Å; I229-V232 VanDerWaalsContact O-N 3.14Å; I230-V232 PolarHBondContact O-N 3.43Å; V232-K236 WeakPolarHBondContact O-CB 3.34Å; V232-K236 PolarHBondContact O-N 3.25Å
233L97.4Very high95.6Very high85 Ų8560.1 Ų60.145%0.44532%0.315SS..Hα-helixtrans-64.6-48.6-179.3-64174.1000111.5I229 I230 T231 V235 K236 F237I229-L233 HydrophobicContact CG2-CD1 4.18Å; I229-L233 HydrophobicContact CG2-CG 4.46Å; I229-L233 WeakPolarHBondContact O-CG 3.28Å; I229-L233 PolarHBondContact O-N 3Å; I230-L233 PolarHBondContact O-N 2.71Å; T231-L233 VanDerWaalsContact C-N 3.31Å; T231-L233 PolarHBondContact O-N 3.06Å; L233-V235 PolarHBondContact O-N 2.9Å; L233-K236 PolarHBondContact O-N 3.32Å; L233-F237 HydrophobicContact CB-CD2 4.41Å; L233-F237 HydrophobicContact CD2-CE2 3.93Å; L233-F237 WeakPolarHBondContact O-CB 3.34Å; L233-F237 WeakPolarHBondContact O-CD2 3.49Å; L233-F237 PolarHBondContact O-N 3.46Å
234L96.3Very high95.3Very high96 Ų9662.6 Ų62.650%0.50332%0.32SS..Hα-helixtrans-61.1-45.3178.5-69.4175.8000111.7I230 T231 I238 W239I230-L234 HydrophobicContact CG2-CD1 3.87Å; I230-L234 HydrophobicContact CG2-CG 4.3Å; I230-L234 WeakPolarHBondContact O-CG 3.28Å; I230-L234 PolarHBondContact O-N 2.96Å; T231-L234 PolarHBondContact O-N 3.32Å; L234-I238 HydrophobicContact CD2-CD1 3.91Å; L234-I238 WeakPolarHBondContact O-CA 3.4Å; L234-I238 VanDerWaalsContact O-CB 3.24Å; L234-I238 WeakPolarHBondContact O-CB 3.5Å; L234-I238 PolarHBondContact O-N 2.84Å; L234-W239 PolarHBondContact O-N 3.09Å
235V96.1Very high94.9Very high12 Ų1271 Ų717%0.07335%0.351CS..Iπ-helixtrans-67.3-41.9179.2174.10000110.7I187 P188 F191 T231 L233 W239 V240I187-V235 HydrophobicContact CB-CG1 4.43Å; I187-V235 HydrophobicContact CG2-CG1 3.51Å; P188-V235 HydrophobicContact CB-CB 4.4Å; P188-V235 HydrophobicContact CB-CG1 4.18Å; P188-V235 HydrophobicContact CG-CG1 4.13Å; F191-V235 HydrophobicContact CB-CG1 4.43Å; F191-V235 HydrophobicContact CB-CG2 3.87Å; F191-V235 HydrophobicContact CD1-CG2 3.86Å; F191-V235 HydrophobicContact CD2-CG1 4.4Å; F191-V235 HydrophobicContact CG-CG1 4.32Å; F191-V235 HydrophobicContact CG-CG2 3.9Å; T231-V235 HydrophobicContact CG2-CG2 4.07Å; T231-V235 VanDerWaalsContact O-CB 3.31Å; T231-V235 WeakPolarHBondContact O-CB 3.27Å; T231-V235 VanDerWaalsContact O-CG2 3.22Å; T231-V235 WeakPolarHBondContact O-CG2 3.49Å; T231-V235 PolarHBondContact O-N 3.12Å; L233-V235 PolarHBondContact O-N 2.9Å; V235-W239 HydrophobicContact CB-CB 4.39Å; V235-W239 HydrophobicContact CG1-CB 4.11Å; V235-W239 CarbonylContact O-C 3.6Å; V235-W239 WeakPolarHBondContact O-CB 3.47Å; V235-W239 PolarHBondContact O-N 3.13Å; V235-W239 VanDerWaalsContact O-N 3.13Å; V235-V240 HydrophobicContact CG1-CG2 4.35Å; V235-V240 WeakPolarHBondContact O-CG2 3.28Å; V235-V240 PolarHBondContact O-N 3.32Å
236K95.9Very high94.4Very high115 Ų11575.3 Ų75.350%0.536%0.361SS..Iπ-helixtrans-64-45.7178.8-178.6179.4177.5-179.20112.7P188 V232 L233 P241P188-K236 HydrophobicContact CB-CB 4.04Å; P188-K236 HydrophobicContact CG-CB 3.88Å; P188-K236 HydrophobicContact CG-CG 4.47Å; V232-K236 WeakPolarHBondContact O-CB 3.34Å; V232-K236 PolarHBondContact O-N 3.25Å; L233-K236 PolarHBondContact O-N 3.32Å; K236-P241 WeakPolarHBondContact O-CD 3.24Å
237F96.4Very high93.8Very high135 Ų13574.2 Ų74.259%0.59235%0.349SS*.Iπ-helixtrans-91-24.3-172.4-68.9-64.7000114.1L233 P241L233-F237 HydrophobicContact CB-CD2 4.41Å; L233-F237 HydrophobicContact CD2-CE2 3.93Å; L233-F237 WeakPolarHBondContact O-CB 3.34Å; L233-F237 WeakPolarHBondContact O-CD2 3.49Å; L233-F237 PolarHBondContact O-N 3.46Å; F237-P241 WeakPolarHBondContact O-CG 3.41Å
238I95Very high93.2Very high97 Ų9774.9 Ų74.950%0.49735%0.352SS..Iπ-helixtrans-111-58.9-177.7-53.2176.2000110.2L234 P241 L242L234-I238 HydrophobicContact CD2-CD1 3.91Å; L234-I238 WeakPolarHBondContact O-CA 3.4Å; L234-I238 VanDerWaalsContact O-CB 3.24Å; L234-I238 WeakPolarHBondContact O-CB 3.5Å; L234-I238 PolarHBondContact O-N 2.84Å; I238-P241 WeakPolarHBondContact O-CD 3.16Å; I238-L242 HydrophobicContact CG2-CD1 3.95Å; I238-L242 WeakPolarHBondContact O-CD1 3.43Å; I238-L242 WeakPolarHBondContact O-CG 3.41Å; I238-L242 PolarHBondContact O-N 3.2Å
239W92.8Very high92.5Very high87 Ų8779 Ų7933%0.3338%0.377SS..Iπ-helixtrans-71.7-46.2-169.8-171.2-110.3000113.6L234 V235 L242 V243L234-W239 PolarHBondContact O-N 3.09Å; V235-W239 HydrophobicContact CB-CB 4.39Å; V235-W239 HydrophobicContact CG1-CB 4.11Å; V235-W239 CarbonylContact O-C 3.6Å; V235-W239 WeakPolarHBondContact O-CB 3.47Å; V235-W239 PolarHBondContact O-N 3.13Å; V235-W239 VanDerWaalsContact O-N 3.13Å; W239-L242 WeakPolarHBondContact O-CB 3.3Å; W239-L242 PolarHBondContact O-N 3.41Å; W239-L242 VanDerWaalsContact O-N 3.11Å; W239-V243 HydrophobicContact CD2-CG2 4.07Å; W239-V243 HydrophobicContact CG-CG2 4.18Å; W239-V243 HydrophobicContact CZ2-CG2 4.08Å; W239-V243 VanDerWaalsContact NE1-CG2 3.34Å; W239-V243 WeakPolarHBondContact O-CG2 3.01Å; W239-V243 PolarHBondContact O-N 3.09Å
240V93.4Very high91.6Very high23 Ų2375.1 Ų75.114%0.13936%0.362CS..Hα-helixtrans-58.8-47.9-179.6168.20000111.5L184 I187 P188 V235 L242 V243 R244L184-V240 HydrophobicContact CB-CG1 4.34Å; I187-V240 HydrophobicContact CB-CG2 4.17Å; I187-V240 HydrophobicContact CD1-CG2 4.43Å; I187-V240 HydrophobicContact CG2-CG2 4.4Å; P188-V240 HydrophobicContact CG-CG2 3.72Å; V235-V240 HydrophobicContact CG1-CG2 4.35Å; V235-V240 WeakPolarHBondContact O-CG2 3.28Å; V235-V240 PolarHBondContact O-N 3.32Å; V240-L242 VanDerWaalsContact C-N 3.32Å; V240-L242 PolarHBondContact O-N 2.93Å; V240-V243 PolarHBondContact O-N 3.28Å; V240-R244 VanDerWaalsContact O-CB 3.29Å; V240-R244 WeakPolarHBondContact O-CB 3.48Å; V240-R244 PolarHBondContact O-N 2.85Å
241P92.7Very high90.5Very high48 Ų4873.5 Ų73.531%0.31235%0.353SS..Hα-helixtrans-59.2-38.5173.4-28.136.7000113.7K236 F237 I238 R245K236-P241 WeakPolarHBondContact O-CD 3.24Å; F237-P241 WeakPolarHBondContact O-CG 3.41Å; I238-P241 WeakPolarHBondContact O-CD 3.16Å; P241-R245 WeakPolarHBondContact O-CB 2.98Å; P241-R245 VanDerWaalsContact O-CG 3.24Å; P241-R245 WeakPolarHBondContact O-CG 2.69Å; P241-R245 PolarHBondContact O-N 3.44Å
242L91.4Very high89.4Confident77 Ų7775.4 Ų75.440%0.40337%0.367SS..Hα-helixtrans-67.8-43.3177.7-69.4172.7000112.3I238 W239 V240 R246I238-L242 HydrophobicContact CG2-CD1 3.95Å; I238-L242 WeakPolarHBondContact O-CD1 3.43Å; I238-L242 WeakPolarHBondContact O-CG 3.41Å; I238-L242 PolarHBondContact O-N 3.2Å; W239-L242 WeakPolarHBondContact O-CB 3.3Å; W239-L242 PolarHBondContact O-N 3.41Å; W239-L242 VanDerWaalsContact O-N 3.11Å; V240-L242 VanDerWaalsContact C-N 3.32Å; V240-L242 PolarHBondContact O-N 2.93Å; L242-R246 WeakPolarHBondContact O-CG 3.06Å; L242-R246 PolarHBondContact O-N 2.9Å
243V89.1Confident88.3Confident4 Ų476.2 Ų76.22%0.02438%0.375CS..Hα-helixtrans-63.7-48.4175.3173.90000110L184 W239 V240 R245 R246 I247L184-V243 HydrophobicContact CD2-CB 4.35Å; L184-V243 HydrophobicContact CD2-CG1 3.85Å; W239-V243 HydrophobicContact CD2-CG2 4.07Å; W239-V243 HydrophobicContact CG-CG2 4.18Å; W239-V243 HydrophobicContact CZ2-CG2 4.08Å; W239-V243 VanDerWaalsContact NE1-CG2 3.34Å; W239-V243 WeakPolarHBondContact O-CG2 3.01Å; W239-V243 PolarHBondContact O-N 3.09Å; V240-V243 PolarHBondContact O-N 3.28Å; V243-R245 VanDerWaalsContact C-N 3.35Å; V243-R245 PolarHBondContact O-N 2.85Å; V243-R246 PolarHBondContact O-N 3.47Å; V243-R246 VanDerWaalsContact O-N 3.14Å; V243-I247 HydrophobicContact CG1-CD1 3.65Å; V243-I247 HydrophobicContact CG1-CG1 4.3Å; V243-I247 VanDerWaalsContact O-CG1 3.31Å; V243-I247 WeakPolarHBondContact O-CG1 3.24Å; V243-I247 PolarHBondContact O-N 3.25Å
244R90.1Very high87.1Confident116 Ų11677.1 Ų77.144%0.43837%0.372SS..Hα-helixtrans-56.2-47.1177.7-169.3177.5-165.4-136.82.9111.9E181 L184 V240 R246 I247 L248E181-R244 IonicContact OE1-CZ 2.77Å; E181-R244 IonicContact OE1-NE 2.7Å; E181-R244 PolarHBondContact OE1-NE 2.87Å; E181-R244 VanDerWaalsContact OE1-NE 3.09Å; E181-R244 IonicContact OE1-NH2 3.96Å; E181-R244 PolarHBondContact OE1-NH2 3.19Å; L184-R244 HydrophobicContact CD1-CB 4.01Å; L184-R244 HydrophobicContact CD1-CG 3.86Å; V240-R244 VanDerWaalsContact O-CB 3.29Å; V240-R244 WeakPolarHBondContact O-CB 3.48Å; V240-R244 PolarHBondContact O-N 2.85Å; R244-R246 PolarHBondContact O-N 3.04Å; R244-I247 PolarHBondContact O-N 3.42Å; R244-L248 HydrophobicContact CG-CD1 4Å; R244-L248 WeakPolarHBondContact O-CG 3.32Å; R244-L248 PolarHBondContact O-N 2.88Å; R244-L248 VanDerWaalsContact O-N 3.07Å
245R88.8Confident86.2Confident178 Ų17879.4 Ų79.467%0.67238%0.38SS*.Hα-helixtrans-59.1-46.5176-75.8175.7-176.3-1732.4111.8P241 V243 I247 L248 T249P241-R245 WeakPolarHBondContact O-CB 2.98Å; P241-R245 VanDerWaalsContact O-CG 3.24Å; P241-R245 WeakPolarHBondContact O-CG 2.69Å; P241-R245 PolarHBondContact O-N 3.44Å; V243-R245 VanDerWaalsContact C-N 3.35Å; V243-R245 PolarHBondContact O-N 2.85Å; R245-I247 PolarHBondContact O-N 3.18Å; R245-L248 PolarHBondContact O-N 3.28Å; R245-T249 WeakPolarHBondContact O-CB 3.25Å; R245-T249 PolarHBondContact O-N 3.08Å; R245-T249 PolarHBondContact O-OG1 3.42Å
246R87.2Confident85.3Confident137 Ų13784.4 Ų84.452%0.51741%0.405SS..Hα-helixtrans-61.6-40.8179.3-76.1-173.8-70.5-172.8-1112.9L242 V243 R244 G250L242-R246 WeakPolarHBondContact O-CG 3.06Å; L242-R246 PolarHBondContact O-N 2.9Å; V243-R246 PolarHBondContact O-N 3.47Å; V243-R246 VanDerWaalsContact O-N 3.14Å; R244-R246 PolarHBondContact O-N 3.04Å; R246-G250 PolarHBondContact O-N 2.9Å
247I84.4Confident84.3Confident3 Ų383.4 Ų83.42%0.01541%0.405CS..Hα-helixtrans-66.1-52.5179.3-63.1170.6000109.9L180 V243 R244 R245 T249 G250 E251 A421 Q424 V425L180-I247 HydrophobicContact CD1-CD1 3.72Å; L180-I247 HydrophobicContact CD1-CG2 4.22Å; L180-I247 HydrophobicContact CD2-CG2 4.15Å; V243-I247 HydrophobicContact CG1-CD1 3.65Å; V243-I247 HydrophobicContact CG1-CG1 4.3Å; V243-I247 VanDerWaalsContact O-CG1 3.31Å; V243-I247 WeakPolarHBondContact O-CG1 3.24Å; V243-I247 PolarHBondContact O-N 3.25Å; R244-I247 PolarHBondContact O-N 3.42Å; R245-I247 PolarHBondContact O-N 3.18Å; I247-T249 PolarHBondContact O-N 3.21Å; I247-G250 PolarHBondContact O-N 2.59Å; I247-G250 VanDerWaalsContact O-N 3.14Å; I247-E251 PolarHBondContact O-N 3.39Å; I247-A421 HydrophobicContact CG2-CB 4.31Å; I247-Q424 HydrophobicContact CD1-CB 4.26Å; I247-Q424 HydrophobicContact CG1-CB 4.04Å; I247-V425 HydrophobicContact CD1-CG2 3.5Å
248L83.7Confident83.4Confident84 Ų8484.4 Ų84.444%0.4441%0.409SS..Hα-helixtrans-63.5-41.7-177.4-66.2173.8000112.7R244 R245 G250 E251 S252R244-L248 HydrophobicContact CG-CD1 4Å; R244-L248 WeakPolarHBondContact O-CG 3.32Å; R244-L248 PolarHBondContact O-N 2.88Å; R244-L248 VanDerWaalsContact O-N 3.07Å; R245-L248 PolarHBondContact O-N 3.28Å; L248-G250 VanDerWaalsContact C-N 3.34Å; L248-E251 PolarHBondContact O-N 3.22Å; L248-S252 WeakPolarHBondContact O-CB 3.48Å; L248-S252 PolarHBondContact O-N 3.2Å
249T82.7Confident82.5Confident91 Ų9181.3 Ų81.356%0.55840%0.401SS*.Hα-helixtrans-66.3-37.7175.1-55.70000111.6R245 I247 S253R245-T249 WeakPolarHBondContact O-CB 3.25Å; R245-T249 PolarHBondContact O-N 3.08Å; R245-T249 PolarHBondContact O-OG1 3.42Å; I247-T249 PolarHBondContact O-N 3.21Å; T249-S253 WeakPolarHBondContact O-CB 3.22Å; T249-S253 PolarHBondContact O-N 2.85Å; T249-S253 PolarHBondContact O-OG 3.35Å
250G78.4Confident81.8Confident21 Ų2183.5 Ų83.522%0.21641%0.41CS..Hα-helixtrans-66.4-41.9176.600000112.9R246 I247 L248 S253 R254R246-G250 PolarHBondContact O-N 2.9Å; I247-G250 PolarHBondContact O-N 2.59Å; I247-G250 VanDerWaalsContact O-N 3.14Å; L248-G250 VanDerWaalsContact C-N 3.34Å; G250-S253 PolarHBondContact O-N 2.84Å; G250-R254 WeakPolarHBondContact O-CG 3.46Å; G250-R254 PolarHBondContact O-N 3.07Å
251E74.1Confident81.1Confident61 Ų6188.1 Ų88.129%0.28543%0.429SS..Hα-helixtrans-64.3-46.8175.3-75.5-178.2158.300111.7I247 L248 S253 R254 H255 A421I247-E251 PolarHBondContact O-N 3.39Å; L248-E251 PolarHBondContact O-N 3.22Å; E251-S253 VanDerWaalsContact C-N 3.31Å; E251-S253 PolarHBondContact O-N 3.11Å; E251-R254 PolarHBondContact O-N 3.13Å; E251-H255 PolarHBondContact O-CD2 3.06Å; E251-H255 PolarHBondContact O-N 3.04Å; E251-A421 WeakPolarHBondContact OE1-CB 3.49Å
252S73.7Confident80.4Confident66 Ų6688.9 Ų88.946%0.46244%0.435SS..Hα-helixtrans-57.2-45.8175.5-174.20000111.5L248 R254 H255 I256L248-S252 WeakPolarHBondContact O-CB 3.48Å; L248-S252 PolarHBondContact O-N 3.2Å; S252-R254 PolarHBondContact O-N 3.48Å; S252-H255 PolarHBondContact O-N 3.36Å; S252-I256 VanDerWaalsContact O-CG1 3.3Å; S252-I256 WeakPolarHBondContact O-CG1 3.29Å; S252-I256 PolarHBondContact O-N 3.45Å
253S73.8Confident79.7Confident65 Ų6594.5 Ų94.546%0.45545%0.451SS..Hα-helixtrans-63-41.8177.5-570000112.3T249 G250 E251 I256 L257T249-S253 WeakPolarHBondContact O-CB 3.22Å; T249-S253 PolarHBondContact O-N 2.85Å; T249-S253 PolarHBondContact O-OG 3.35Å; G250-S253 PolarHBondContact O-N 2.84Å; E251-S253 VanDerWaalsContact C-N 3.31Å; E251-S253 PolarHBondContact O-N 3.11Å; S253-I256 PolarHBondContact O-N 3.4Å; S253-L257 VanDerWaalsContact O-CB 3.26Å; S253-L257 WeakPolarHBondContact O-CB 3.28Å; S253-L257 PolarHBondContact O-N 3.42Å
254R73.9Confident79Confident103 Ų103100.3 Ų100.339%0.38948%0.476SS..Hα-helixtrans-64.9-40.2175.7-74.3-177.7-147.1164.26.9112.1G250 E251 S252 L257 K258 P420G250-R254 WeakPolarHBondContact O-CG 3.46Å; G250-R254 PolarHBondContact O-N 3.07Å; E251-R254 PolarHBondContact O-N 3.13Å; S252-R254 PolarHBondContact O-N 3.48Å; R254-L257 PolarHBondContact O-N 3.33Å; R254-K258 WeakPolarHBondContact O-CB 3.43Å; R254-K258 WeakPolarHBondContact O-CG 3.33Å; R254-K258 PolarHBondContact O-N 2.84Å; R254-P420 VanDerWaalsContact NH1-CB 3.32Å
255H76.2Confident78.2Confident145 Ų14597.2 Ų97.267%0.67147%0.472SS*.Hα-helixtrans-63.4-44.3175.8-90.1-83.4000111.5E251 S252 G259E251-H255 PolarHBondContact O-CD2 3.06Å; E251-H255 PolarHBondContact O-N 3.04Å; S252-H255 PolarHBondContact O-N 3.36Å; H255-G259 PolarHBondContact O-N 2.95Å
256I77.2Confident77.4Confident117 Ų11795.9 Ų95.960%0.647%0.471SS*.Hα-helixtrans-60.7-47.2175-68.4166.7000110.6S252 S253 G259 Y260S252-I256 VanDerWaalsContact O-CG1 3.3Å; S252-I256 WeakPolarHBondContact O-CG1 3.29Å; S252-I256 PolarHBondContact O-N 3.45Å; S253-I256 PolarHBondContact O-N 3.4Å; I256-G259 PolarHBondContact O-N 3.37Å; I256-Y260 PolarHBondContact O-N 3.1Å
257L76Confident76.5Confident94 Ų9496.6 Ų96.649%0.49248%0.478SS..Hα-helixtrans-66.5-42.3-177.9-165.472000112S253 R254 G259 Y260 F261S253-L257 VanDerWaalsContact O-CB 3.26Å; S253-L257 WeakPolarHBondContact O-CB 3.28Å; S253-L257 PolarHBondContact O-N 3.42Å; R254-L257 PolarHBondContact O-N 3.33Å; L257-G259 VanDerWaalsContact C-N 3.33Å; L257-G259 PolarHBondContact O-N 3.31Å; L257-Y260 PolarHBondContact O-N 2.85Å; L257-F261 HydrophobicContact CD1-CD2 4.22Å; L257-F261 HydrophobicContact CD1-CE2 3.66Å; L257-F261 HydrophobicContact CD1-CZ 4.4Å; L257-F261 HydrophobicContact CD2-CD2 4.43Å; L257-F261 HydrophobicContact CD2-CE2 3.85Å; L257-F261 HydrophobicContact CG-CD2 3.75Å; L257-F261 HydrophobicContact CG-CE2 3.46Å; L257-F261 VanDerWaalsContact CG-CE2 3.46Å; L257-F261 WeakPolarHBondContact O-CD2 3.31Å; L257-F261 PolarHBondContact O-N 3.33Å
258K77.4Confident75.7Confident156 Ų156104.6 Ų104.668%0.67851%0.513SS*.Hα-helixtrans-59.6-43.3171.4-80-174.6175.5-171.70111.4R254 F261 S262R254-K258 WeakPolarHBondContact O-CB 3.43Å; R254-K258 WeakPolarHBondContact O-CG 3.33Å; R254-K258 PolarHBondContact O-N 2.84Å; K258-F261 PolarHBondContact O-N 3.07Å; K258-S262 VanDerWaalsContact O-CB 3.24Å; K258-S262 WeakPolarHBondContact O-CB 3.07Å; K258-S262 PolarHBondContact O-N 2.8Å
259G75.3Confident74.7Confident32 Ų32106 Ų10633%0.3352%0.52SS..Hα-helixtrans-61-42.6175.200000112.5H255 I256 L257 R263H255-G259 PolarHBondContact O-N 2.95Å; I256-G259 PolarHBondContact O-N 3.37Å; L257-G259 VanDerWaalsContact C-N 3.33Å; L257-G259 PolarHBondContact O-N 3.31Å; G259-R263 WeakPolarHBondContact O-CG 3.29Å; G259-R263 PolarHBondContact O-N 2.97Å
260Y77.4Confident73.7Confident133 Ų133104.3 Ų104.352%0.52251%0.512SS..Hα-helixtrans-64.1-49.5176.1178-100.9000112.4I256 L257 R263 K264I256-Y260 PolarHBondContact O-N 3.1Å; L257-Y260 PolarHBondContact O-N 2.85Å; Y260-R263 PolarHBondContact O-N 3.47Å; Y260-K264 HydrophobicContact CE1-CD 4.46Å; Y260-K264 PolarHBondContact O-N 3.26Å
261F80.4Confident73.1Confident120 Ų120106.7 Ų106.753%0.52652%0.522SS..Hα-helixtrans-66.3-38178.8-77-61.9000112.8L257 K258 R263 K264 S265L257-F261 HydrophobicContact CD1-CD2 4.22Å; L257-F261 HydrophobicContact CD1-CE2 3.66Å; L257-F261 HydrophobicContact CD1-CZ 4.4Å; L257-F261 HydrophobicContact CD2-CD2 4.43Å; L257-F261 HydrophobicContact CD2-CE2 3.85Å; L257-F261 HydrophobicContact CG-CD2 3.75Å; L257-F261 HydrophobicContact CG-CE2 3.46Å; L257-F261 VanDerWaalsContact CG-CE2 3.46Å; L257-F261 WeakPolarHBondContact O-CD2 3.31Å; L257-F261 PolarHBondContact O-N 3.33Å; K258-F261 PolarHBondContact O-N 3.07Å; F261-R263 VanDerWaalsContact C-N 3.35Å; F261-R263 PolarHBondContact O-N 3.42Å; F261-K264 PolarHBondContact O-N 2.94Å; F261-S265 WeakPolarHBondContact O-CB 3.37Å; F261-S265 PolarHBondContact O-N 3.07Å
262S76.4Confident72.5Confident63 Ų63106.4 Ų106.444%0.44153%0.53SS..Hα-helixtrans-61.8-42.4173.7-174.40000111.4K258 K266K258-S262 VanDerWaalsContact O-CB 3.24Å; K258-S262 WeakPolarHBondContact O-CB 3.07Å; K258-S262 PolarHBondContact O-N 2.8Å; S262-K266 WeakPolarHBondContact O-CB 3.31Å; S262-K266 WeakPolarHBondContact O-CG 3.32Å; S262-K266 PolarHBondContact O-N 3.06Å
263R76.9Confident72Confident196 Ų196106.6 Ų106.674%0.7453%0.528SS*.Hα-helixtrans-65.1-42.5174.1-74.8176.9-174.4174.12.3112.6G259 Y260 F261 K266 K267G259-R263 WeakPolarHBondContact O-CG 3.29Å; G259-R263 PolarHBondContact O-N 2.97Å; Y260-R263 PolarHBondContact O-N 3.47Å; F261-R263 VanDerWaalsContact C-N 3.35Å; F261-R263 PolarHBondContact O-N 3.42Å; R263-K266 PolarHBondContact O-N 3.22Å; R263-K267 WeakPolarHBondContact O-CB 3.48Å; R263-K267 PolarHBondContact O-N 3.44Å
264K75.4Confident71.6Confident125 Ų125108 Ų10854%0.54353%0.531SS..Hα-helixtrans-64.5-41.3178-168.4175.3-178.7179.30111.5Y260 F261 K267 K268Y260-K264 HydrophobicContact CE1-CD 4.46Å; Y260-K264 PolarHBondContact O-N 3.26Å; F261-K264 PolarHBondContact O-N 2.94Å; K264-K267 PolarHBondContact O-N 3.46Å; K264-K268 WeakPolarHBondContact O-CB 3.41Å; K264-K268 PolarHBondContact O-N 3.16Å
265S72.8Confident71Confident52 Ų52107.7 Ų107.736%0.36454%0.537SS..Hα-helixtrans-62.9-48.2174-174.60000111.4F261 K267 K268 L269F261-S265 WeakPolarHBondContact O-CB 3.37Å; F261-S265 PolarHBondContact O-N 3.07Å; S265-K267 PolarHBondContact O-N 3.03Å; S265-K268 PolarHBondContact O-N 3.04Å; S265-L269 WeakPolarHBondContact O-CB 3.38Å; S265-L269 PolarHBondContact O-N 3.14Å
266K72.2Confident70.1Confident150 Ų150106.1 Ų106.165%0.65253%0.528SS*.Hα-helixtrans-59.5-40.8175.5-75.5-176.9179.9-171.70113.2S262 R263 L269 S270S262-K266 WeakPolarHBondContact O-CB 3.31Å; S262-K266 WeakPolarHBondContact O-CG 3.32Å; S262-K266 PolarHBondContact O-N 3.06Å; R263-K266 PolarHBondContact O-N 3.22Å; K266-L269 PolarHBondContact O-N 3.33Å; K266-S270 PolarHBondContact O-N 2.97Å
267K69Low68.9Low152 Ų152108 Ų10866%0.66153%0.529SS*.Hα-helixtrans-69.5-37.7177.6-166.4175-177-179.40112.2R263 K264 S265 L269 S270 V271R263-K267 WeakPolarHBondContact O-CB 3.48Å; R263-K267 PolarHBondContact O-N 3.44Å; K264-K267 PolarHBondContact O-N 3.46Å; S265-K267 PolarHBondContact O-N 3.03Å; K267-L269 VanDerWaalsContact C-N 3.33Å; K267-S270 PolarHBondContact O-N 3.01Å; K267-S270 PolarHBondContact O-OG 3.37Å; K267-V271 VanDerWaalsContact O-CG2 3.28Å; K267-V271 WeakPolarHBondContact O-CG2 3.35Å; K267-V271 PolarHBondContact O-N 3.15Å; K267-V271 VanDerWaalsContact O-N 3.09Å
268K67.1Low68Low170 Ų170109.1 Ų109.174%0.73953%0.531SS*.Hα-helixtrans-67-37.4175-157.4179.4-176.4-169.60111.2K264 S265 A272K264-K268 WeakPolarHBondContact O-CB 3.41Å; K264-K268 PolarHBondContact O-N 3.16Å; S265-K268 PolarHBondContact O-N 3.04Å; K268-A272 WeakPolarHBondContact O-CB 3.14Å; K268-A272 PolarHBondContact O-N 3.22Å; K268-A272 VanDerWaalsContact O-N 3.14Å
269L63.2Low66.8Low115 Ų115104.2 Ų104.260%0.60252%0.517SS*.Hα-helixtrans-68.9-41.1174.3-172.964.2000112.2S265 K266 K267 A272 V273S265-L269 WeakPolarHBondContact O-CB 3.38Å; S265-L269 PolarHBondContact O-N 3.14Å; K266-L269 PolarHBondContact O-N 3.33Å; K267-L269 VanDerWaalsContact C-N 3.33Å; L269-A272 PolarHBondContact O-N 2.76Å; L269-V273 VanDerWaalsContact O-CG2 3.29Å; L269-V273 WeakPolarHBondContact O-CG2 3.34Å; L269-V273 PolarHBondContact O-N 3.46Å
270S61Low65.8Low54 Ų54106.7 Ų106.738%0.37852%0.522SS..Hα-helixtrans-64.9-44.6178.172.40000111.9K266 K267 A272 V273 D274K266-S270 PolarHBondContact O-N 2.97Å; K267-S270 PolarHBondContact O-N 3.01Å; K267-S270 PolarHBondContact O-OG 3.37Å; S270-A272 VanDerWaalsContact C-N 3.34Å; S270-A272 PolarHBondContact O-N 2.8Å; S270-V273 PolarHBondContact O-N 3.08Å; S270-V273 VanDerWaalsContact O-N 3.14Å; S270-D274 PolarHBondContact O-N 3.38Å
271V66.5Low64.6Low71 Ų71106.9 Ų106.943%0.4353%0.527SS..Hα-helixtrans-61.1-43.2176.41740000111.1K267 V273 D274 D275K267-V271 VanDerWaalsContact O-CG2 3.28Å; K267-V271 WeakPolarHBondContact O-CG2 3.35Å; K267-V271 PolarHBondContact O-N 3.15Å; K267-V271 VanDerWaalsContact O-N 3.09Å; V271-V273 VanDerWaalsContact C-N 3.26Å; V271-V273 PolarHBondContact O-N 3.17Å; V271-D274 PolarHBondContact O-N 3.23Å; V271-D275 WeakPolarHBondContact O-CB 3.41Å; V271-D275 PolarHBondContact O-N 3.19Å
272A61.4Low63.3Low56 Ų56106.7 Ų106.746%0.46353%0.532SS..Hα-helixtrans-65.2-27.4176.900000113.7K268 L269 S270 K276K268-A272 WeakPolarHBondContact O-CB 3.14Å; K268-A272 PolarHBondContact O-N 3.22Å; K268-A272 VanDerWaalsContact O-N 3.14Å; L269-A272 PolarHBondContact O-N 2.76Å; S270-A272 VanDerWaalsContact C-N 3.34Å; S270-A272 PolarHBondContact O-N 2.8Å; A272-K276 WeakPolarHBondContact O-CB 3.26Å; A272-K276 PolarHBondContact O-N 3.31Å
273V62.9Low62.1Low69 Ų69109.8 Ų109.842%0.41854%0.543SS..Hα-helixtrans-78.5-41.7175.2171.80000111.1L269 S270 V271 K276 Y277L269-V273 VanDerWaalsContact O-CG2 3.29Å; L269-V273 WeakPolarHBondContact O-CG2 3.34Å; L269-V273 PolarHBondContact O-N 3.46Å; S270-V273 PolarHBondContact O-N 3.08Å; S270-V273 VanDerWaalsContact O-N 3.14Å; V271-V273 VanDerWaalsContact C-N 3.26Å; V271-V273 PolarHBondContact O-N 3.17Å; V273-K276 PolarHBondContact O-N 2.84Å; V273-Y277 HydrophobicContact CG1-CD2 4.11Å; V273-Y277 HydrophobicContact CG1-CE2 4.48Å; V273-Y277 PolarHBondContact O-N 3.4Å
274D64.1Low60.7Low94 Ų94108.9 Ų108.950%0.50355%0.545SS..Hα-helixtrans-63.3-45.2177.1-69.4-25.7000110.9S270 V271 K276 Y277 Q278S270-D274 PolarHBondContact O-N 3.38Å; V271-D274 PolarHBondContact O-N 3.23Å; D274-K276 VanDerWaalsContact C-N 3.27Å; D274-K276 PolarHBondContact O-N 2.57Å; D274-Y277 PolarHBondContact O-N 3.39Å; D274-Y277 VanDerWaalsContact O-N 3.15Å; D274-Q278 PolarHBondContact O-N 2.7Å
275D62.4Low59.3Low97 Ų97108 Ų10852%0.51955%0.554SS.*Hα-helixtrans-60.4-36175.1-72.3-21.5000111.9V271 S279V271-D275 WeakPolarHBondContact O-CB 3.41Å; V271-D275 PolarHBondContact O-N 3.19Å; D275-S279 WeakPolarHBondContact O-CB 3.49Å; D275-S279 PolarHBondContact O-N 2.86Å; D275-S279 VanDerWaalsContact O-N 3.11Å; D275-S279 PolarHBondContact O-OG 2.81Å
276K58.2Low57.7Low113 Ų113110.4 Ų110.449%0.49157%0.571SS.*Hα-helixtrans-74.4-32.9177.6-164173.7-173.7176.60112.4A272 V273 D274 S279 I280A272-K276 WeakPolarHBondContact O-CB 3.26Å; A272-K276 PolarHBondContact O-N 3.31Å; V273-K276 PolarHBondContact O-N 2.84Å; D274-K276 VanDerWaalsContact C-N 3.27Å; D274-K276 PolarHBondContact O-N 2.57Å; K276-S279 WeakPolarHBondContact CA-OG 3.49Å; K276-S279 PolarHBondContact O-OG 3.26Å; K276-S279 VanDerWaalsContact O-OG 3.13Å; K276-I280 HydrophobicContact CG-CD1 4.27Å; K276-I280 VanDerWaalsContact O-CD1 3.31Å; K276-I280 WeakPolarHBondContact O-CD1 3.1Å; K276-I280 WeakPolarHBondContact O-CG1 3.45Å; K276-I280 PolarHBondContact O-N 2.92Å
277Y50.4Low55.9Low157 Ų157112.8 Ų112.862%0.61658%0.582SS**Hα-helixtrans-73.6-42.9175.6-103.9-90.2000111.9V273 D274 S279 I280 E281V273-Y277 HydrophobicContact CG1-CD2 4.11Å; V273-Y277 HydrophobicContact CG1-CE2 4.48Å; V273-Y277 PolarHBondContact O-N 3.4Å; D274-Y277 PolarHBondContact O-N 3.39Å; D274-Y277 VanDerWaalsContact O-N 3.15Å; Y277-S279 PolarHBondContact O-N 3.04Å; Y277-I280 PolarHBondContact O-N 3.2Å; Y277-I280 VanDerWaalsContact O-N 3.16Å; Y277-E281 PolarHBondContact O-N 3.4Å
278Q57.3Low54Low116 Ų116116.7 Ų116.754%0.54259%0.592SS.*Hα-helixtrans-63.5-41.7176.4-83.4163.2-26.400112D274 I280 E281 D282D274-Q278 PolarHBondContact O-N 2.7Å; Q278-I280 VanDerWaalsContact C-N 3.26Å; Q278-I280 PolarHBondContact O-N 3.03Å; Q278-E281 PolarHBondContact O-N 3.36Å; Q278-D282 WeakPolarHBondContact O-CB 3.13Å; Q278-D282 PolarHBondContact O-N 3.36Å
279S53.5Low52.4Low54 Ų54114.2 Ų114.238%0.37860%0.596SS.*Hα-helixtrans-67.2-21.5174.755.50000114.5D275 K276 Y277 N283D275-S279 WeakPolarHBondContact O-CB 3.49Å; D275-S279 PolarHBondContact O-N 2.86Å; D275-S279 VanDerWaalsContact O-N 3.11Å; D275-S279 PolarHBondContact O-OG 2.81Å; K276-S279 WeakPolarHBondContact CA-OG 3.49Å; K276-S279 PolarHBondContact O-OG 3.26Å; K276-S279 VanDerWaalsContact O-OG 3.13Å; Y277-S279 PolarHBondContact O-N 3.04Å; S279-N283 WeakPolarHBondContact O-CB 3.12Å; S279-N283 PolarHBondContact O-ND2 2.98Å
280I52.3Low51Low84 Ų84113.9 Ų113.943%0.43160%0.603SS.*Hα-helixtrans-84.5-34.7173.8-69.4168.5000111.5K276 Y277 Q278 K284K276-I280 HydrophobicContact CG-CD1 4.27Å; K276-I280 VanDerWaalsContact O-CD1 3.31Å; K276-I280 WeakPolarHBondContact O-CD1 3.1Å; K276-I280 WeakPolarHBondContact O-CG1 3.45Å; K276-I280 PolarHBondContact O-N 2.92Å; Y277-I280 PolarHBondContact O-N 3.2Å; Y277-I280 VanDerWaalsContact O-N 3.16Å; Q278-I280 VanDerWaalsContact C-N 3.26Å; Q278-I280 PolarHBondContact O-N 3.03Å; I280-K284 PolarHBondContact O-N 2.98Å
281E53.1Low49.6Very low136 Ų136115.9 Ų115.964%0.63662%0.618SS**Hα-helixtrans-70.9-41.7175.5-76.8-170155.400111.8Y277 Q278 N283 K284Y277-E281 PolarHBondContact O-N 3.4Å; Q278-E281 PolarHBondContact O-N 3.36Å; E281-N283 VanDerWaalsContact C-N 3.34Å; E281-N283 PolarHBondContact O-N 3.39Å; E281-K284 PolarHBondContact O-N 3.49Å
282D52.2Low48.1Very low117 Ų117120.3 Ų120.363%0.62664%0.639SS**Hα-helixtrans-66.1-37.3179-71.1-23.2000111.9Q278 K284 S285Q278-D282 WeakPolarHBondContact O-CB 3.13Å; Q278-D282 PolarHBondContact O-N 3.36Å; D282-K284 VanDerWaalsContact C-N 3.32Å; D282-K284 PolarHBondContact O-N 3.34Å; D282-S285 PolarHBondContact O-N 2.98Å; D282-S285 PolarHBondContact O-OG 3.1Å
283N51.7Low46.5Very low127 Ų127126.3 Ų126.368%0.67966%0.657SS**THydrogen-bonded Turntrans-77.2-7.8179.4-82-47000115S279 E281 S285S279-N283 WeakPolarHBondContact O-CB 3.12Å; S279-N283 PolarHBondContact O-ND2 2.98Å; E281-N283 VanDerWaalsContact C-N 3.34Å; E281-N283 PolarHBondContact O-N 3.39Å; N283-S285 VanDerWaalsContact C-N 3.31Å
284K49Very low45.1Very low178 Ų178132 Ų13277%0.77468%0.679SS**THydrogen-bonded Turntrans-82.1-7.2173.6-88179.1178.3173.90113.9I280 E281 D282I280-K284 PolarHBondContact O-N 2.98Å; E281-K284 PolarHBondContact O-N 3.49Å; D282-K284 VanDerWaalsContact C-N 3.32Å; D282-K284 PolarHBondContact O-N 3.34Å
285S45.1Very low43.4Very low105 Ų105133.4 Ų133.473%0.73469%0.691SS**SBendtrans-97.1-5.6-17770.70000115.5D282 N283D282-S285 PolarHBondContact O-N 2.98Å; D282-S285 PolarHBondContact O-OG 3.1Å; N283-S285 VanDerWaalsContact C-N 3.31Å
286S39.4Very low42Very low104 Ų104136.9 Ų136.973%0.72771%0.708SS**  trans-127.4101.6-180-156.50000112.2
287K34.1Very low40.7Very low200 Ų200138.5 Ų138.587%0.8772%0.722SS**  trans-78.1149.7174.6-90.2180177.71740111.2
288R30.1Very low39.8Very low234 Ų234139.4 Ų139.488%0.88373%0.734SS**  trans91.3108.1154.8-81.8177.9169.7176.5-4.1118.4
289S32.7Very low38.7Very low118 Ų118140.6 Ų140.683%0.82574%0.744SS**  98.6134.6124.185.20000118.7
290S34.4Very low37.6Very low107 Ų107143.8 Ų143.875%0.74876%0.761SS**  trans90.4110.6148.6-147.10000117.5
291S30.2Very low36.7Very low97 Ų97149.4 Ų149.468%0.67878%0.779SS**  trans-27.8136.2151.350.40000114
292N35.2Very low35.5Very low164 Ų164148.1 Ų148.188%0.87778%0.78SS**  -154.4132125.7-85.4-24.4000109.2
293H29.1Very low34.7Very low182 Ų182146.7 Ų146.784%0.84378%0.777SS**  trans-95.4114.5179.3-167.748.9000106.7
294E33.7Very low33.8Very low188 Ų188149 Ų14988%0.87978%0.783SS**  trans-140122.8166.1-103.6176.4172.800109.8
295T28.4Very low32.8Very low124 Ų124146.9 Ų146.976%0.76179%0.786SS**  trans-73.3132.7176.436.10000111.6
296I32.8Very low32.2Very low169 Ų169149.4 Ų149.487%0.86779%0.791SS**  trans-140133.8161.3-60.8-177.4000110.3
297D30.7Very low31.8Very low147 Ų147153.2 Ų153.279%0.78680%0.797SS**  trans-53.8152.5-175.6-73.5-57.5000116.8
298M31.2Very low31.5Very low176 Ų176152.2 Ų152.287%0.86780%0.796SS**  trans-11189.8172.2-143-79.5-4800107.8
299D34.3Very low31.5Very low142 Ų142145.6 Ų145.676%0.75979%0.791SS**  trans-65.7155.1176-89.8-34.7000112.7
300T30.1Very low31.3Very low121 Ų121146.4 Ų146.474%0.74279%0.791SS**  trans-66.7132.9-162-49.20000114.2V302T300-V302 HydrophobicContact CG2-CG2 3.84Å
301Y32.3Very low31.2Very low201 Ų201147.2 Ų147.279%0.78879%0.791SS**  trans-108.3112.4163-177.9-100.7000110.4P303Y301-P303 HydrophobicContact CD1-CG 4.36Å; Y301-P303 HydrophobicContact CE1-CB 3.78Å; Y301-P303 HydrophobicContact CE1-CG 3.9Å
302V29.5Very low31Very low109 Ų109145.5 Ų145.566%0.66179%0.789SS**  trans-105.1115.9170.8-179.20000108T300T300-V302 HydrophobicContact CG2-CG2 3.84Å
303P35.2Very low30.9Very low87 Ų87147.1 Ų147.157%0.56579%0.788SS**  trans-87.2123.3169.526.8-21.3000110.9Y301Y301-P303 HydrophobicContact CD1-CG 4.36Å; Y301-P303 HydrophobicContact CE1-CB 3.78Å; Y301-P303 HydrophobicContact CE1-CG 3.9Å
304H32.9Very low30.8Very low175 Ų175149.8 Ų149.881%0.8179%0.791SS**  trans-53.7141.7173-79.5-90.5000113.3
305T28.2Very low30.5Very low135 Ų135147.7 Ų147.783%0.82879%0.785SS**  trans-78.9111.6168.148.50000109.9
306D31.2Very low30.7Very low158 Ų158149 Ų14985%0.84579%0.788SS**  trans-117.6129.3161.4-76.3-37.2000109.8
307E31.2Very low30.8Very low183 Ų183147.2 Ų147.286%0.85579%0.785SS**  trans-62.7169.7174.3-68.1175.5125.400112.3
308E28.2Very low30.9Very low180 Ų180144.3 Ų144.384%0.84178%0.781SS**  trans81.998.5162.8-53.9-164.5147.500118.6
309A29.4Very low30.9Very low95 Ų95148.3 Ų148.379%0.78579%0.786SS**  trans-134.271.9146.200000110V311A309-V311 PolarHBondContact O-N 3.32Å
310V29Very low30.8Very low135 Ų135145 Ų14582%0.81879%0.785SS**  trans-72101.8158.1175.40000107.2G312V310-G312 PolarHBondContact O-N 3.11Å
311V31.9Very low30.8Very low123 Ų123146.8 Ų146.875%0.74579%0.791SS**  trans-89.882.1169.6-175.50000108.7A309 F313A309-V311 PolarHBondContact O-N 3.32Å; V311-F313 HydrophobicContact CG1-CD2 4.11Å
312G26.3Very low30.9Very low62 Ų62143.8 Ų143.864%0.63979%0.794SS**  trans-101.3101.9157.100000108.8V310V310-G312 PolarHBondContact O-N 3.11Å
313F32.8Very low31.1Very low197 Ų197145.9 Ų145.986%0.86480%0.801SS**  trans-99.7109.4170.7-103.2-87.5000110.3V311V311-F313 HydrophobicContact CG1-CD2 4.11Å
314R26.8Very low31.1Very low239 Ų239149.7 Ų149.790%0.90282%0.816SS**  trans-85.3133.4171.1-169.9174177.9166.1-1.9108.2
315N28.4Very low31.1Very low143 Ų143150 Ų15077%0.76582%0.815SS**  trans-52.9147.3176.5-70.5-26.6000113
316N32.6Very low31.4Very low153 Ų153150.5 Ų150.582%0.81881%0.813SS**  -178.8146.4129.9-91.2-16.3000113.6
317V33.7Very low31.6Very low131 Ų131152.7 Ų152.779%0.79482%0.815SS**  trans76104.3159.1-152.40000116
318A32.9Very low31.6Very low85 Ų85150.9 Ų150.970%0.70281%0.811SS**  73.712861.300000115.4
319R31.9Very low31.8Very low260 Ų260150.8 Ų150.898%0.98181%0.81SS**  trans70.1139.7171.8-68.2174.5165.8162.3-5.1115.4
320G32Very low31.9Very low72 Ų72156.7 Ų156.774%0.74281%0.812SS**  cis164.6146.18.100000106.3
321N29.5Very low32.2Very low160 Ų160159.1 Ų159.186%0.85681%0.812SS**  trans-43.7139.1177.1-91-1.9000113.8
322T35.6Very low32.4Very low138 Ų138159.1 Ų159.185%0.84781%0.812SS**  -179.1143.2110.827.70000111.5
323D33.9Very low32.6Very low153 Ų153161.4 Ų161.482%0.81882%0.818SS**  trans-55.4139.6173.3-59.3-65.2000113.9
324N34.4Very low32.7Very low166 Ų166160 Ų16089%0.88881%0.814SS**  -171.1130.2126.7-107.7-28000111.6
325K34.3Very low33Very low182 Ų182156 Ų15679%0.79181%0.812SS**  trans-77.2155.5165.4-81.8179.6170.9177.20110.2
326D34Very low33.1Very low146 Ų146157.1 Ų157.178%0.78182%0.817SS**  trans76.593.1156.2-52.2-24.7000118.8
327K35.7Very low33.2Very low204 Ų204153.1 Ų153.189%0.88781%0.812SS**  trans170.9129.3151.3-98.6167.1-174.7-177.50104.3
328L29.9Very low33Very low145 Ų145153.4 Ų153.476%0.75981%0.814SS**  cis-176.312437.1-174.367.1000106.3
329E33.2Very low33.1Very low177 Ų177157.2 Ų157.283%0.82782%0.821SS**  trans-70.4131.5153.5-68.3175.8151.900108.5
330R31.7Very low32.9Very low219 Ų219154 Ų15483%0.82682%0.816SS**  trans150157.7148.1-86.7172.9-146.3-168.45111.7
331F34.7Very low32.8Very low186 Ų186153.7 Ų153.782%0.81681%0.814SS**  trans91.369.1-173.7-56.7-71.4000112.4
332T35.9Very low33Very low123 Ų123153.6 Ų153.676%0.75581%0.812SS**  43.4105.373.562.40000115.9
333S30.8Very low32.9Very low110 Ų110154.9 Ų154.977%0.76981%0.809SS**  trans28.9120.5131.2-167.90000119.6
334E34.7Very low32.6Very low167 Ų167154.5 Ų154.578%0.7881%0.807SS**  164.3117.4128.2-94.3176.2176.800110.7
335N33.9Very low32.4Very low157 Ų157154.3 Ų154.384%0.8480%0.8SS**  164130.7112.9-99.7-32.7000113.9
336N30.6Very low32.2Very low166 Ų166152.2 Ų152.289%0.88880%0.798SS**  trans-69.1150.4164.5-78.3-35.2000111.4
337G33.7Very low32Very low68 Ų68155.5 Ų155.570%0.70181%0.805SS**  trans17387.5167.300000114.8
338V30.1Very low31.8Very low137 Ų137152.3 Ų152.383%0.8380%0.802SS**  trans38119.3134.5-173.90000117.9
339I34.3Very low31.5Very low166 Ų166149.9 Ų149.985%0.85180%0.798SS**  -158119.1121-67.2-153.3000109.3
340Q28Very low31.4Very low191 Ų191147 Ų14789%0.89380%0.798SS**  trans-79.7153162.9-78.9170.8-3400110.7
341G30.8Very low31.2Very low67 Ų67144.5 Ų144.569%0.69180%0.795SS**  trans157119.915000000117.1
342L34Very low30.9Very low157 Ų157144.5 Ų144.582%0.82280%0.795SS**  trans84.196.3150.8-59157.8000116.8
343E31.8Very low30.5Very low166 Ų166147.4 Ų147.478%0.77680%0.8SS**  68.8102.588.2-85.8-171.1128.400113.7
344N27.6Very low30.5Very low144 Ų144147 Ų14777%0.7779%0.792SS**  69.4109.695.2-112.6-1.6000113.9
345Q31.4Very low30.1Very low162 Ų162148.5 Ų148.576%0.75780%0.796SS**  165.7134.3113.3-88.7-170.63.100113.6
346N30.3Very low30.2Very low138 Ų138146.9 Ų146.974%0.73879%0.794SS**  trans71.898.7147.1-60.8-19.6000119.8
347K29.8Very low30.3Very low216 Ų216144.3 Ų144.394%0.93979%0.789SS**  trans-127.3106.4147-149.5172.8-173.9179.70110.1
348V30.5Very low30Very low136 Ų136148.5 Ų148.582%0.82480%0.796SS**  trans-70.2141.3177.51700000110.4
349S24.5Very low30.3Very low94 Ų94147.6 Ų147.666%0.65779%0.792SS**  trans-74.9139.9176.7-176.10000112.1
350S31.1Very low30.4Very low118 Ų118146.4 Ų146.483%0.82579%0.788SS**  trans-146.789.4151.766.40000109.5
351H27.2Very low30.6Very low165 Ų165145.6 Ų145.676%0.76478%0.784SS**  trans-60.4124.2161.8-95.3-84.9000110.3
352F28.5Very low30.5Very low187 Ų187149.2 Ų149.282%0.8279%0.793SS**  trans-151.587.4153.1-161.8-103.4000108.6V354F352-V354 HydrophobicContact CD1-CG2 3.71Å; F352-V354 HydrophobicContact CE1-CG2 3.21Å; F352-V354 HydrophobicContact CZ-CG2 3.89Å
353E27Very low30.3Very low183 Ų183145 Ų14586%0.85579%0.788SS**  trans-104.5112.8173.5-168.2170.7-176.800108.5
354V31.3Very low30.2Very low101 Ų101146.7 Ų146.761%0.61280%0.795SS**  trans-91.4114177.3177.80000108.4F352F352-V354 HydrophobicContact CD1-CG2 3.71Å; F352-V354 HydrophobicContact CE1-CG2 3.21Å; F352-V354 HydrophobicContact CZ-CG2 3.89Å
355K26.3Very low30.3Very low199 Ų199149.9 Ų149.987%0.86580%0.802SS**PPolyproline II helixtrans-65.2129.5169.7-81.6179.2173.3177.70110.8
356P35.3Very low30.2Very low124 Ų124153.3 Ų153.381%0.80581%0.808SS**PPolyproline II helixtrans-84.6134.9159.90.818.4000110.3
357S32.5Very low30.4Very low111 Ų111153.3 Ų153.378%0.77681%0.808SS**PPolyproline II helixtrans-63141.5174.646.70000113.7
358N28.4Very low30.4Very low156 Ų156150.7 Ų150.783%0.83480%0.799SS**PPolyproline II helixtrans-59.6143.3167.7-98.7-2000111.8
359P36.7Very low30.3Very low118 Ų118151.8 Ų151.877%0.76680%0.8SS**  trans-125.6147.7138.626.9-10.7000111.9
360D34.9Very low30.5Very low142 Ų142152.6 Ų152.676%0.75980%0.797SS**  trans-62.2153.2-165.9-61.2-58000116.6
361E31.8Very low30.3Very low173 Ų173158.8 Ų158.881%0.80880%0.802SS**  trans61.2125.5136.1-76.5-173.1158.100122.2
362T30.5Very low30.4Very low144 Ų144156.7 Ų156.788%0.88380%0.801SS**  trans82.8115.6157.268.70000118.6
363G29.8Very low30.5Very low69 Ų69155.5 Ų155.571%0.71180%0.802SS**SBendtrans118.191.2155.700000115.8
364H29Very low30.6Very low200 Ų200153 Ų15393%0.92680%0.795SS**  trans43.588.6150.9-74.13.8000118.1
365K29.9Very low30.4Very low212 Ų212158.8 Ų158.892%0.92281%0.807SS**  trans-11898.2153.1-79.6-175178.8175.90109.9
366R29.9Very low30.7Very low233 Ų233153.8 Ų153.888%0.87980%0.797SS**  trans-106.5105.5163.8-149.3174-171.6156.71107.6
367N33.2Very low30.3Very low139 Ų139153.3 Ų153.374%0.74380%0.797SS**  trans40.7104.1149.1-56.7-6.5000118.9
368Q30.3Very low30.2Very low160 Ų160153 Ų15375%0.74880%0.795SS**SBendtrans-116.567.5153.1-78.9-161.152.400109.8K504Q368-K504 VanDerWaalsContact NE2-NZ 3.19Å
369L28.5Very low30.3Very low159 Ų159153.8 Ų153.883%0.83280%0.799SS**  trans-163.584.6163.4-115.4122.4000105.9
370N27.6Very low30Very low112 Ų112155.6 Ų155.660%0.59980%0.797SS**  trans177.791.4161.7-94.82000108
371W27.2Very low29.8Very low247 Ų247156.5 Ų156.594%0.93680%0.802SS**  trans-132.320165.6-85.3102.8000112.7
372V30.7Very low29.8Very low121 Ų121153.2 Ų153.273%0.73380%0.804SS**SBendtrans-137.9111172.8179.10000106.3
373L29.3Very low29.9Very low162 Ų162154.3 Ų154.385%0.84880%0.803SS**  trans74.179.2173.7-52.4164000116.4
374D29.2Very low30.3Very low131 Ų131157 Ų15770%0.70181%0.806SS**  trans-14187.3152.6-122.2-15.7000109.7
375Y27.5Very low30.4Very low223 Ų223155.5 Ų155.588%0.87581%0.805SS**  trans-132.973.5162.6-146.5-88.7000104.7
376S31.4Very low30.6Very low94 Ų94149 Ų14966%0.65780%0.797SS**  trans-127.8128.4172.2-162.60000108.8
377S28.1Very low30.8Very low113 Ų113142.7 Ų142.779%0.7979%0.789SS**  trans-57.8121.9-177.845.50000113.4
378S30.3Very low31Very low106 Ų106144.3 Ų144.374%0.74179%0.792SS**  trans-159.782.5163.149.30000110.6
379D30Very low31.2Very low171 Ų171143.8 Ų143.891%0.91479%0.794SS**  trans-138.278.7157.4-92.3-27.3000107.7
380Q31Very low31.2Very low156 Ų156144.1 Ų144.173%0.72980%0.796SS**  trans-138.8124159.6-76.5-167.3-26.400107.6
381N31.3Very low31.6Very low162 Ų162145.7 Ų145.787%0.86681%0.81SS**  trans108.191.5167.9-56.9-18.8000116.3
382A32Very low31.8Very low104 Ų104141.9 Ų141.986%0.8681%0.808SS**  trans-158.682.1139.100000109.3
383I31.5Very low31.8Very low167 Ų167139.4 Ų139.486%0.85681%0.807SS**  trans-89.8118.4158.8-66.4172000105.7
384T37.5Very low31.9Very low126 Ų126141 Ų14177%0.77381%0.807SS**  trans-165.6121.5145.844.50000110.7
385D31.6Very low31.7Very low168 Ų168143.9 Ų143.990%0.89882%0.819SS**  trans60126.7145.3-75.5-22.9000123.1
386G35.1Very low31.8Very low74 Ų74140 Ų14076%0.76381%0.813SS**  trans167.263.2169.600000112.7
387S33.4Very low31.7Very low102 Ų102142 Ų14271%0.71382%0.821SS**  trans-42.5132.1168.248.50000113.8
388H37.3Very low31.7Very low172 Ų172141.9 Ų141.980%0.79682%0.82SS**  trans-169.2111.7137.3-93.7-61.9000112.6
389N35Very low31.6Very low150 Ų150143.2 Ų143.280%0.80282%0.818SS**  trans55.1114.4143.7-64.1-12.9000122.4
390L28.7Very low31.8Very low166 Ų166140.2 Ų140.287%0.86981%0.808SS**  trans-63.7133.9155-73.584.4000111.2
391T36.2Very low32Very low144 Ų144138.9 Ų138.988%0.88381%0.813SS**  trans-151.3144133.246.30000111.5
392N31.6Very low32Very low168 Ų168137.8 Ų137.890%0.89881%0.807SS**  trans-47.6136.8-172.6-63.8-34.8000116.7
393G30.5Very low31.8Very low69 Ų69140.8 Ų140.871%0.71181%0.808SS**  trans157.7109.5153.500000115.6
394K30.5Very low31.8Very low194 Ų194138 Ų13884%0.84380%0.803SS**  trans82.2108.5162.8-56.6177.9179176.70116.6N396K394-N396 PolarHBondContact O-N 3.29Å
395M26.5Very low31.5Very low193 Ų193137.1 Ų137.195%0.95180%0.798SS**  trans-53.9104.3156.4-85177.4176.100109
396N28Very low31.3Very low141 Ų141137.6 Ų137.675%0.75480%0.798SS**  trans-103.8114.2157.1-78.7-11.4000106.8K394 S398K394-N396 PolarHBondContact O-N 3.29Å; N396-S398 VanDerWaalsContact C-N 3.35Å; N396-S398 PolarHBondContact O-N 3.44Å
397V29.3Very low31.1Very low135 Ų135137.1 Ų137.182%0.81879%0.794SS**  trans-6098.3167.4174.80000106.9L399V397-L399 PolarHBondContact O-N 3.1Å
398S28.4Very low30.9Very low112 Ų112141.7 Ų141.778%0.78380%0.804SS**  trans-74.3105.6171.546.80000108.1N396N396-S398 VanDerWaalsContact C-N 3.35Å; N396-S398 PolarHBondContact O-N 3.44Å
399L28.8Very low30.6Very low133 Ų133141.9 Ų141.970%0.69681%0.805SS**  trans-45.1143.2163.5-90.880.8000109.5V397V397-L399 PolarHBondContact O-N 3.1Å
400P34.1Very low30.7Very low108 Ų108140.2 Ų140.270%0.70180%0.803SS**  trans-53.7144.3167.624.9-31.9000108.9N402P400-N402 PolarHBondContact O-N 3.49Å
401P34.7Very low31.2Very low128 Ų128139 Ų13983%0.83180%0.797SS**  trans-54.7129.7-174.124.2-32.2000108.7L403P401-L403 PolarHBondContact O-N 2.99Å
402N31.5Very low31.4Very low140 Ų140137.8 Ų137.875%0.74979%0.792SS**  trans-36.5131.7-179.4-89-47.7000111.9P400 S404P400-N402 PolarHBondContact O-N 3.49Å; N402-S404 PolarHBondContact O-N 2.55Å
403L28.7Very low32.1Very low166 Ų166135.8 Ų135.887%0.86978%0.778SS**  trans-49.186.3148.5-173.974.3000108.4P401 T405P401-L403 PolarHBondContact O-N 2.99Å; L403-T405 PolarHBondContact O-N 2.86Å; L403-T405 PolarHBondContact O-OG1 3.09Å
404S31.5Very low33.2Very low109 Ų109136.4 Ų136.476%0.76277%0.765SS**  trans-74.682.6166.645.40000108.2N402N402-S404 PolarHBondContact O-N 2.55Å
405T29.2Very low34.7Very low108 Ų108129.5 Ų129.566%0.66374%0.741SS**  13.7109.3126.8-15.50000114.8L403 G407L403-T405 PolarHBondContact O-N 2.86Å; L403-T405 PolarHBondContact O-OG1 3.09Å; T405-G407 PolarHBondContact O-N 3.12Å
406I28.9Very low36.9Very low177 Ų177120.9 Ų120.991%0.90870%0.7SS**SBend11.988.1127.1-54.1170.2000111.7
407G29.7Very low39.3Very low65 Ų65120.3 Ų120.367%0.6769%0.691SS**  trans171.737.4-169.800000115T405 E409T405-G407 PolarHBondContact O-N 3.12Å; G407-E409 VanDerWaalsContact C-N 3.34Å; G407-E409 PolarHBondContact O-N 2.84Å
408E30.1Very low41.8Very low197 Ų197114.9 Ų114.992%0.92166%0.657SS**  trans-64.1103.8156-109.4178.3170.400106.5
409E30.1Very low44.4Very low176 Ų176113.9 Ų113.982%0.82264%0.636SS**  trans-52.7132.9159.9-78.6-164.2150.800107.5G407 D411G407-E409 VanDerWaalsContact C-N 3.34Å; G407-E409 PolarHBondContact O-N 2.84Å; E409-D411 PolarHBondContact O-N 2.83Å
410P37.4Very low46.8Very low116 Ų116111.2 Ų111.275%0.75363%0.627SS**  trans-59.6119175.924.8-30.6000107.7P412P410-P412 VanDerWaalsContact O-N 3.1Å
411D38.6Very low49Very low141 Ų141106.7 Ų106.775%0.75460%0.599SS**  trans-37.2119.9167.5-171.516000107.9E409 M413E409-D411 PolarHBondContact O-N 2.83Å; D411-M413 WeakPolarHBondContact O-CA 3.22Å; D411-M413 PolarHBondContact O-N 3.49Å
412P40.4Very low51.4Low118 Ų118101 Ų10177%0.76656%0.56SS**SBendtrans-50.4100.8-168.518.6-35000109.6P410P410-P412 VanDerWaalsContact O-N 3.1Å
413M46.7Very low53.9Low125 Ų12595.4 Ų95.462%0.61653%0.534SS*.  trans-1.8117.4-171-87.7168.354.800114D411 S415D411-M413 WeakPolarHBondContact O-CA 3.22Å; D411-M413 PolarHBondContact O-N 3.49Å; M413-S415 WeakPolarHBondContact O-CA 3.42Å; M413-S415 PolarHBondContact O-N 3.34Å
414D54.3Low56.6Low82 Ų8290.4 Ų90.444%0.43951%0.506SS..  trans-51.591.4153.4-177-2.8000106.8V416 K417D414-V416 PolarHBondContact O-N 2.83Å; D414-K417 PolarHBondContact O-N 3.43Å; D414-K417 WeakPolarHBondContact OD2-CD 3.43Å; D414-K417 VanDerWaalsContact OD2-CE 3.28Å; D414-K417 WeakPolarHBondContact OD2-CE 3.07Å; D414-K417 IonicContact OD2-NZ 3.23Å; D414-K417 PolarHBondContact OD2-NZ 3.21Å
415S62Low59.3Low49 Ų4985.2 Ų85.234%0.34347%0.47SS..THydrogen-bonded Turntrans-63.8-8.3-160.359.60000112.7M413 R548M413-S415 WeakPolarHBondContact O-CA 3.42Å; M413-S415 PolarHBondContact O-N 3.34Å; S415-R548 WeakPolarHBondContact O-CD 3.41Å; S415-R548 WeakPolarHBondContact O-CG 3.42Å; S415-R548 PolarHBondContact O-NE 3.45Å
416V71.9Confident62.3Low13 Ų1380 Ų808%0.07944%0.438CS..THydrogen-bonded Turntrans-84.4-41.6178.2-176.30000111.5D414 K504 S506 R548D414-V416 PolarHBondContact O-N 2.83Å; V416-K504 HydrophobicContact CG1-CB 3.7Å; V416-S506 WeakPolarHBondContact O-CB 3.27Å; V416-S506 PolarHBondContact O-OG 3.32Å; V416-R548 PolarHBondContact O-NE 3.22Å; V416-R548 PolarHBondContact O-NH2 2.86Å
417K78.7Confident65.3Low129 Ų12973.1 Ų73.156%0.56141%0.405SS*.SBendtrans-86146.5-172.7-67.2-178.9-174.6130.30112.8D414 R548D414-K417 PolarHBondContact O-N 3.43Å; D414-K417 WeakPolarHBondContact OD2-CD 3.43Å; D414-K417 VanDerWaalsContact OD2-CE 3.28Å; D414-K417 WeakPolarHBondContact OD2-CE 3.07Å; D414-K417 IonicContact OD2-NZ 3.23Å; D414-K417 PolarHBondContact OD2-NZ 3.21Å; K417-R548 PolarHBondContact O-NH2 3.38Å
418D82.1Confident68.1Low20 Ų2070.9 Ų70.911%0.10738%0.379CS..PPolyproline II helixtrans-83.6151.3172.7-62.7-22.3000110.5E422 A423 S506 P507 S508 R548D418-E422 HydrophobicContact CB-CB 4.27Å; D418-A423 HydrophobicContact CB-CB 4.06Å; D418-S506 VanDerWaalsContact CG-CB 3.46Å; D418-S506 VanDerWaalsContact CG-OG 3.27Å; D418-S506 WeakPolarHBondContact OD1-CB 3.47Å; D418-S506 PolarHBondContact OD1-OG 3.43Å; D418-S506 VanDerWaalsContact OD2-CB 3.31Å; D418-S506 WeakPolarHBondContact OD2-CB 3.37Å; D418-S506 PolarHBondContact OD2-OG 2.99Å; D418-P507 WeakPolarHBondContact OD2-CD 3.33Å; D418-S508 VanDerWaalsContact CG-OG 3.26Å; D418-S508 WeakPolarHBondContact OD1-CB 3.24Å; D418-S508 PolarHBondContact OD1-OG 3.38Å; D418-S508 VanDerWaalsContact OD2-CB 3.3Å; D418-S508 WeakPolarHBondContact OD2-CB 3.47Å; D418-S508 PolarHBondContact OD2-N 2.84Å; D418-S508 PolarHBondContact OD2-OG 2.87Å; D418-R548 IonicContact OD1-CZ 3.68Å; D418-R548 IonicContact OD1-NH2 3.08Å; D418-R548 PolarHBondContact OD1-NH2 2.89Å
419R82.2Confident71.1Confident91 Ų9161.5 Ų61.534%0.34334%0.336SS..PPolyproline II helixtrans-62.4148.6170.6-66.3-179.1-91.9-174.3-4.6109.3L174 K176 E177 P179 A421 E422 A423L174-R419 PolarHBondContact O-NH2 3.41Å; K176-R419 PolarHBondContact O-NH2 2.88Å; K176-R419 VanDerWaalsContact O-NH2 3.11Å; E177-R419 PolarHBondContact O-NH1 3.19Å; P179-R419 VanDerWaalsContact CG-CZ 3.43Å; P179-R419 VanDerWaalsContact CG-NH2 3.34Å; R419-A421 VanDerWaalsContact C-N 3.28Å; R419-A421 PolarHBondContact O-N 3.46Å; R419-A421 VanDerWaalsContact O-N 3.12Å; R419-E422 HydrophobicContact CB-CB 4.36Å; R419-E422 HydrophobicContact CB-CG 3.97Å; R419-E422 WeakPolarHBondContact CB-OE2 3.35Å; R419-E422 IonicContact CZ-OE1 3.32Å; R419-E422 PolarHBondContact N-OE2 3.47Å; R419-E422 IonicContact NE-OE1 2.76Å; R419-E422 PolarHBondContact NE-OE1 2.87Å; R419-E422 IonicContact NE-OE2 3.14Å; R419-E422 IonicContact NH2-OE1 2.75Å; R419-E422 PolarHBondContact NH2-OE1 3.27Å; R419-E422 WeakPolarHBondContact O-CA 3.41Å; R419-E422 WeakPolarHBondContact O-CB 3.32Å; R419-E422 PolarHBondContact O-N 3.02Å; R419-A423 PolarHBondContact O-N 2.92Å
420P81.1Confident74.2Confident78 Ų7853.1 Ų53.151%0.50630%0.296SS..Hα-helixtrans-57.2-35.4-172.9-27.134.3000115.2R254 Q424R254-P420 VanDerWaalsContact NH1-CB 3.32Å; P420-Q424 WeakPolarHBondContact O-CG 3.28Å; P420-Q424 PolarHBondContact O-N 2.56Å
421A79.9Confident76.9Confident13 Ų1350.3 Ų50.311%0.10727%0.274CS..Hα-helixtrans-69.9-42.9175.300000112.1L180 I247 E251 R419 Q424 V425L180-A421 HydrophobicContact CD1-CB 4.4Å; I247-A421 HydrophobicContact CG2-CB 4.31Å; E251-A421 WeakPolarHBondContact OE1-CB 3.49Å; R419-A421 VanDerWaalsContact C-N 3.28Å; R419-A421 PolarHBondContact O-N 3.46Å; R419-A421 VanDerWaalsContact O-N 3.12Å; A421-Q424 PolarHBondContact O-N 3.01Å; A421-V425 PolarHBondContact O-N 3Å
422E83.5Confident79.6Confident7 Ų744.7 Ų44.73%0.03325%0.245CC..Hα-helixtrans-60-49174.7-63.7172165.500110.2P179 D418 R419 Q424 V425 F426P179-E422 HydrophobicContact CB-CG 3.74Å; P179-E422 WeakPolarHBondContact CB-OE1 3.29Å; P179-E422 HydrophobicContact CG-CG 3.59Å; P179-E422 WeakPolarHBondContact CG-OE1 3.37Å; D418-E422 HydrophobicContact CB-CB 4.27Å; R419-E422 HydrophobicContact CB-CB 4.36Å; R419-E422 HydrophobicContact CB-CG 3.97Å; R419-E422 WeakPolarHBondContact CB-OE2 3.35Å; R419-E422 IonicContact CZ-OE1 3.32Å; R419-E422 PolarHBondContact N-OE2 3.47Å; R419-E422 IonicContact NE-OE1 2.76Å; R419-E422 PolarHBondContact NE-OE1 2.87Å; R419-E422 IonicContact NE-OE2 3.14Å; R419-E422 IonicContact NH2-OE1 2.75Å; R419-E422 PolarHBondContact NH2-OE1 3.27Å; R419-E422 WeakPolarHBondContact O-CA 3.41Å; R419-E422 WeakPolarHBondContact O-CB 3.32Å; R419-E422 PolarHBondContact O-N 3.02Å; E422-Q424 PolarHBondContact O-N 2.87Å; E422-V425 PolarHBondContact O-N 2.7Å; E422-F426 HydrophobicContact CB-CD2 4.05Å; E422-F426 HydrophobicContact CB-CE2 4.21Å; E422-F426 WeakPolarHBondContact O-CB 3.2Å; E422-F426 WeakPolarHBondContact O-CD2 3.27Å; E422-F426 PolarHBondContact O-N 3.25Å
423A85.5Confident82.2Confident23 Ų2339.1 Ų39.119%0.1921%0.208CC..Hα-helixtrans-54.6-40.6179.900000111.6D418 R419 S427 P507D418-A423 HydrophobicContact CB-CB 4.06Å; R419-A423 PolarHBondContact O-N 2.92Å; A423-S427 VanDerWaalsContact O-CB 3.28Å; A423-S427 WeakPolarHBondContact O-CB 3.45Å; A423-S427 PolarHBondContact O-N 3.4Å; A423-S427 PolarHBondContact O-OG 3.42Å; A423-P507 HydrophobicContact CB-CG 4.32Å
424Q84.8Confident84.4Confident61 Ų6133.1 Ų33.129%0.28518%0.179SC..Hα-helixtrans-67.9-39.5178-73.6-176.1-26.400113.1I247 P420 A421 E422I247-Q424 HydrophobicContact CD1-CB 4.26Å; I247-Q424 HydrophobicContact CG1-CB 4.04Å; P420-Q424 WeakPolarHBondContact O-CG 3.28Å; P420-Q424 PolarHBondContact O-N 2.56Å; A421-Q424 PolarHBondContact O-N 3.01Å; E422-Q424 PolarHBondContact O-N 2.87Å
425V88.6Confident86.4Confident0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-66.7-50.1174.4173.80000110.5L180 A183 L184 I187 I247 A421 E422 S427 S428 L429L180-V425 HydrophobicContact CD1-CG2 3.71Å; A183-V425 HydrophobicContact CB-CB 4.1Å; A183-V425 HydrophobicContact CB-CG1 3.61Å; A183-V425 HydrophobicContact CB-CG2 4.25Å; L184-V425 HydrophobicContact CD2-CG2 4.03Å; L184-V425 HydrophobicContact CG-CG2 4.32Å; I187-V425 HydrophobicContact CD1-CG1 3.81Å; I187-V425 HydrophobicContact CG1-CG1 3.98Å; I247-V425 HydrophobicContact CD1-CG2 3.5Å; A421-V425 PolarHBondContact O-N 3Å; E422-V425 PolarHBondContact O-N 2.7Å; V425-S427 VanDerWaalsContact C-N 3.27Å; V425-S427 PolarHBondContact O-N 3.32Å; V425-S428 PolarHBondContact O-N 3.5Å; V425-S428 VanDerWaalsContact O-N 3.13Å; V425-L429 PolarHBondContact O-N 3.35Å
426F91.7Very high88Confident0 Ų029 Ų290%015%0.154CC..Hα-helixtrans-65.4-29.3-179.3-77.7-65.4000113M169 V173 L174 E422 S428 L429 Q430 P507 V511M169-F426 HydrophobicContact CE-CE1 3.25Å; M169-F426 HydrophobicContact CE-CZ 3.36Å; V173-F426 HydrophobicContact CB-CZ 4.33Å; V173-F426 HydrophobicContact CG1-CE2 4.08Å; V173-F426 HydrophobicContact CG1-CZ 3.93Å; L174-F426 HydrophobicContact CD2-CE2 3.66Å; L174-F426 HydrophobicContact CD2-CZ 4.14Å; E422-F426 HydrophobicContact CB-CD2 4.05Å; E422-F426 HydrophobicContact CB-CE2 4.21Å; E422-F426 WeakPolarHBondContact O-CB 3.2Å; E422-F426 WeakPolarHBondContact O-CD2 3.27Å; E422-F426 PolarHBondContact O-N 3.25Å; F426-S428 VanDerWaalsContact C-N 3.28Å; F426-S428 PolarHBondContact O-N 2.83Å; F426-L429 HydrophobicContact CD1-CD1 3.99Å; F426-L429 HydrophobicContact CE1-CD1 4.15Å; F426-L429 CarbonylContact O-C 3.54Å; F426-L429 PolarHBondContact O-N 3.2Å; F426-Q430 VanDerWaalsContact O-CB 3.31Å; F426-Q430 WeakPolarHBondContact O-CB 3.24Å; F426-Q430 PolarHBondContact O-N 2.85Å; F426-P507 HydrophobicContact CB-CB 3.69Å; F426-V511 HydrophobicContact CD1-CG2 4.25Å
427S91.7Very high89.1Confident31 Ų3128.8 Ų28.822%0.21715%0.154CC..Hα-helixtrans-56.7-43.5172-65.80000111.5V42 A423 V425 L429 Q430 I431V42-S427 VanDerWaalsContact CG1-O 3.29Å; V42-S427 WeakPolarHBondContact CG1-O 3.36Å; V42-S427 WeakPolarHBondContact CG2-OG 3.27Å; A423-S427 VanDerWaalsContact O-CB 3.28Å; A423-S427 WeakPolarHBondContact O-CB 3.45Å; A423-S427 PolarHBondContact O-N 3.4Å; A423-S427 PolarHBondContact O-OG 3.42Å; V425-S427 VanDerWaalsContact C-N 3.27Å; V425-S427 PolarHBondContact O-N 3.32Å; S427-L429 PolarHBondContact O-N 2.87Å; S427-Q430 PolarHBondContact O-N 2.65Å; S427-I431 WeakPolarHBondContact O-CG1 3.43Å; S427-I431 PolarHBondContact O-N 2.86Å; S427-I431 VanDerWaalsContact O-N 3.1Å
428S89.7Confident89.9Confident18 Ų1822.7 Ų22.713%0.12613%0.128CC..Hα-helixtrans-66.7-38.8178.6-610000112V425 F426V425-S428 PolarHBondContact O-N 3.5Å; V425-S428 VanDerWaalsContact O-N 3.13Å; F426-S428 VanDerWaalsContact C-N 3.28Å; F426-S428 PolarHBondContact O-N 2.83Å
429L92.8Very high90.5Very high0 Ų022.6 Ų22.60%013%0.126CC..Hα-helixtrans-68.1-37.7175.4-70.4170.6000111.5I187 F190 F191 V425 F426 S427 I431 L432 T433 V511I187-L429 HydrophobicContact CG2-CD2 4.49Å; F190-L429 HydrophobicContact CB-CD2 3.83Å; F190-L429 HydrophobicContact CD1-CD2 3.75Å; F190-L429 HydrophobicContact CE1-CD2 4.39Å; F190-L429 HydrophobicContact CG-CD2 3.93Å; F191-L429 HydrophobicContact CD2-CD2 4Å; F191-L429 HydrophobicContact CE2-CD2 3.81Å; V425-L429 PolarHBondContact O-N 3.35Å; F426-L429 HydrophobicContact CD1-CD1 3.99Å; F426-L429 HydrophobicContact CE1-CD1 4.15Å; F426-L429 CarbonylContact O-C 3.54Å; F426-L429 PolarHBondContact O-N 3.2Å; S427-L429 PolarHBondContact O-N 2.87Å; L429-I431 VanDerWaalsContact C-N 3.35Å; L429-I431 PolarHBondContact O-N 3.47Å; L429-L432 WeakPolarHBondContact O-CB 3.19Å; L429-L432 PolarHBondContact O-N 3.09Å; L429-T433 WeakPolarHBondContact O-CG2 3.41Å; L429-T433 PolarHBondContact O-N 3.36Å; L429-T433 PolarHBondContact O-OG1 3.41Å; L429-V511 HydrophobicContact CB-CG2 3.72Å
430Q94.6Very high91.2Very high0 Ų018.2 Ų18.20%011%0.11CC..Hα-helixtrans-67.1-37.5-178.8-162.5-178.82.700111.6T36 S37 V42 F426 S427 L432 T433 A434 P507 V511 E514T36-Q430 PolarHBondContact O-NE2 2.97Å; S37-Q430 VanDerWaalsContact CA-NE2 3.25Å; V42-Q430 HydrophobicContact CG1-CB 4.39Å; F426-Q430 VanDerWaalsContact O-CB 3.31Å; F426-Q430 WeakPolarHBondContact O-CB 3.24Å; F426-Q430 PolarHBondContact O-N 2.85Å; S427-Q430 PolarHBondContact O-N 2.65Å; Q430-L432 VanDerWaalsContact C-N 3.29Å; Q430-L432 PolarHBondContact O-N 3.44Å; Q430-T433 VanDerWaalsContact CA-OG1 3.27Å; Q430-T433 WeakPolarHBondContact CA-OG1 3.47Å; Q430-T433 PolarHBondContact O-N 3.34Å; Q430-T433 PolarHBondContact O-OG1 3.38Å; Q430-T433 VanDerWaalsContact O-OG1 3.09Å; Q430-A434 VanDerWaalsContact O-CB 3.31Å; Q430-A434 WeakPolarHBondContact O-CB 3.42Å; Q430-A434 PolarHBondContact O-N 2.91Å; Q430-P507 VanDerWaalsContact OE1-CA 3.3Å; Q430-V511 HydrophobicContact CB-CG2 3.79Å; Q430-V511 HydrophobicContact CG-CG2 4.32Å; Q430-E514 WeakPolarHBondContact CG-OE1 3.38Å; Q430-E514 VanDerWaalsContact CG-OE2 3.28Å; Q430-E514 WeakPolarHBondContact CG-OE2 3.29Å; Q430-E514 PolarHBondContact NE2-OE1 2.84Å
431I94.6Very high91.9Very high57 Ų5714.7 Ų14.729%0.2929%0.087SC..Hα-helixtrans-59.3-43.9173.7-64.7168.6000110.7V42 L43 L51 S427 L429 V435V42-I431 HydrophobicContact CG1-CD1 4.03Å; V42-I431 HydrophobicContact CG1-CG1 3.59Å; L43-I431 HydrophobicContact CD1-CG1 4.28Å; L43-I431 HydrophobicContact CD2-CD1 4Å; L43-I431 HydrophobicContact CD2-CG1 3.83Å; L43-I431 HydrophobicContact CD2-CG2 4.48Å; L43-I431 HydrophobicContact CG-CG1 3.97Å; L51-I431 HydrophobicContact CD1-CG2 3.98Å; S427-I431 WeakPolarHBondContact O-CG1 3.43Å; S427-I431 PolarHBondContact O-N 2.86Å; S427-I431 VanDerWaalsContact O-N 3.1Å; L429-I431 VanDerWaalsContact C-N 3.35Å; L429-I431 PolarHBondContact O-N 3.47Å; I431-V435 WeakPolarHBondContact O-CB 3.34Å; I431-V435 WeakPolarHBondContact O-CG2 3.22Å; I431-V435 PolarHBondContact O-N 3.36Å
432L94.2Very high92.6Very high24 Ų2414 Ų1413%0.1268%0.081CC..Hα-helixtrans-63.1-43.9177.2174.673000111.7F191 V194 L429 Q430 V435 F436F191-L432 HydrophobicContact CB-CD2 4.23Å; F191-L432 HydrophobicContact CD1-CD1 4.09Å; F191-L432 HydrophobicContact CD1-CD2 3.8Å; F191-L432 HydrophobicContact CD1-CG 4.44Å; F191-L432 HydrophobicContact CD2-CD2 3.62Å; F191-L432 HydrophobicContact CE1-CB 4.19Å; F191-L432 HydrophobicContact CE1-CD1 4.04Å; F191-L432 HydrophobicContact CE1-CD2 3.98Å; F191-L432 HydrophobicContact CE1-CG 4.29Å; F191-L432 HydrophobicContact CE2-CB 4.34Å; F191-L432 HydrophobicContact CE2-CD2 3.83Å; F191-L432 HydrophobicContact CG-CD2 3.61Å; F191-L432 HydrophobicContact CZ-CB 3.93Å; F191-L432 HydrophobicContact CZ-CD2 3.99Å; F191-L432 HydrophobicContact CZ-CG 4.4Å; V194-L432 HydrophobicContact CB-CD2 4.03Å; V194-L432 HydrophobicContact CB-CG 4.38Å; V194-L432 HydrophobicContact CG1-CD1 4.09Å; V194-L432 HydrophobicContact CG1-CD2 4.31Å; V194-L432 HydrophobicContact CG1-CG 4.11Å; V194-L432 HydrophobicContact CG2-CD2 3.93Å; V194-L432 HydrophobicContact CG2-CG 4.42Å; L429-L432 WeakPolarHBondContact O-CB 3.19Å; L429-L432 PolarHBondContact O-N 3.09Å; Q430-L432 VanDerWaalsContact C-N 3.29Å; Q430-L432 PolarHBondContact O-N 3.44Å; L432-V435 WeakPolarHBondContact O-CB 3.22Å; L432-V435 PolarHBondContact O-N 2.99Å; L432-F436 PolarHBondContact O-N 3.38Å
433T94.9Very high93.1Very high0 Ų013.7 Ų13.70%08%0.08CC..Hα-helixtrans-72.5-31.5-178.150.50000112.6F190 L429 Q430 F436 G437 V511 E514 I515F190-T433 HydrophobicContact CE1-CG2 3.87Å; L429-T433 WeakPolarHBondContact O-CG2 3.41Å; L429-T433 PolarHBondContact O-N 3.36Å; L429-T433 PolarHBondContact O-OG1 3.41Å; Q430-T433 VanDerWaalsContact CA-OG1 3.27Å; Q430-T433 WeakPolarHBondContact CA-OG1 3.47Å; Q430-T433 PolarHBondContact O-N 3.34Å; Q430-T433 PolarHBondContact O-OG1 3.38Å; Q430-T433 VanDerWaalsContact O-OG1 3.09Å; T433-F436 PolarHBondContact O-N 3.38Å; T433-G437 PolarHBondContact O-N 2.89Å; T433-V511 HydrophobicContact CG2-CG1 4.28Å; T433-E514 WeakPolarHBondContact CB-OE2 3.39Å; T433-E514 PolarHBondContact OG1-OE2 2.86Å; T433-I515 HydrophobicContact CG2-CD1 3.67Å; T433-I515 HydrophobicContact CG2-CG1 3.42Å; T433-I515 VanDerWaalsContact CG2-CG1 3.42Å
434A94.6Very high93.6Very high0 Ų012.6 Ų12.60%07%0.071CC..Hα-helixtrans-66-41.9170.800000111.6F34 Q430 G437 S438 E514F34-A434 HydrophobicContact CD1-CB 3.84Å; F34-A434 HydrophobicContact CE1-CB 3.82Å; Q430-A434 VanDerWaalsContact O-CB 3.31Å; Q430-A434 WeakPolarHBondContact O-CB 3.42Å; Q430-A434 PolarHBondContact O-N 2.91Å; A434-G437 PolarHBondContact O-N 3.36Å; A434-S438 WeakPolarHBondContact O-CB 3.22Å; A434-S438 PolarHBondContact O-N 2.9Å; A434-E514 PolarHBondContact N-OE2 2.81Å
435V94.8Very high94.2Very high38 Ų389.8 Ų9.823%0.236%0.058CC..Hα-helixtrans-59.7-44.8171.7157.20000111.2L51 C55 I431 L432 S438 F439L51-V435 HydrophobicContact CB-CG2 4.23Å; L51-V435 HydrophobicContact CD1-CG2 4.21Å; L51-V435 HydrophobicContact CD2-CG2 4.2Å; L51-V435 HydrophobicContact CG-CG2 4.45Å; C55-V435 VanDerWaalsContact SG-CG1 3.57Å; I431-V435 WeakPolarHBondContact O-CB 3.34Å; I431-V435 WeakPolarHBondContact O-CG2 3.22Å; I431-V435 PolarHBondContact O-N 3.36Å; L432-V435 WeakPolarHBondContact O-CB 3.22Å; L432-V435 PolarHBondContact O-N 2.99Å; V435-S438 PolarHBondContact O-N 3.07Å; V435-F439 PolarHBondContact O-N 3.49Å
436F95.4Very high94.5Very high6 Ų69.8 Ų9.83%0.0266%0.058CC..Hα-helixtrans-62.1-46.3175.2176-152.4000111.8V194 N198 L432 T433 S438 F439 A440 A518 L519 L522V194-F436 HydrophobicContact CG1-CB 3.97Å; V194-F436 HydrophobicContact CG1-CD1 4.2Å; V194-F436 HydrophobicContact CG1-CG 4.09Å; N198-F436 WeakPolarHBondContact ND2-CD2 3.43Å; N198-F436 VanDerWaalsContact ND2-CE2 3.3Å; N198-F436 WeakPolarHBondContact ND2-CE2 3.33Å; N198-F436 WeakPolarHBondContact OD1-CD2 3.27Å; N198-F436 VanDerWaalsContact OD1-CE2 3.24Å; N198-F436 WeakPolarHBondContact OD1-CE2 3.43Å; L432-F436 PolarHBondContact O-N 3.38Å; T433-F436 PolarHBondContact O-N 3.38Å; F436-S438 VanDerWaalsContact C-N 3.31Å; F436-S438 PolarHBondContact O-N 2.85Å; F436-F439 PolarHBondContact O-N 2.96Å; F436-A440 PolarHBondContact O-N 3.35Å; F436-A518 HydrophobicContact CD1-CB 3.58Å; F436-A518 HydrophobicContact CD2-CB 4.16Å; F436-A518 HydrophobicContact CE1-CB 3.59Å; F436-A518 HydrophobicContact CE2-CB 4.15Å; F436-A518 HydrophobicContact CG-CB 3.87Å; F436-A518 HydrophobicContact CZ-CB 3.88Å; F436-L519 HydrophobicContact CE1-CD2 3.97Å; F436-L519 HydrophobicContact CE1-CG 4.12Å; F436-L519 HydrophobicContact CZ-CD2 3.98Å; F436-L519 HydrophobicContact CZ-CG 4.41Å; F436-L522 HydrophobicContact CE2-CB 4.3Å; F436-L522 HydrophobicContact CE2-CD1 4.44Å; F436-L522 HydrophobicContact CE2-CD2 3.83Å; F436-L522 HydrophobicContact CE2-CG 4.42Å; F436-L522 HydrophobicContact CZ-CB 4.35Å; F436-L522 HydrophobicContact CZ-CD2 3.85Å
437G95.6Very high94.8Very high9 Ų99.8 Ų9.89%0.0936%0.058CC..Hα-helixtrans-56.2-44.7175.300000112.4S33 T433 A434 A440 H441S33-G437 PolarHBondContact OG-O 3.49Å; T433-G437 PolarHBondContact O-N 2.89Å; A434-G437 PolarHBondContact O-N 3.36Å; G437-A440 PolarHBondContact O-N 3.06Å; G437-H441 VanDerWaalsContact O-CB 3.26Å; G437-H441 WeakPolarHBondContact O-CB 3.36Å; G437-H441 PolarHBondContact O-N 2.74Å
438S95.4Very high95Very high0 Ų08.3 Ų8.30%05%0.047CC..Hα-helixtrans-66.3-38.8178.4-174.20000113.4S33 F34 E56 A434 V435 F436 H441 G442S33-S438 VanDerWaalsContact OG-CA 3.28Å; S33-S438 WeakPolarHBondContact OG-CA 3.05Å; S33-S438 PolarHBondContact OG-N 3.47Å; F34-S438 VanDerWaalsContact CE2-CB 3.49Å; E56-S438 VanDerWaalsContact CD-O 3.29Å; E56-S438 VanDerWaalsContact CD-OG 3.28Å; E56-S438 WeakPolarHBondContact CG-OG 3.33Å; E56-S438 WeakPolarHBondContact OE1-CA 3.4Å; E56-S438 WeakPolarHBondContact OE1-CB 3.37Å; E56-S438 VanDerWaalsContact OE1-O 3.13Å; E56-S438 PolarHBondContact OE1-OG 3.49Å; A434-S438 WeakPolarHBondContact O-CB 3.22Å; A434-S438 PolarHBondContact O-N 2.9Å; V435-S438 PolarHBondContact O-N 3.07Å; F436-S438 VanDerWaalsContact C-N 3.31Å; F436-S438 PolarHBondContact O-N 2.85Å; S438-H441 PolarHBondContact O-N 3.41Å; S438-G442 PolarHBondContact O-N 2.98Å
439F95.8Very high95.4Very high18 Ų187.4 Ų7.48%0.0794%0.041CC..Hα-helixtrans-63.5-44.4173.7179.5-101.1000112.2C55 G59 L62 L63 N198 I202 V435 F436 G443C55-F439 HydrophobicContact CB-CB 4.41Å; G59-F439 VanDerWaalsContact CA-CD2 3.5Å; G59-F439 VanDerWaalsContact CA-CE2 3.44Å; G59-F439 VanDerWaalsContact CA-O 3.31Å; G59-F439 WeakPolarHBondContact CA-O 3.47Å; L62-F439 HydrophobicContact CB-CE2 4.32Å; L62-F439 HydrophobicContact CB-CZ 4.13Å; L62-F439 HydrophobicContact CD1-CE2 4.05Å; L62-F439 HydrophobicContact CD1-CZ 4.26Å; L63-F439 HydrophobicContact CD1-CD1 4.02Å; L63-F439 HydrophobicContact CD1-CE1 3.37Å; L63-F439 HydrophobicContact CD1-CZ 3.86Å; L63-F439 HydrophobicContact CG-CE1 4.04Å; L63-F439 HydrophobicContact CG-CZ 4.04Å; N198-F439 WeakPolarHBondContact OD1-CD1 3.48Å; I202-F439 HydrophobicContact CD1-CE1 4.27Å; I202-F439 HydrophobicContact CD1-CE2 4.41Å; I202-F439 HydrophobicContact CD1-CZ 3.7Å; I202-F439 HydrophobicContact CG1-CE1 4.14Å; I202-F439 HydrophobicContact CG1-CZ 3.63Å; V435-F439 PolarHBondContact O-N 3.49Å; F436-F439 PolarHBondContact O-N 2.96Å; F439-G443 PolarHBondContact O-N 3.02Å
440A96.3Very high95.6Very high0 Ų07.4 Ų7.40%04%0.041CC..Hα-helixtrans-65.9-40.6176.900000111.9F436 G437 G443 N444 V521 L522F436-A440 PolarHBondContact O-N 3.35Å; G437-A440 PolarHBondContact O-N 3.06Å; A440-G443 PolarHBondContact O-N 2.7Å; A440-N444 PolarHBondContact O-N 2.82Å; A440-N444 VanDerWaalsContact O-N 3.16Å; A440-V521 HydrophobicContact CB-CB 4.12Å; A440-V521 HydrophobicContact CB-CG1 3.9Å; A440-V521 WeakPolarHBondContact O-CG1 3.46Å; A440-L522 HydrophobicContact CB-CB 4.29Å
441H95.5Very high95.6Very high3 Ų37.4 Ų7.41%0.0144%0.041CC..Hα-helixtrans-58.9-52175.9176.6-82.1000111.4D29 E56 G437 S438 G443 N444 D445 T533D29-H441 WeakPolarHBondContact CB-NE2 3.41Å; E56-H441 VanDerWaalsContact CD-ND1 3.27Å; E56-H441 IonicContact OE1-CG 3.09Å; E56-H441 IonicContact OE1-ND1 2.9Å; E56-H441 PolarHBondContact OE1-ND1 2.87Å; E56-H441 IonicContact OE2-CE1 3.23Å; E56-H441 IonicContact OE2-CG 2.73Å; E56-H441 IonicContact OE2-ND1 3.68Å; E56-H441 PolarHBondContact OE2-ND1 3.16Å; G437-H441 VanDerWaalsContact O-CB 3.26Å; G437-H441 WeakPolarHBondContact O-CB 3.36Å; G437-H441 PolarHBondContact O-N 2.74Å; S438-H441 PolarHBondContact O-N 3.41Å; H441-G443 PolarHBondContact O-N 3.17Å; H441-G443 VanDerWaalsContact O-N 3.16Å; H441-N444 PolarHBondContact O-N 3.01Å; H441-D445 IonicContact CD2-OD2 3.76Å; H441-D445 PolarHBondContact CD2-OD2 3.11Å; H441-D445 VanDerWaalsContact CD2-OD2 3.23Å; H441-D445 IonicContact CE1-OD2 3.67Å; H441-D445 IonicContact NE2-OD2 3.72Å; H441-D445 PolarHBondContact NE2-OD2 3.38Å; H441-D445 VanDerWaalsContact NE2-OD2 3.08Å; H441-D445 PolarHBondContact O-N 3.21Å; H441-T533 PolarHBondContact CD2-OG1 3.34Å
442G95.1Very high95.7Very high0 Ų04.8 Ų4.80%03%0.028CC..Hα-helixtrans-58.1-33.8178.400000112.8E56 S60 S438 V446E56-G442 WeakPolarHBondContact OE2-CA 3.47Å; E56-G442 PolarHBondContact OE2-N 2.73Å; S60-G442 VanDerWaalsContact CA-O 3.28Å; S60-G442 WeakPolarHBondContact CA-O 3.38Å; S60-G442 PolarHBondContact N-O 3.5Å; S438-G442 PolarHBondContact O-N 2.98Å; G442-V446 VanDerWaalsContact O-CB 3.3Å; G442-V446 WeakPolarHBondContact O-CB 3.47Å; G442-V446 WeakPolarHBondContact O-CG1 3.28Å
443G93.5Very high95.8Very high0 Ų03.6 Ų3.60%02%0.022CC..Hα-helixtrans-70.8-29175.200000115.5G59 G64 F439 A440 H441G59-G443 WeakPolarHBondContact O-CA 3.32Å; G64-G443 VanDerWaalsContact CA-O 3.29Å; G64-G443 WeakPolarHBondContact CA-O 3.39Å; F439-G443 PolarHBondContact O-N 3.02Å; A440-G443 PolarHBondContact O-N 2.7Å; H441-G443 PolarHBondContact O-N 3.17Å; H441-G443 VanDerWaalsContact O-N 3.16Å
444N96.6Very high95.8Very high0 Ų03.7 Ų3.70%02%0.022CC..Hα-helixtrans-90.5-53.8177.1-151.1-98.5000110.6A440 H441 S447 V521 S525 L529 I531 T533A440-N444 PolarHBondContact O-N 2.82Å; A440-N444 VanDerWaalsContact O-N 3.16Å; H441-N444 PolarHBondContact O-N 3.01Å; N444-S447 WeakPolarHBondContact O-CB 3.45Å; N444-S447 PolarHBondContact O-N 2.88Å; N444-S447 PolarHBondContact O-OG 2.77Å; N444-S447 VanDerWaalsContact O-OG 3.09Å; N444-V521 HydrophobicContact CB-CG1 3.9Å; N444-S525 WeakPolarHBondContact CB-OG 3.5Å; N444-S525 PolarHBondContact ND2-OG 2.95Å; N444-L529 PolarHBondContact ND2-O 3.14Å; N444-L529 VanDerWaalsContact ND2-O 3.13Å; N444-I531 PolarHBondContact OD1-N 3.49Å; N444-I531 VanDerWaalsContact OD1-N 3.09Å; N444-I531 PolarHBondContact OD1-O 3.47Å; N444-T533 HydrophobicContact CB-CG2 4.42Å
445D96.1Very high95.7Very high1 Ų13.9 Ų3.91%0.0052%0.024CC..Hα-helixtrans-85.9-20.7-158.6-70.24.1000113I25 H441 S447 N448 T533I25-D445 HydrophobicContact CG2-CB 3.95Å; H441-D445 IonicContact CD2-OD2 3.76Å; H441-D445 PolarHBondContact CD2-OD2 3.11Å; H441-D445 VanDerWaalsContact CD2-OD2 3.23Å; H441-D445 IonicContact CE1-OD2 3.67Å; H441-D445 IonicContact NE2-OD2 3.72Å; H441-D445 PolarHBondContact NE2-OD2 3.38Å; H441-D445 VanDerWaalsContact NE2-OD2 3.08Å; H441-D445 PolarHBondContact O-N 3.21Å; D445-S447 PolarHBondContact O-N 2.89Å; D445-S447 VanDerWaalsContact O-N 3.11Å; D445-N448 WeakPolarHBondContact O-CB 3.27Å; D445-N448 PolarHBondContact O-N 3.01Å; D445-N448 PolarHBondContact O-ND2 3.48Å; D445-T533 VanDerWaalsContact OD1-CG2 3.28Å; D445-T533 WeakPolarHBondContact OD1-CG2 3.26Å; D445-T533 WeakPolarHBondContact OD2-CB 3.39Å; D445-T533 WeakPolarHBondContact OD2-CG2 3.43Å; D445-T533 PolarHBondContact OD2-OG1 2.99Å
446V96.5Very high95.8Very high0 Ų02 Ų20%01%0.013CC..Hα-helixtrans-55.9-31.5169.775.70000111.6S60 G442 N448 A449 I450 L476 I483S60-V446 WeakPolarHBondContact OG-CG1 3.21Å; S60-V446 WeakPolarHBondContact OG-CG2 3.31Å; G442-V446 VanDerWaalsContact O-CB 3.3Å; G442-V446 WeakPolarHBondContact O-CB 3.47Å; G442-V446 WeakPolarHBondContact O-CG1 3.28Å; V446-N448 PolarHBondContact O-N 3.41Å; V446-A449 PolarHBondContact O-N 3.18Å; V446-I450 HydrophobicContact CG2-CB 4.44Å; V446-I450 HydrophobicContact CG2-CG1 3.7Å; V446-I450 WeakPolarHBondContact O-CB 3.32Å; V446-I450 WeakPolarHBondContact O-CG1 3.48Å; V446-I450 PolarHBondContact O-N 3.46Å; V446-L476 HydrophobicContact CG1-CD2 4.23Å; V446-I483 HydrophobicContact CB-CD1 4.01Å; V446-I483 HydrophobicContact CG2-CD1 4.18Å
447S96.2Very high95.7Very high0 Ų04.7 Ų4.70%02%0.022CC..Hα-helixtrans-64.5-22.5-177.7-55.90000113G64 V67 S68 N444 D445 A449 G451G64-S447 PolarHBondContact O-OG 3.31Å; G64-S447 VanDerWaalsContact O-OG 3.1Å; V67-S447 VanDerWaalsContact CB-OG 3.3Å; V67-S447 WeakPolarHBondContact CB-OG 3.4Å; S68-S447 PolarHBondContact N-OG 2.86Å; S68-S447 WeakPolarHBondContact OG-CA 3.44Å; S68-S447 WeakPolarHBondContact OG-CB 3.2Å; S68-S447 PolarHBondContact OG-OG 3.17Å; N444-S447 WeakPolarHBondContact O-CB 3.45Å; N444-S447 PolarHBondContact O-N 2.88Å; N444-S447 PolarHBondContact O-OG 2.77Å; N444-S447 VanDerWaalsContact O-OG 3.09Å; D445-S447 PolarHBondContact O-N 2.89Å; D445-S447 VanDerWaalsContact O-N 3.11Å; S447-A449 VanDerWaalsContact C-N 3.33Å; S447-G451 WeakPolarHBondContact O-CA 3.26Å; S447-G451 PolarHBondContact O-N 3.39Å
448N97.3Very high95.6Very high0 Ų04.6 Ų4.60%02%0.02CC..Hα-helixtrans-69-34.3178.8-62.1-30.3000111.7I25 T119 I122 D445 V446I25-N448 HydrophobicContact CD1-CB 3.72Å; T119-N448 WeakPolarHBondContact CA-OD1 3.26Å; T119-N448 PolarHBondContact N-ND2 2.61Å; T119-N448 PolarHBondContact OG1-ND2 3.49Å; T119-N448 PolarHBondContact OG1-OD1 3.28Å; I122-N448 HydrophobicContact CB-CB 4.37Å; I122-N448 WeakPolarHBondContact CG1-O 3.47Å; I122-N448 HydrophobicContact CG2-CB 3.85Å; I122-N448 WeakPolarHBondContact CG2-OD1 3.35Å; D445-N448 WeakPolarHBondContact O-CB 3.27Å; D445-N448 PolarHBondContact O-N 3.01Å; D445-N448 PolarHBondContact O-ND2 3.48Å; V446-N448 PolarHBondContact O-N 3.41Å
449A97.5Very high95.5Very high0 Ų04.9 Ų4.90%02%0.021CC..Hα-helixtrans-89.5-36.7172.600000112.5L21 A22 I25 L99 V446 S447L21-A449 HydrophobicContact CB-CB 4.36Å; L21-A449 HydrophobicContact CD2-CB 4.26Å; L21-A449 HydrophobicContact CG-CB 4.08Å; A22-A449 HydrophobicContact CB-CB 3.87Å; I25-A449 HydrophobicContact CD1-CB 4.13Å; L99-A449 WeakPolarHBondContact CD2-O 3.32Å; V446-A449 PolarHBondContact O-N 3.18Å; S447-A449 VanDerWaalsContact C-N 3.33Å
450I96.2Very high95.3Very high0 Ų04 Ų40%02%0.018CC..Hα-helixtrans-92.6-28-166.7-62.6-50.7000113.2V446 L453 I454 I475 L476 Y478V446-I450 HydrophobicContact CG2-CB 4.44Å; V446-I450 HydrophobicContact CG2-CG1 3.7Å; V446-I450 WeakPolarHBondContact O-CB 3.32Å; V446-I450 WeakPolarHBondContact O-CG1 3.48Å; V446-I450 PolarHBondContact O-N 3.46Å; I450-L453 HydrophobicContact CD1-CD2 3.76Å; I450-L453 PolarHBondContact O-N 3.37Å; I450-I454 HydrophobicContact CG2-CD1 3.41Å; I450-I454 VanDerWaalsContact CG2-CD1 3.41Å; I450-I454 HydrophobicContact CG2-CG1 3.77Å; I450-I454 WeakPolarHBondContact O-CB 3.32Å; I450-I454 WeakPolarHBondContact O-CD1 3.25Å; I450-I454 WeakPolarHBondContact O-CG1 3.43Å; I450-I454 PolarHBondContact O-N 3.13Å; I450-I475 HydrophobicContact CD1-CG2 4.06Å; I450-I475 WeakPolarHBondContact CD1-O 3.34Å; I450-I475 HydrophobicContact CG2-CB 4.43Å; I450-I475 HydrophobicContact CG2-CG2 3.64Å; I450-L476 HydrophobicContact CG2-CD2 3.98Å; I450-Y478 HydrophobicContact CD1-CD1 4.23Å
451G95Very high95.1Very high0 Ų05.2 Ų5.20%03%0.025CC..Hα-helixtrans-54.1-56175.600000113S447 I454 G455S447-G451 WeakPolarHBondContact O-CA 3.26Å; S447-G451 PolarHBondContact O-N 3.39Å; G451-I454 PolarHBondContact O-N 3.3Å; G451-G455 PolarHBondContact O-N 2.76Å; G451-G455 VanDerWaalsContact O-N 3.15Å
452P96.4Very high94.9Very high1 Ų17 Ų71%0.0064%0.036CC..Hα-helixtrans-64.1-38.7176.3-20.531.9000112.9I71 Q95 L99 I122 I454 G455 L456I71-P452 HydrophobicContact CG2-CG 4.13Å; Q95-P452 HydrophobicContact CB-CB 4.36Å; Q95-P452 VanDerWaalsContact OE1-CB 3.23Å; L99-P452 HydrophobicContact CD1-CB 4.24Å; L99-P452 HydrophobicContact CD2-CB 3.79Å; L99-P452 HydrophobicContact CD2-CG 3.92Å; L99-P452 HydrophobicContact CG-CB 3.76Å; L99-P452 HydrophobicContact CG-CG 4.32Å; I122-P452 HydrophobicContact CD1-CG 3.65Å; I122-P452 HydrophobicContact CG1-CG 3.9Å; P452-I454 PolarHBondContact O-N 3.35Å; P452-G455 WeakPolarHBondContact O-CA 3.45Å; P452-G455 PolarHBondContact O-N 3.2Å; P452-G455 VanDerWaalsContact O-N 3.11Å; P452-L456 PolarHBondContact O-N 3.5Å
453L97Very high94.6Very high0 Ų010.1 Ų10.10%05%0.05CC..Hα-helixtrans-63.7-40178.9-17664.3000112.3F15 A18 I450 G455 L456 W457 I475 Y478F15-L453 HydrophobicContact CB-CD1 4.46Å; F15-L453 HydrophobicContact CD1-CD1 3.92Å; F15-L453 HydrophobicContact CD1-CD2 3.81Å; F15-L453 HydrophobicContact CD1-CG 4.33Å; F15-L453 HydrophobicContact CD2-CD1 3.89Å; F15-L453 HydrophobicContact CE1-CD1 3.98Å; F15-L453 HydrophobicContact CE1-CD2 3.68Å; F15-L453 HydrophobicContact CE1-CG 4.05Å; F15-L453 HydrophobicContact CE2-CD1 3.94Å; F15-L453 HydrophobicContact CG-CD1 3.85Å; F15-L453 HydrophobicContact CZ-CD1 3.96Å; F15-L453 HydrophobicContact CZ-CD2 4.31Å; F15-L453 HydrophobicContact CZ-CG 4.18Å; A18-L453 HydrophobicContact CB-CB 4.08Å; A18-L453 HydrophobicContact CB-CD1 4.08Å; A18-L453 HydrophobicContact CB-CD2 3.73Å; A18-L453 HydrophobicContact CB-CG 4.18Å; I450-L453 HydrophobicContact CD1-CD2 3.76Å; I450-L453 PolarHBondContact O-N 3.37Å; L453-G455 VanDerWaalsContact C-N 3.33Å; L453-L456 HydrophobicContact CD1-CD2 4.35Å; L453-L456 PolarHBondContact O-N 3.5Å; L453-W457 WeakPolarHBondContact O-CB 3.25Å; L453-W457 PolarHBondContact O-N 3.12Å; L453-I475 HydrophobicContact CD2-CG2 3.77Å; L453-I475 HydrophobicContact CG-CG2 4.19Å; L453-Y478 HydrophobicContact CD2-CD1 4.02Å; L453-Y478 HydrophobicContact CD2-CE1 4.08Å
454I94.4Very high94.3Very high2 Ų212.4 Ų12.41%0.017%0.067CC..Hα-helixtrans-62.8-43172.3-69.4159.5000110I450 G451 P452 W457 L458 T471 I475I450-I454 HydrophobicContact CG2-CD1 3.41Å; I450-I454 VanDerWaalsContact CG2-CD1 3.41Å; I450-I454 HydrophobicContact CG2-CG1 3.77Å; I450-I454 WeakPolarHBondContact O-CB 3.32Å; I450-I454 WeakPolarHBondContact O-CD1 3.25Å; I450-I454 WeakPolarHBondContact O-CG1 3.43Å; I450-I454 PolarHBondContact O-N 3.13Å; G451-I454 PolarHBondContact O-N 3.3Å; P452-I454 PolarHBondContact O-N 3.35Å; I454-W457 PolarHBondContact O-N 2.82Å; I454-L458 HydrophobicContact CG2-CD1 3.69Å; I454-L458 HydrophobicContact CG2-CG 4.08Å; I454-L458 WeakPolarHBondContact O-CB 3.21Å; I454-L458 VanDerWaalsContact O-CG 3.25Å; I454-L458 WeakPolarHBondContact O-CG 3.3Å; I454-L458 PolarHBondContact O-N 3.36Å; I454-T471 HydrophobicContact CD1-CG2 3.28Å; I454-T471 HydrophobicContact CG1-CG2 3.9Å; I454-I475 HydrophobicContact CG1-CD1 4.31Å; I454-I475 HydrophobicContact CG1-CG2 4.05Å
455G93.8Very high93.8Very high3 Ų313.1 Ų13.13%0.0317%0.071CC..Hα-helixtrans-55.5-51.6174.700000111.6G451 P452 L453 L458 I459G451-G455 PolarHBondContact O-N 2.76Å; G451-G455 VanDerWaalsContact O-N 3.15Å; P452-G455 WeakPolarHBondContact O-CA 3.45Å; P452-G455 PolarHBondContact O-N 3.2Å; P452-G455 VanDerWaalsContact O-N 3.11Å; L453-G455 VanDerWaalsContact C-N 3.33Å; G455-L458 PolarHBondContact O-N 3.4Å; G455-I459 WeakPolarHBondContact O-CD1 3.26Å; G455-I459 WeakPolarHBondContact O-CG1 3.32Å; G455-I459 PolarHBondContact O-N 2.97Å
456L95.4Very high92.6Very high0 Ų018.4 Ų18.40%010%0.099CC..Hα-helixtrans-57.7-50.5176.8177.162.9000112.2M10 M92 Q95 V96 P452 L453 I459 A460M10-L456 HydrophobicContact CB-CD1 4.38Å; M92-L456 HydrophobicContact CB-CD1 3.6Å; M92-L456 HydrophobicContact CE-CD1 3.78Å; M92-L456 HydrophobicContact CG-CD1 3.83Å; Q95-L456 HydrophobicContact CB-CB 4.06Å; Q95-L456 HydrophobicContact CG-CB 4.38Å; V96-L456 HydrophobicContact CG2-CD1 4.29Å; V96-L456 HydrophobicContact CG2-CD2 3.91Å; P452-L456 PolarHBondContact O-N 3.5Å; L453-L456 HydrophobicContact CD1-CD2 4.35Å; L453-L456 PolarHBondContact O-N 3.5Å; L456-I459 PolarHBondContact O-N 3.48Å; L456-A460 VanDerWaalsContact O-CB 3.26Å; L456-A460 WeakPolarHBondContact O-CB 3.32Å; L456-A460 PolarHBondContact O-N 2.87Å
457W94.6Very high91.1Very high61 Ų6119 Ų1923%0.23110%0.103CC..Hα-helixtrans-62.8-44.3-178.8176.7-110.8000112.8I3 V11 F15 L453 I454 T461 D472 W474 I475I3-W457 HydrophobicContact CD1-CZ3 4.27Å; V11-W457 HydrophobicContact CG1-CE3 4.33Å; V11-W457 HydrophobicContact CG1-CZ3 4.46Å; F15-W457 AromaticContact CE2-CE3 3.83Å; F15-W457 HydrophobicContact CE2-CE3 3.83Å; F15-W457 HydrophobicContact CE2-CZ3 4.38Å; F15-W457 HydrophobicContact CZ-CD2 4.44Å; F15-W457 HydrophobicContact CZ-CE3 4.07Å; L453-W457 WeakPolarHBondContact O-CB 3.25Å; L453-W457 PolarHBondContact O-N 3.12Å; I454-W457 PolarHBondContact O-N 2.82Å; W457-T461 HydrophobicContact CD2-CG2 4.03Å; W457-T461 HydrophobicContact CE3-CG2 4.17Å; W457-T461 HydrophobicContact CH2-CG2 4.06Å; W457-T461 HydrophobicContact CZ2-CG2 3.9Å; W457-T461 HydrophobicContact CZ3-CG2 4.19Å; W457-T461 WeakPolarHBondContact O-CB 3.42Å; W457-T461 WeakPolarHBondContact O-CG2 3.2Å; W457-T461 PolarHBondContact O-N 3.36Å; W457-T461 VanDerWaalsContact O-N 3.08Å; W457-T461 PolarHBondContact O-OG1 2.96Å; W457-D472 PolarHBondContact NE1-OD2 2.86Å; W457-W474 HydrophobicContact CD2-CZ2 4.36Å; W457-W474 AromaticContact CE2-CZ2 3.98Å; W457-W474 HydrophobicContact CZ2-CZ2 4.07Å; W457-I475 HydrophobicContact CB-CD1 4.2Å; W457-I475 HydrophobicContact CG-CD1 3.92Å
458L92Very high89.8Confident7 Ų724.4 Ų24.44%0.03714%0.141CC..Hα-helixtrans-64.4-47.3179.1-72.5179.1000110.7R72 I454 G455 A460 T461 T462 K469R72-L458 VanDerWaalsContact NH1-CD1 3.35Å; I454-L458 HydrophobicContact CG2-CD1 3.69Å; I454-L458 HydrophobicContact CG2-CG 4.08Å; I454-L458 WeakPolarHBondContact O-CB 3.21Å; I454-L458 VanDerWaalsContact O-CG 3.25Å; I454-L458 WeakPolarHBondContact O-CG 3.3Å; I454-L458 PolarHBondContact O-N 3.36Å; G455-L458 PolarHBondContact O-N 3.4Å; L458-A460 PolarHBondContact O-N 3.27Å; L458-T461 PolarHBondContact O-N 3.29Å; L458-T461 PolarHBondContact O-OG1 3.19Å; L458-T462 WeakPolarHBondContact O-CB 3.44Å; L458-T462 WeakPolarHBondContact O-CG2 3.38Å; L458-T462 PolarHBondContact O-N 3.14Å; L458-T462 PolarHBondContact O-OG1 3.28Å; L458-K469 HydrophobicContact CD2-CB 3.78Å; L458-K469 HydrophobicContact CD2-CD 4.29Å
459I93.1Very high88.6Confident7 Ų730 Ų304%0.03617%0.165CC..Hα-helixtrans-63.4-44.9179.2-62.6161.4000110.7H88 L91 M92 G455 L456 T461 T462 Q463H88-I459 HydrophobicContact CB-CG2 3.82Å; L91-I459 HydrophobicContact CB-CD1 4.11Å; L91-I459 HydrophobicContact CD2-CD1 3.45Å; L91-I459 VanDerWaalsContact CD2-CD1 3.45Å; L91-I459 HydrophobicContact CG-CD1 3.56Å; M92-I459 HydrophobicContact CG-CB 3.92Å; M92-I459 HydrophobicContact CG-CG2 3.58Å; M92-I459 HydrophobicContact SD-CB 4.39Å; M92-I459 HydrophobicContact SD-CG2 3.8Å; G455-I459 WeakPolarHBondContact O-CD1 3.26Å; G455-I459 WeakPolarHBondContact O-CG1 3.32Å; G455-I459 PolarHBondContact O-N 2.97Å; L456-I459 PolarHBondContact O-N 3.48Å; I459-T461 VanDerWaalsContact C-N 3.26Å; I459-T461 PolarHBondContact O-N 2.82Å; I459-T462 PolarHBondContact O-N 3.19Å; I459-Q463 VanDerWaalsContact O-CA 3.23Å; I459-Q463 WeakPolarHBondContact O-CA 3.49Å; I459-Q463 PolarHBondContact O-N 2.69Å
460A93.4Very high87.4Confident0 Ų034 Ų340%019%0.19CC..Hα-helixtrans-58.4-38.9179.200000112.4I3 V11 M92 L456 L458 Q463I3-A460 HydrophobicContact CD1-CB 4.19Å; I3-A460 HydrophobicContact CG1-CB 4.12Å; I3-A460 WeakPolarHBondContact CG1-O 3.18Å; I3-A460 HydrophobicContact CG2-CB 4.21Å; V11-A460 HydrophobicContact CG2-CB 3.57Å; M92-A460 HydrophobicContact CE-CB 3.67Å; M92-A460 HydrophobicContact SD-CB 4.33Å; L456-A460 VanDerWaalsContact O-CB 3.26Å; L456-A460 WeakPolarHBondContact O-CB 3.32Å; L456-A460 PolarHBondContact O-N 2.87Å; L458-A460 PolarHBondContact O-N 3.27Å; A460-Q463 PolarHBondContact O-NE2 3.13Å
461T91.5Very high86.5Confident25 Ų2534.5 Ų34.515%0.15319%0.193CC..Hα-helixtrans-89.5-23.8-175.356.50000114.4I3 W457 L458 I459I3-T461 HydrophobicContact CD1-CG2 4.41Å; I3-T461 HydrophobicContact CG1-CG2 4.4Å; W457-T461 HydrophobicContact CD2-CG2 4.03Å; W457-T461 HydrophobicContact CE3-CG2 4.17Å; W457-T461 HydrophobicContact CH2-CG2 4.06Å; W457-T461 HydrophobicContact CZ2-CG2 3.9Å; W457-T461 HydrophobicContact CZ3-CG2 4.19Å; W457-T461 WeakPolarHBondContact O-CB 3.42Å; W457-T461 WeakPolarHBondContact O-CG2 3.2Å; W457-T461 PolarHBondContact O-N 3.36Å; W457-T461 VanDerWaalsContact O-N 3.08Å; W457-T461 PolarHBondContact O-OG1 2.96Å; L458-T461 PolarHBondContact O-N 3.29Å; L458-T461 PolarHBondContact O-OG1 3.19Å; I459-T461 VanDerWaalsContact C-N 3.26Å; I459-T461 PolarHBondContact O-N 2.82Å
462T90.4Very high86Confident40 Ų4037.5 Ų37.525%0.24521%0.209CC..Hα-helixtrans-104.5-16.1179.866.60000113.5L458 I459 S464 S467 K469L458-T462 WeakPolarHBondContact O-CB 3.44Å; L458-T462 WeakPolarHBondContact O-CG2 3.38Å; L458-T462 PolarHBondContact O-N 3.14Å; L458-T462 PolarHBondContact O-OG1 3.28Å; I459-T462 PolarHBondContact O-N 3.19Å; T462-S464 PolarHBondContact O-N 3.09Å; T462-S464 PolarHBondContact OG1-N 3.46Å; T462-S464 VanDerWaalsContact OG1-N 3.14Å; T462-S464 PolarHBondContact OG1-O 3.22Å; T462-S464 VanDerWaalsContact OG1-O 3.1Å; T462-S467 PolarHBondContact OG1-OG 2.73Å; T462-K469 HydrophobicContact CG2-CD 3.86Å
463Q89.6Confident85.7Confident65 Ų6540.8 Ų40.830%0.30423%0.226SC..SBendtrans53.428.9-169.2-59.1-66-57.500112I459 A460I459-Q463 VanDerWaalsContact O-CA 3.23Å; I459-Q463 WeakPolarHBondContact O-CA 3.49Å; I459-Q463 PolarHBondContact O-N 2.69Å; A460-Q463 PolarHBondContact O-NE2 3.13Å
464S87.9Confident85.6Confident49 Ų4946 Ų4634%0.34325%0.246SC..  trans-141.1136.2-177.1178.80000112.5T462 D466 S467T462-S464 PolarHBondContact O-N 3.09Å; T462-S464 PolarHBondContact OG1-N 3.46Å; T462-S464 VanDerWaalsContact OG1-N 3.14Å; T462-S464 PolarHBondContact OG1-O 3.22Å; T462-S464 VanDerWaalsContact OG1-O 3.1Å; S464-D466 PolarHBondContact OG-N 3.1Å; S464-S467 PolarHBondContact O-OG 3.23Å
465V85.2Confident85.6Confident15 Ų1545.9 Ų45.99%0.09125%0.245CC..SBendtrans-74.3-31.2179.8-176.10000112.4V78 F81 Q82 H88 L91 S467V78-V465 HydrophobicContact CB-CG1 3.57Å; V78-V465 HydrophobicContact CG2-CG1 3.91Å; V78-V465 WeakPolarHBondContact O-CG1 3.44Å; F81-V465 HydrophobicContact CB-CG2 4.33Å; Q82-V465 HydrophobicContact CG-CB 4.07Å; Q82-V465 HydrophobicContact CG-CG2 4.33Å; H88-V465 HydrophobicContact CB-CG2 3.91Å; L91-V465 HydrophobicContact CD2-CB 4.43Å; L91-V465 HydrophobicContact CD2-CG1 3.5Å; L91-V465 VanDerWaalsContact CD2-CG1 3.5Å; L91-V465 HydrophobicContact CD2-CG2 4.19Å; V465-S467 PolarHBondContact O-N 3.02Å
466D70.7Confident85.7Confident111 Ų11145.7 Ų45.759%0.59424%0.244SC*.  trans-87.542-175.3-169.116.7000112.9S464 S468S464-D466 PolarHBondContact OG-N 3.1Å; D466-S468 PolarHBondContact O-N 2.74Å
467S65.1Low85.7Confident13 Ų1348.4 Ų48.49%0.09126%0.26CS..  trans-76.596.6-177.1-68.20000110.7R72 T462 S464 V465 K469R72-S467 PolarHBondContact NH1-O 2.94Å; T462-S467 PolarHBondContact OG1-OG 2.73Å; S464-S467 PolarHBondContact O-OG 3.23Å; V465-S467 PolarHBondContact O-N 3.02Å; S467-K469 PolarHBondContact O-N 2.91Å
468S68.9Low85.9Confident113 Ų11348.4 Ų48.479%0.7926%0.26SS*.  trans-69.5-2.1168.564.90000113.7D466 T470D466-S468 PolarHBondContact O-N 2.74Å; S468-T470 PolarHBondContact O-N 3.46Å
469K72.5Confident86.1Confident118 Ų11848 Ų4851%0.51326%0.258SS..PPolyproline II helixtrans-53.7138.6175.8-70.6-169.6178.1-177.50110.8L458 T462 S467L458-K469 HydrophobicContact CD2-CB 3.78Å; L458-K469 HydrophobicContact CD2-CD 4.29Å; T462-K469 HydrophobicContact CG2-CD 3.86Å; S467-K469 PolarHBondContact O-N 2.91Å
470T72.1Confident86.3Confident85 Ų8547.7 Ų47.752%0.52126%0.257SS..PPolyproline II helixtrans-67.215017551.40000110.6S468 D472S468-T470 PolarHBondContact O-N 3.46Å; T470-D472 PolarHBondContact O-N 3.38Å
471T76.8Confident86.5Confident9 Ų950.5 Ų50.56%0.05527%0.274CS..PPolyproline II helixtrans-60.1130.1171.4-590000111.4I454 L476I454-T471 HydrophobicContact CD1-CG2 3.28Å; I454-T471 HydrophobicContact CG1-CG2 3.9Å; T471-L476 HydrophobicContact CG2-CD1 4.08Å; T471-L476 HydrophobicContact CG2-CG 4.07Å
472D84.7Confident86.7Confident64 Ų6449.3 Ų49.334%0.34227%0.266SS..PPolyproline II helixtrans-73.4130.5171.7-68.4-29.8000110.7W457 T470 W474 I475W457-D472 PolarHBondContact NE1-OD2 2.86Å; T470-D472 PolarHBondContact O-N 3.38Å; D472-W474 VanDerWaalsContact CB-CD1 3.48Å; D472-W474 HydrophobicContact CB-CG 4.45Å; D472-W474 PolarHBondContact O-N 3.25Å; D472-I475 HydrophobicContact CB-CD1 4.28Å; D472-I475 HydrophobicContact CB-CG1 4.28Å; D472-I475 PolarHBondContact O-N 3.44Å; D472-I475 VanDerWaalsContact O-N 3.14Å
473I90.5Very high87Confident70 Ų7047.4 Ų47.436%0.35926%0.255SS..Hα-helixtrans-58.3-33.4-174.9-166.6167.1000113.3V61 M209 L210 I475 L476 V477V61-I473 HydrophobicContact CG1-CD1 3.75Å; V61-I473 HydrophobicContact CG1-CG1 3.89Å; M209-I473 HydrophobicContact CE-CB 4.34Å; M209-I473 HydrophobicContact CE-CD1 3.99Å; M209-I473 HydrophobicContact CE-CG1 3.8Å; M209-I473 HydrophobicContact SD-CB 3.91Å; M209-I473 HydrophobicContact SD-CD1 4.41Å; M209-I473 HydrophobicContact SD-CG1 4.04Å; L210-I473 HydrophobicContact CD2-CD1 3.98Å; I473-I475 PolarHBondContact O-N 2.81Å; I473-L476 WeakPolarHBondContact O-CB 3.21Å; I473-L476 PolarHBondContact O-N 3.39Å; I473-L476 VanDerWaalsContact O-N 3.14Å; I473-V477 PolarHBondContact O-N 3.03Å
474W94.1Very high87.2Confident108 Ų10844.7 Ų44.741%0.40924%0.243SC..Hα-helixtrans-65.6-27.5-176.972.3-97.4000112F15 W457 D472 V477 Y478F15-W474 HydrophobicContact CD1-CH2 4.48Å; F15-W474 HydrophobicContact CD1-CZ3 4.48Å; F15-W474 AromaticContact CE1-CH2 3.33Å; F15-W474 HydrophobicContact CE1-CH2 3.33Å; F15-W474 HydrophobicContact CE1-CZ2 4.47Å; F15-W474 AromaticContact CE1-CZ3 3.53Å; F15-W474 HydrophobicContact CE1-CZ3 3.53Å; F15-W474 HydrophobicContact CE2-CH2 4.46Å; F15-W474 AromaticContact CZ-CH2 3.33Å; F15-W474 HydrophobicContact CZ-CH2 3.33Å; F15-W474 HydrophobicContact CZ-CZ2 4.18Å; F15-W474 HydrophobicContact CZ-CZ3 4.05Å; W457-W474 HydrophobicContact CD2-CZ2 4.36Å; W457-W474 AromaticContact CE2-CZ2 3.98Å; W457-W474 HydrophobicContact CZ2-CZ2 4.07Å; D472-W474 VanDerWaalsContact CB-CD1 3.48Å; D472-W474 HydrophobicContact CB-CG 4.45Å; D472-W474 PolarHBondContact O-N 3.25Å; W474-V477 PolarHBondContact O-N 3.47Å; W474-Y478 WeakPolarHBondContact O-CB 3.5Å; W474-Y478 PolarHBondContact O-N 3.24Å
475I95.3Very high87.6Confident0 Ų044.8 Ų44.80%024%0.241CC..Hα-helixtrans-71.7-35.7177.4-52.6-179.5000110.2I450 L453 I454 W457 D472 I473 Y478 G479I450-I475 HydrophobicContact CD1-CG2 4.06Å; I450-I475 WeakPolarHBondContact CD1-O 3.34Å; I450-I475 HydrophobicContact CG2-CB 4.43Å; I450-I475 HydrophobicContact CG2-CG2 3.64Å; L453-I475 HydrophobicContact CD2-CG2 3.77Å; L453-I475 HydrophobicContact CG-CG2 4.19Å; I454-I475 HydrophobicContact CG1-CD1 4.31Å; I454-I475 HydrophobicContact CG1-CG2 4.05Å; W457-I475 HydrophobicContact CB-CD1 4.2Å; W457-I475 HydrophobicContact CG-CD1 3.92Å; D472-I475 HydrophobicContact CB-CD1 4.28Å; D472-I475 HydrophobicContact CB-CG1 4.28Å; D472-I475 PolarHBondContact O-N 3.44Å; D472-I475 VanDerWaalsContact O-N 3.14Å; I473-I475 PolarHBondContact O-N 2.81Å; I475-Y478 WeakPolarHBondContact O-CB 3.28Å; I475-Y478 PolarHBondContact O-N 2.96Å; I475-G479 PolarHBondContact O-N 3.11Å
476L95.1Very high88Confident0 Ų044.1 Ų44.10%024%0.237CC..Hα-helixtrans-68.1-41.6172.7-66.8167.3000111.2S60 A65 M209 V446 I450 T471 I473 Y478 G479 G480S60-L476 PolarHBondContact OG-O 3.49Å; A65-L476 HydrophobicContact CB-CD1 4.37Å; M209-L476 HydrophobicContact CE-CD1 3.74Å; M209-L476 HydrophobicContact SD-CD1 4.07Å; V446-L476 HydrophobicContact CG1-CD2 4.23Å; I450-L476 HydrophobicContact CG2-CD2 3.98Å; T471-L476 HydrophobicContact CG2-CD1 4.08Å; T471-L476 HydrophobicContact CG2-CG 4.07Å; I473-L476 WeakPolarHBondContact O-CB 3.21Å; I473-L476 PolarHBondContact O-N 3.39Å; I473-L476 VanDerWaalsContact O-N 3.14Å; L476-Y478 VanDerWaalsContact C-N 3.31Å; L476-Y478 PolarHBondContact O-N 3.45Å; L476-G479 PolarHBondContact O-N 3.22Å; L476-G480 PolarHBondContact O-N 2.91Å
477V96.7Very high88.9Confident57 Ų5738.9 Ų38.935%0.34521%0.209SC..Hα-helixtrans-58.8-45.4172.2173.60000110.3L57 V61 I473 W474 G479 G480 V481L57-V477 HydrophobicContact CD1-CG1 4.25Å; V61-V477 HydrophobicContact CG2-CG2 3.6Å; I473-V477 PolarHBondContact O-N 3.03Å; W474-V477 PolarHBondContact O-N 3.47Å; V477-G479 PolarHBondContact O-N 2.84Å; V477-G480 PolarHBondContact O-N 2.88Å; V477-V481 HydrophobicContact CG1-CG2 4.31Å; V477-V481 VanDerWaalsContact O-CG2 3.32Å; V477-V481 WeakPolarHBondContact O-CG2 3.37Å; V477-V481 PolarHBondContact O-N 3.34Å
478Y97.7Very high90.2Very high60 Ų6043.3 Ų43.324%0.23522%0.224CC..Hα-helixtrans-55.9-47.9177.4-178.9-99.3000112.2F15 F19 I450 L453 W474 I475 L476 V481 G482F15-Y478 HydrophobicContact CD1-CD1 4.41Å; F15-Y478 AromaticContact CD1-CE1 3.91Å; F15-Y478 HydrophobicContact CD1-CE1 3.91Å; F15-Y478 HydrophobicContact CD1-CE2 4.5Å; F15-Y478 AromaticContact CD1-CZ 3.93Å; F15-Y478 PolarHBondContact O-OH 3.09Å; F19-Y478 HydrophobicContact CB-CE1 3.86Å; F19-Y478 WeakPolarHBondContact CB-OH 3.41Å; F19-Y478 HydrophobicContact CD2-CD1 4.46Å; F19-Y478 HydrophobicContact CD2-CD2 4.3Å; F19-Y478 AromaticContact CD2-CE1 3.98Å; F19-Y478 HydrophobicContact CD2-CE1 3.98Å; F19-Y478 AromaticContact CD2-CE2 3.8Å; F19-Y478 HydrophobicContact CD2-CE2 3.8Å; F19-Y478 AromaticContact CD2-CZ 3.65Å; F19-Y478 HydrophobicContact CE2-CE2 4.49Å; F19-Y478 HydrophobicContact CG-CE1 4.43Å; I450-Y478 HydrophobicContact CD1-CD1 4.23Å; L453-Y478 HydrophobicContact CD2-CD1 4.02Å; L453-Y478 HydrophobicContact CD2-CE1 4.08Å; W474-Y478 WeakPolarHBondContact O-CB 3.5Å; W474-Y478 PolarHBondContact O-N 3.24Å; I475-Y478 WeakPolarHBondContact O-CB 3.28Å; I475-Y478 PolarHBondContact O-N 2.96Å; L476-Y478 VanDerWaalsContact C-N 3.31Å; L476-Y478 PolarHBondContact O-N 3.45Å; Y478-V481 PolarHBondContact O-N 3.04Å; Y478-G482 PolarHBondContact O-N 3.44Å
479G97.2Very high91.3Very high0 Ų043.1 Ų43.10%021%0.213CC..Hα-helixtrans-63.7-43.5175.200000113.4I475 L476 V477 V481 G482 I483I475-G479 PolarHBondContact O-N 3.11Å; L476-G479 PolarHBondContact O-N 3.22Å; V477-G479 PolarHBondContact O-N 2.84Å; G479-V481 VanDerWaalsContact C-N 3.31Å; G479-V481 PolarHBondContact O-N 3.45Å; G479-G482 PolarHBondContact O-N 2.6Å; G479-I483 WeakPolarHBondContact O-CG1 3.36Å; G479-I483 PolarHBondContact O-N 2.86Å
480G96.4Very high92.1Very high0 Ų040.3 Ų40.30%020%0.199CC..Hα-helixtrans-63.4-36.4178.100000113L476 V477 S484L476-G480 PolarHBondContact O-N 2.91Å; V477-G480 PolarHBondContact O-N 2.88Å; G480-S484 WeakPolarHBondContact O-CB 3.4Å; G480-S484 PolarHBondContact O-N 3.45Å; G480-S484 PolarHBondContact O-OG 3.32Å
481V97.2Very high92.6Very high59 Ų5936.3 Ų36.336%0.35818%0.175SC..Hα-helixtrans-65.9-45.5172.1171.80000110.6F19 L57 V477 Y478 G479 I483 S484 V485F19-V481 HydrophobicContact CE2-CG1 4.21Å; F19-V481 HydrophobicContact CZ-CG1 4.49Å; L57-V481 HydrophobicContact CD1-CG2 4.38Å; V477-V481 HydrophobicContact CG1-CG2 4.31Å; V477-V481 VanDerWaalsContact O-CG2 3.32Å; V477-V481 WeakPolarHBondContact O-CG2 3.37Å; V477-V481 PolarHBondContact O-N 3.34Å; Y478-V481 PolarHBondContact O-N 3.04Å; G479-V481 VanDerWaalsContact C-N 3.31Å; G479-V481 PolarHBondContact O-N 3.45Å; V481-I483 PolarHBondContact O-N 2.77Å; V481-S484 WeakPolarHBondContact O-CB 3.28Å; V481-S484 PolarHBondContact O-N 3.2Å; V481-S484 VanDerWaalsContact O-N 3.14Å; V481-V485 HydrophobicContact CG1-CG2 4.32Å; V481-V485 WeakPolarHBondContact O-CG2 3.39Å; V481-V485 PolarHBondContact O-N 2.96Å
482G97.1Very high92.7Very high0 Ų041.9 Ų41.90%020%0.195CC..Hα-helixtrans-55.3-49.7175.500000112.6F23 Y478 G479 S484 V485 G486F23-G482 VanDerWaalsContact CA-O 3.26Å; F23-G482 WeakPolarHBondContact CA-O 3.41Å; F23-G482 PolarHBondContact N-O 2.81Å; Y478-G482 PolarHBondContact O-N 3.44Å; G479-G482 PolarHBondContact O-N 2.6Å; G482-S484 VanDerWaalsContact C-N 3.31Å; G482-S484 PolarHBondContact O-N 3.41Å; G482-V485 PolarHBondContact O-N 3.32Å; G482-G486 PolarHBondContact O-N 3.18Å
483I95.6Very high92.1Very high0 Ų044.4 Ų44.40%020%0.2CC..Hα-helixtrans-54.8-47.8174.1-69.9171.4000110.9A22 I25 G26 E56 V446 G479 V481 V485 G486 L487A22-I483 HydrophobicContact CB-CG1 4.26Å; A22-I483 VanDerWaalsContact O-CA 3.23Å; A22-I483 WeakPolarHBondContact O-CA 3.2Å; A22-I483 WeakPolarHBondContact O-CG1 3.4Å; A22-I483 PolarHBondContact O-N 2.97Å; I25-I483 HydrophobicContact CB-CG1 4.34Å; I25-I483 HydrophobicContact CG2-CD1 4.18Å; I25-I483 HydrophobicContact CG2-CG1 4.13Å; G26-I483 VanDerWaalsContact CA-O 3.3Å; G26-I483 WeakPolarHBondContact CA-O 3.49Å; E56-I483 HydrophobicContact CB-CG2 4.22Å; E56-I483 HydrophobicContact CG-CG2 4.1Å; V446-I483 HydrophobicContact CB-CD1 4.01Å; V446-I483 HydrophobicContact CG2-CD1 4.18Å; G479-I483 WeakPolarHBondContact O-CG1 3.36Å; G479-I483 PolarHBondContact O-N 2.86Å; V481-I483 PolarHBondContact O-N 2.77Å; I483-V485 PolarHBondContact O-N 2.97Å; I483-G486 PolarHBondContact O-N 2.82Å; I483-L487 PolarHBondContact O-N 3.25Å
484S94.8Very high91.2Very high8 Ų841 Ų416%0.05618%0.182CC..Hα-helixtrans-61.5-45.5-179.9-58.70000111.6G480 V481 G482 G486 L487 W488G480-S484 WeakPolarHBondContact O-CB 3.4Å; G480-S484 PolarHBondContact O-N 3.45Å; G480-S484 PolarHBondContact O-OG 3.32Å; V481-S484 WeakPolarHBondContact O-CB 3.28Å; V481-S484 PolarHBondContact O-N 3.2Å; V481-S484 VanDerWaalsContact O-N 3.14Å; G482-S484 VanDerWaalsContact C-N 3.31Å; G482-S484 PolarHBondContact O-N 3.41Å; S484-G486 VanDerWaalsContact C-N 3.34Å; S484-G486 PolarHBondContact O-N 3.11Å; S484-L487 WeakPolarHBondContact O-CB 3.42Å; S484-L487 PolarHBondContact O-N 3.14Å; S484-W488 PolarHBondContact O-N 3.31Å; S484-W488 VanDerWaalsContact O-N 3.17Å
485V95.3Very high90.3Very high51 Ų5136.1 Ų36.131%0.30916%0.164SC..Hα-helixtrans-62.7-41.9178.4176.60000111.4F19 F23 V481 G482 I483 L487 W488 I489F19-V485 HydrophobicContact CZ-CG2 4.3Å; F23-V485 HydrophobicContact CD2-CB 4.4Å; F23-V485 HydrophobicContact CD2-CG1 3.92Å; F23-V485 HydrophobicContact CE2-CG1 4.2Å; V481-V485 HydrophobicContact CG1-CG2 4.32Å; V481-V485 WeakPolarHBondContact O-CG2 3.39Å; V481-V485 PolarHBondContact O-N 2.96Å; G482-V485 PolarHBondContact O-N 3.32Å; I483-V485 PolarHBondContact O-N 2.97Å; V485-L487 VanDerWaalsContact C-N 3.33Å; V485-L487 PolarHBondContact O-N 3.41Å; V485-W488 PolarHBondContact O-N 3.42Å; V485-I489 HydrophobicContact CG1-CD1 3.76Å; V485-I489 HydrophobicContact CG1-CG1 4.46Å; V485-I489 WeakPolarHBondContact O-CG1 3.39Å; V485-I489 PolarHBondContact O-N 3.29Å; V485-I489 VanDerWaalsContact O-N 3.15Å
486G93.8Very high89Confident0 Ų041.1 Ų41.10%019%0.187CC..Hα-helixtrans-52.9-48.2173.700000113.8F23 G482 I483 S484 W490 G491F23-G486 WeakPolarHBondContact O-CA 3.49Å; G482-G486 PolarHBondContact O-N 3.18Å; I483-G486 PolarHBondContact O-N 2.82Å; S484-G486 VanDerWaalsContact C-N 3.34Å; S484-G486 PolarHBondContact O-N 3.11Å; G486-W490 PolarHBondContact O-N 3.32Å; G486-G491 PolarHBondContact O-N 3.36Å
487L90.6Very high87.6Confident2 Ų242.1 Ų42.11%0.0119%0.194CC..Hα-helixtrans-58.4-51.1176.3171.855000112.7V30 C49 A52 I483 S484 V485 I489 G491 I495V30-L487 HydrophobicContact CB-CD1 3.66Å; V30-L487 HydrophobicContact CB-CD2 4.41Å; V30-L487 HydrophobicContact CB-CG 4.42Å; V30-L487 HydrophobicContact CG1-CD1 3.29Å; V30-L487 HydrophobicContact CG1-CD2 3.72Å; V30-L487 HydrophobicContact CG1-CG 4.04Å; V30-L487 HydrophobicContact CG2-CB 4.09Å; V30-L487 HydrophobicContact CG2-CD1 4.05Å; V30-L487 HydrophobicContact CG2-CD2 4.1Å; V30-L487 HydrophobicContact CG2-CG 4.29Å; C49-L487 HydrophobicContact CB-CD2 4.28Å; C49-L487 HydrophobicContact CB-CG 4.34Å; A52-L487 HydrophobicContact CB-CD2 3.19Å; I483-L487 PolarHBondContact O-N 3.25Å; S484-L487 WeakPolarHBondContact O-CB 3.42Å; S484-L487 PolarHBondContact O-N 3.14Å; V485-L487 VanDerWaalsContact C-N 3.33Å; V485-L487 PolarHBondContact O-N 3.41Å; L487-I489 VanDerWaalsContact C-N 3.3Å; L487-I489 PolarHBondContact O-N 3.16Å; L487-G491 WeakPolarHBondContact O-CA 3.24Å; L487-G491 PolarHBondContact O-N 3.13Å; L487-I495 HydrophobicContact CD1-CD1 4.21Å
488W92Very high86.2Confident105 Ų10539.7 Ų39.740%0.39818%0.179SC..Hα-helixtrans-61.9-38.7-175.7-8497000112.7C49 I50 T53 S484 V485 R492C49-W488 HydrophobicContact CB-CD2 3.94Å; C49-W488 HydrophobicContact CB-CE3 4.26Å; C49-W488 HydrophobicContact CB-CH2 4.16Å; C49-W488 HydrophobicContact CB-CZ2 3.82Å; C49-W488 HydrophobicContact CB-CZ3 4.37Å; I50-W488 HydrophobicContact CG1-CH2 3.9Å; I50-W488 HydrophobicContact CG1-CZ2 3.82Å; T53-W488 PolarHBondContact OG1-NE1 3.27Å; S484-W488 PolarHBondContact O-N 3.31Å; S484-W488 VanDerWaalsContact O-N 3.17Å; V485-W488 PolarHBondContact O-N 3.42Å; W488-R492 PolarHBondContact O-NH1 2.97Å
489I92.4Very high84.6Confident110 Ų11037 Ų3756%0.56417%0.169SC*.Hα-helixtrans-86.9-46.9-173.2-64.4-178000111.6F23 V485 L487F23-I489 HydrophobicContact CE2-CB 3.83Å; F23-I489 HydrophobicContact CE2-CD1 4.02Å; F23-I489 HydrophobicContact CE2-CG1 4.36Å; F23-I489 HydrophobicContact CE2-CG2 4.11Å; F23-I489 HydrophobicContact CZ-CB 4.04Å; F23-I489 HydrophobicContact CZ-CG2 3.96Å; V485-I489 HydrophobicContact CG1-CD1 3.76Å; V485-I489 HydrophobicContact CG1-CG1 4.46Å; V485-I489 WeakPolarHBondContact O-CG1 3.39Å; V485-I489 PolarHBondContact O-N 3.29Å; V485-I489 VanDerWaalsContact O-N 3.15Å; L487-I489 VanDerWaalsContact C-N 3.3Å; L487-I489 PolarHBondContact O-N 3.16Å
490W89.5Confident83.4Confident58 Ų5842 Ų4222%0.2219%0.192CC..Hα-helixtrans-126.1-11.9-168.8-157.7-16.3000114.1F23 A27 L107 T110 F111 G486 R492 R493F23-W490 HydrophobicContact CE1-CB 4.37Å; F23-W490 AromaticContact CE1-CE3 3.7Å; F23-W490 HydrophobicContact CE1-CE3 3.7Å; F23-W490 HydrophobicContact CE1-CZ3 4.39Å; F23-W490 HydrophobicContact CZ-CB 4.12Å; F23-W490 HydrophobicContact CZ-CE3 4.13Å; A27-W490 HydrophobicContact CB-CB 3.79Å; A27-W490 HydrophobicContact CB-CG 4.25Å; L107-W490 HydrophobicContact CD2-CZ3 4.11Å; T110-W490 HydrophobicContact CG2-CD2 4.22Å; T110-W490 HydrophobicContact CG2-CG 4.34Å; T110-W490 HydrophobicContact CG2-CZ2 4.32Å; F111-W490 HydrophobicContact CB-CH2 4.47Å; F111-W490 HydrophobicContact CB-CZ2 4.03Å; F111-W490 HydrophobicContact CD2-CZ2 4.2Å; G486-W490 PolarHBondContact O-N 3.32Å; W490-R492 PolarHBondContact O-N 3.46Å; W490-R493 PolarHBondContact O-N 3.37Å
491G82.6Confident82.4Confident1 Ų145.9 Ų45.91%0.0121%0.213CC..THydrogen-bonded Turntrans-57-25-17900000115.9G486 L487 R493 V494 I495G486-G491 PolarHBondContact O-N 3.36Å; L487-G491 WeakPolarHBondContact O-CA 3.24Å; L487-G491 PolarHBondContact O-N 3.13Å; G491-R493 PolarHBondContact O-N 2.87Å; G491-R493 VanDerWaalsContact O-N 3.15Å; G491-V494 PolarHBondContact O-N 3.5Å; G491-I495 WeakPolarHBondContact O-CD1 3.37Å; G491-I495 WeakPolarHBondContact O-CG1 3.44Å; G491-I495 PolarHBondContact O-N 2.96Å
492R78.1Confident81.4Confident126 Ų12643.1 Ų43.148%0.47520%0.196SC..Hα-helixtrans-56.6-35.1-178.5-41.8-163.5-135.6-53.4-8.1113.7L45 W488 W490L45-R492 HydrophobicContact CD2-CB 3.8Å; L45-R492 HydrophobicContact CD2-CG 3.3Å; L45-R492 HydrophobicContact CG-CG 4.42Å; W488-R492 PolarHBondContact O-NH1 2.97Å; W490-R492 PolarHBondContact O-N 3.46Å
493R72.4Confident80.7Confident117 Ų11743.4 Ų43.444%0.44220%0.198SC..Hα-helixtrans-71.6-31.8-171.3-72.2-173.2-175.4168.61113W490 G491W490-R493 PolarHBondContact O-N 3.37Å; G491-R493 PolarHBondContact O-N 2.87Å; G491-R493 VanDerWaalsContact O-N 3.15Å
494V71.4Confident80.1Confident0 Ų048.6 Ų48.60%022%0.22CC..Hα-helixtrans-92.5-28.5-176.9-173.80000111.9N28 A31 T110 G491 Q496 T497N28-V494 VanDerWaalsContact O-CG1 3.31Å; N28-V494 WeakPolarHBondContact O-CG1 3.45Å; A31-V494 HydrophobicContact CB-CB 4.42Å; A31-V494 HydrophobicContact CB-CG1 4Å; T110-V494 HydrophobicContact CG2-CG2 4.22Å; G491-V494 PolarHBondContact O-N 3.5Å; V494-Q496 PolarHBondContact O-N 3.47Å; V494-T497 PolarHBondContact O-N 3.29Å; V494-T497 VanDerWaalsContact O-N 3.09Å
495I74.2Confident79.6Confident4 Ų449.2 Ų49.22%0.02122%0.223CC..Hα-helixtrans-54.9-36.7178.2-76.2168.7000112.5A31 V38 L45 L487 G491 G499A31-I495 HydrophobicContact CB-CB 4.49Å; A31-I495 HydrophobicContact CB-CG1 3.99Å; V38-I495 HydrophobicContact CB-CG2 3.94Å; V38-I495 HydrophobicContact CG1-CG2 3.87Å; V38-I495 HydrophobicContact CG2-CG2 4.28Å; L45-I495 HydrophobicContact CD1-CD1 3.43Å; L45-I495 VanDerWaalsContact CD1-CD1 3.43Å; L45-I495 HydrophobicContact CD1-CG2 4.48Å; L487-I495 HydrophobicContact CD1-CD1 4.21Å; G491-I495 WeakPolarHBondContact O-CD1 3.37Å; G491-I495 WeakPolarHBondContact O-CG1 3.44Å; G491-I495 PolarHBondContact O-N 2.96Å; I495-G499 PolarHBondContact O-N 3.25Å; I495-G499 VanDerWaalsContact O-N 3.11Å
496Q68.6Low79.4Confident105 Ų10547.1 Ų47.149%0.49121%0.211SC..Hα-helixtrans-64.1-42.1178.8-68.8175.4-22.200112.1V494 L498 G499 E500V494-Q496 PolarHBondContact O-N 3.47Å; Q496-L498 PolarHBondContact O-N 3.43Å; Q496-G499 PolarHBondContact O-N 3.49Å; Q496-E500 PolarHBondContact O-N 2.93Å
497T66.1Low79.2Confident22 Ų2247.8 Ų47.814%0.13522%0.215CC..Iπ-helixtrans-66.9-39.7-175-550000113.4V494 D501V494-T497 PolarHBondContact O-N 3.29Å; V494-T497 VanDerWaalsContact O-N 3.09Å; T497-D501 WeakPolarHBondContact CA-OD2 3.35Å
498L66.5Low79.3Confident6 Ų647.7 Ų47.73%0.03122%0.215CC..Iπ-helixtrans-83.2-24.9176.7-65.2-179.3000113.3A31 N32 P115 Q496 V538A31-L498 HydrophobicContact CB-CB 4.18Å; A31-L498 HydrophobicContact CB-CD1 3.49Å; A31-L498 VanDerWaalsContact CB-CD1 3.49Å; A31-L498 HydrophobicContact CB-CG 4.09Å; N32-L498 WeakPolarHBondContact OD1-CD1 3.24Å; P115-L498 HydrophobicContact CB-CD2 4.17Å; P115-L498 HydrophobicContact CG-CD2 4.32Å; Q496-L498 PolarHBondContact O-N 3.43Å; L498-V538 HydrophobicContact CD2-CG2 4.19Å
499G65.2Low79.3Confident2 Ų242.9 Ų42.92%0.02120%0.197CC..Iπ-helixtrans-84.7-33.7-176.600000114.8G35 I495 Q496G35-G499 WeakPolarHBondContact O-CA 3.47Å; I495-G499 PolarHBondContact O-N 3.25Å; I495-G499 VanDerWaalsContact O-N 3.11Å; Q496-G499 PolarHBondContact O-N 3.49Å
500E72.5Confident79.4Confident106 Ų10637.6 Ų37.650%0.49517%0.17SC..Iπ-helixtrans-125.4-37.3-169.2-61.3-175.6171.100113.3Q496Q496-E500 PolarHBondContact O-N 2.93Å
501D74.8Confident79.6Confident81 Ų8134.9 Ų34.943%0.43316%0.159SC..Iπ-helixtrans-81.9-35.3-167.9-61.7-28.8000113.9T497 I557T497-D501 WeakPolarHBondContact CA-OD2 3.35Å; D501-I557 HydrophobicContact CB-CD1 3.78Å; D501-I557 VanDerWaalsContact O-CD1 3.28Å; D501-I557 WeakPolarHBondContact O-CD1 3.31Å
502L76.9Confident80.2Confident1 Ų134.9 Ų34.91%0.00516%0.159CC..SBendtrans-76.2-39.1-174.3-177.458.4000113.4V538 V541 N554 I557 F558 I561L502-V538 HydrophobicContact CD2-CG1 4.26Å; L502-V538 HydrophobicContact CD2-CG2 4.44Å; L502-V541 HydrophobicContact CB-CG1 4.45Å; L502-V541 HydrophobicContact CD2-CB 4.09Å; L502-V541 HydrophobicContact CD2-CG1 3.63Å; L502-V541 HydrophobicContact CG-CG1 3.92Å; L502-N554 PolarHBondContact O-N 2.93Å; L502-I557 HydrophobicContact CD1-CB 4.38Å; L502-I557 HydrophobicContact CD1-CG2 4.09Å; L502-F558 HydrophobicContact CD1-CB 4.26Å; L502-I561 HydrophobicContact CD1-CD1 4.44Å; L502-I561 HydrophobicContact CD2-CD1 4.34Å
503T82.2Confident81Confident6 Ų628.9 Ų28.94%0.03714%0.137CC..BIsolated β-bridgetrans-161155.2178-165.10000110.4I505 V541 N552T503-I505 HydrophobicContact CG2-CD1 3.23Å; T503-I505 HydrophobicContact CG2-CG1 3.87Å; T503-I505 PolarHBondContact O-N 2.97Å; T503-V541 HydrophobicContact CG2-CG1 3.3Å; T503-N552 VanDerWaalsContact CA-O 3.27Å; T503-N552 WeakPolarHBondContact CA-O 3.25Å; T503-N552 WeakPolarHBondContact CB-O 3.14Å; T503-N552 PolarHBondContact OG1-ND2 3.39Å; T503-N552 PolarHBondContact OG1-O 3.14Å; T503-N552 PolarHBondContact OG1-OD1 3.36Å
504K83.2Confident82Confident109 Ų10923.4 Ų23.447%0.47412%0.116SC..PPolyproline II helixtrans-76.2120.3170.3-68.6179178.1179.70109.5Q368 V416 N552Q368-K504 VanDerWaalsContact NE2-NZ 3.19Å; V416-K504 HydrophobicContact CG1-CB 3.7Å; K504-N552 PolarHBondContact N-OD1 2.92Å; K504-N552 PolarHBondContact O-ND2 2.94Å
505I84.2Confident83.2Confident21 Ų2124.1 Ų24.111%0.10812%0.12CC..PPolyproline II helixtrans-103.6121.8-176.3-56.4-73.9000110.2T36 A40 T503 I513 V541T36-I505 HydrophobicContact CG2-CD1 4.06Å; T36-I505 HydrophobicContact CG2-CG1 4.23Å; T36-I505 HydrophobicContact CG2-CG2 4.3Å; A40-I505 HydrophobicContact CB-CG2 4.23Å; T503-I505 HydrophobicContact CG2-CD1 3.23Å; T503-I505 HydrophobicContact CG2-CG1 3.87Å; T503-I505 PolarHBondContact O-N 2.97Å; I505-I513 HydrophobicContact CD1-CD1 3.39Å; I505-V541 HydrophobicContact CD1-CG1 4.45Å
506S89.6Confident84.2Confident8 Ų823.9 Ų23.96%0.05612%0.119CC..PPolyproline II helixtrans-90.3159.1162.274.80000110.7V416 D418 S508 S509 G510V416-S506 WeakPolarHBondContact O-CB 3.27Å; V416-S506 PolarHBondContact O-OG 3.32Å; D418-S506 VanDerWaalsContact CG-CB 3.46Å; D418-S506 VanDerWaalsContact CG-OG 3.27Å; D418-S506 WeakPolarHBondContact OD1-CB 3.47Å; D418-S506 PolarHBondContact OD1-OG 3.43Å; D418-S506 VanDerWaalsContact OD2-CB 3.31Å; D418-S506 WeakPolarHBondContact OD2-CB 3.37Å; D418-S506 PolarHBondContact OD2-OG 2.99Å; S506-S508 VanDerWaalsContact C-N 3.26Å; S506-S508 PolarHBondContact O-N 3.3Å; S506-S508 PolarHBondContact OG-OG 3.13Å; S506-S509 PolarHBondContact O-N 3.43Å; S506-S509 VanDerWaalsContact O-N 3.12Å; S506-S509 PolarHBondContact OG-N 3.31Å; S506-S509 PolarHBondContact OG-OG 2.87Å; S506-G510 PolarHBondContact O-N 3.34Å
507P90.9Very high85.5Confident14 Ų1419.3 Ų19.39%0.09110%0.098CC..Hα-helixtrans-53.6-39.4177.4-29.636.2000114.4A40 V42 D418 A423 F426 Q430 G510 V511A40-P507 HydrophobicContact CB-CG 4.33Å; V42-P507 HydrophobicContact CG2-CB 4.12Å; V42-P507 HydrophobicContact CG2-CG 3.84Å; D418-P507 WeakPolarHBondContact OD2-CD 3.33Å; A423-P507 HydrophobicContact CB-CG 4.32Å; F426-P507 HydrophobicContact CB-CB 3.69Å; Q430-P507 VanDerWaalsContact OE1-CA 3.3Å; P507-G510 PolarHBondContact O-N 2.86Å; P507-V511 WeakPolarHBondContact O-CG2 3.34Å; P507-V511 PolarHBondContact O-N 3.38Å
508S92.1Very high87Confident0 Ų018.3 Ų18.30%09%0.092CC..Hα-helixtrans-66.3-42.1177.575.40000112.4D418 S506 G510 V511 C512D418-S508 VanDerWaalsContact CG-OG 3.26Å; D418-S508 WeakPolarHBondContact OD1-CB 3.24Å; D418-S508 PolarHBondContact OD1-OG 3.38Å; D418-S508 VanDerWaalsContact OD2-CB 3.3Å; D418-S508 WeakPolarHBondContact OD2-CB 3.47Å; D418-S508 PolarHBondContact OD2-N 2.84Å; D418-S508 PolarHBondContact OD2-OG 2.87Å; S506-S508 VanDerWaalsContact C-N 3.26Å; S506-S508 PolarHBondContact O-N 3.3Å; S506-S508 PolarHBondContact OG-OG 3.13Å; S508-G510 VanDerWaalsContact C-N 3.33Å; S508-V511 PolarHBondContact O-N 2.93Å; S508-C512 PolarHBondContact O-N 3.25Å; S508-C512 PolarHBondContact O-SG 2.93Å
509S92.3Very high88.4Confident3 Ų320.7 Ų20.72%0.02111%0.105CC..Hα-helixtrans-63.8-40.4172.5-68.70000111.4S506 C512 I513S506-S509 PolarHBondContact O-N 3.43Å; S506-S509 VanDerWaalsContact O-N 3.12Å; S506-S509 PolarHBondContact OG-N 3.31Å; S506-S509 PolarHBondContact OG-OG 2.87Å; S509-C512 PolarHBondContact O-N 2.91Å; S509-I513 WeakPolarHBondContact O-CD1 3.42Å; S509-I513 VanDerWaalsContact O-CG1 3.25Å; S509-I513 WeakPolarHBondContact O-CG1 3.49Å; S509-I513 PolarHBondContact O-N 2.94Å
510G93.3Very high89.9Confident0 Ų021.4 Ų21.40%011%0.108CC..Hα-helixtrans-57.4-48.217600000112.7S506 P507 S508 C512 I513 E514S506-G510 PolarHBondContact O-N 3.34Å; P507-G510 PolarHBondContact O-N 2.86Å; S508-G510 VanDerWaalsContact C-N 3.33Å; G510-C512 VanDerWaalsContact C-N 3.31Å; G510-C512 PolarHBondContact O-N 3.47Å; G510-I513 PolarHBondContact O-N 2.87Å; G510-E514 WeakPolarHBondContact O-CB 3.22Å; G510-E514 VanDerWaalsContact O-CG 3.26Å; G510-E514 WeakPolarHBondContact O-CG 3.24Å; G510-E514 PolarHBondContact O-N 3.37Å
511V94.1Very high91.1Very high0 Ų016.6 Ų16.60%09%0.087CC..Hα-helixtrans-54.5-46.4173.8168.50000111.4F190 F426 L429 Q430 T433 P507 S508 I515F190-V511 HydrophobicContact CE1-CG1 4.03Å; F190-V511 HydrophobicContact CZ-CG1 3.66Å; F426-V511 HydrophobicContact CD1-CG2 4.25Å; L429-V511 HydrophobicContact CB-CG2 3.72Å; Q430-V511 HydrophobicContact CB-CG2 3.79Å; Q430-V511 HydrophobicContact CG-CG2 4.32Å; T433-V511 HydrophobicContact CG2-CG1 4.28Å; P507-V511 WeakPolarHBondContact O-CG2 3.34Å; P507-V511 PolarHBondContact O-N 3.38Å; S508-V511 PolarHBondContact O-N 2.93Å; V511-I515 HydrophobicContact CG1-CD1 3.84Å; V511-I515 WeakPolarHBondContact O-CD1 3.5Å; V511-I515 VanDerWaalsContact O-CG1 3.26Å; V511-I515 WeakPolarHBondContact O-CG1 3.44Å; V511-I515 PolarHBondContact O-N 3.46Å; V511-I515 VanDerWaalsContact O-N 3.12Å
512C94.6Very high92.1Very high1 Ų113.1 Ų13.11%0.0077%0.068CC..Hα-helixtrans-64.3-46.1-178.8-58.30000111.6S162 V165 F166 S508 S509 G510 I515 G516 V544S162-C512 PolarHBondContact OG-O 2.95Å; S162-C512 VanDerWaalsContact OG-O 3.09Å; V165-C512 HydrophobicContact CG1-CB 4.24Å; F166-C512 VanDerWaalsContact CA-SG 3.53Å; F166-C512 HydrophobicContact CB-CB 4.12Å; S508-C512 PolarHBondContact O-N 3.25Å; S508-C512 PolarHBondContact O-SG 2.93Å; S509-C512 PolarHBondContact O-N 2.91Å; G510-C512 VanDerWaalsContact C-N 3.31Å; G510-C512 PolarHBondContact O-N 3.47Å; C512-I515 PolarHBondContact O-N 3Å; C512-G516 PolarHBondContact O-N 3.37Å; C512-V544 HydrophobicContact CB-CG2 4.18Å
513I94.8Very high93Very high1 Ų118.1 Ų18.11%0.0059%0.093CC..Hα-helixtrans-63.4-46.5-179.9-70.3163.2000111.4T36 I505 S509 G510 I515 S517 K537 V541 V544T36-I513 HydrophobicContact CG2-CG2 4.07Å; I505-I513 HydrophobicContact CD1-CD1 3.39Å; S509-I513 WeakPolarHBondContact O-CD1 3.42Å; S509-I513 VanDerWaalsContact O-CG1 3.25Å; S509-I513 WeakPolarHBondContact O-CG1 3.49Å; S509-I513 PolarHBondContact O-N 2.94Å; G510-I513 PolarHBondContact O-N 2.87Å; I513-I515 VanDerWaalsContact C-N 3.34Å; I513-I515 PolarHBondContact O-N 3.41Å; I513-S517 WeakPolarHBondContact O-CB 3.41Å; I513-S517 PolarHBondContact O-N 3.07Å; I513-S517 VanDerWaalsContact O-N 3.14Å; I513-S517 PolarHBondContact O-OG 2.98Å; I513-K537 HydrophobicContact CG2-CD 3.75Å; I513-V541 HydrophobicContact CD1-CB 4.49Å; I513-V541 HydrophobicContact CD1-CG2 4.14Å; I513-V541 HydrophobicContact CG2-CG2 3.64Å; I513-V544 HydrophobicContact CD1-CB 4.06Å; I513-V544 HydrophobicContact CD1-CG1 4.1Å; I513-V544 HydrophobicContact CG1-CB 3.68Å; I513-V544 HydrophobicContact CG1-CG1 3.99Å; I513-V544 HydrophobicContact CG1-CG2 3.77Å
514E95.4Very high93.7Very high2 Ų218.2 Ų18.21%0.00910%0.095CC..Hα-helixtrans-65.4-37.4-178.3-73.9164.7-162.900111.5T36 Q430 T433 A434 G510 S517 A518T36-E514 WeakPolarHBondContact CB-OE1 3.39Å; T36-E514 WeakPolarHBondContact OG1-CG 3.35Å; T36-E514 PolarHBondContact OG1-OE1 3.35Å; Q430-E514 WeakPolarHBondContact CG-OE1 3.38Å; Q430-E514 VanDerWaalsContact CG-OE2 3.28Å; Q430-E514 WeakPolarHBondContact CG-OE2 3.29Å; Q430-E514 PolarHBondContact NE2-OE1 2.84Å; T433-E514 WeakPolarHBondContact CB-OE2 3.39Å; T433-E514 PolarHBondContact OG1-OE2 2.86Å; A434-E514 PolarHBondContact N-OE2 2.81Å; G510-E514 WeakPolarHBondContact O-CB 3.22Å; G510-E514 VanDerWaalsContact O-CG 3.26Å; G510-E514 WeakPolarHBondContact O-CG 3.24Å; G510-E514 PolarHBondContact O-N 3.37Å; E514-S517 WeakPolarHBondContact CA-OG 3.1Å; E514-S517 PolarHBondContact O-OG 3.38Å; E514-S517 VanDerWaalsContact O-OG 3.12Å; E514-A518 WeakPolarHBondContact O-CB 3.31Å; E514-A518 PolarHBondContact O-N 3.11Å
515I94.9Very high94.3Very high14 Ų1413 Ų137%0.0727%0.072CC..Hα-helixtrans-71.2-48.8178.8-70.8166.7000112.4V165 F190 T433 V511 C512 I513 S517 A518 L519V165-I515 HydrophobicContact CG1-CD1 4.31Å; V165-I515 HydrophobicContact CG2-CG2 3.99Å; F190-I515 HydrophobicContact CE1-CD1 3.31Å; F190-I515 HydrophobicContact CE1-CG1 4.39Å; F190-I515 HydrophobicContact CE2-CD1 4.13Å; F190-I515 HydrophobicContact CZ-CD1 3.01Å; F190-I515 HydrophobicContact CZ-CG1 4.4Å; T433-I515 HydrophobicContact CG2-CD1 3.67Å; T433-I515 HydrophobicContact CG2-CG1 3.42Å; T433-I515 VanDerWaalsContact CG2-CG1 3.42Å; V511-I515 HydrophobicContact CG1-CD1 3.84Å; V511-I515 WeakPolarHBondContact O-CD1 3.5Å; V511-I515 VanDerWaalsContact O-CG1 3.26Å; V511-I515 WeakPolarHBondContact O-CG1 3.44Å; V511-I515 PolarHBondContact O-N 3.46Å; V511-I515 VanDerWaalsContact O-N 3.12Å; C512-I515 PolarHBondContact O-N 3Å; I513-I515 VanDerWaalsContact C-N 3.34Å; I513-I515 PolarHBondContact O-N 3.41Å; I515-S517 PolarHBondContact O-N 2.95Å; I515-A518 PolarHBondContact O-N 2.99Å; I515-L519 HydrophobicContact CG2-CD1 3.53Å; I515-L519 HydrophobicContact CG2-CG 4.07Å; I515-L519 WeakPolarHBondContact O-CB 3.31Å; I515-L519 WeakPolarHBondContact O-CG 3.3Å; I515-L519 PolarHBondContact O-N 3.03Å
516G96.3Very high94.7Very high0 Ų013.5 Ų13.50%07%0.074CC..Hα-helixtrans-64.7-33.3-178.600000111.8S158 S162 C512 T520S158-G516 VanDerWaalsContact OG-C 3.28Å; S158-G516 PolarHBondContact OG-O 3.39Å; S158-G516 VanDerWaalsContact OG-O 3.1Å; S162-G516 VanDerWaalsContact OG-CA 3.25Å; S162-G516 WeakPolarHBondContact OG-CA 3.38Å; C512-G516 PolarHBondContact O-N 3.37Å; G516-T520 WeakPolarHBondContact O-CB 3.21Å; G516-T520 PolarHBondContact O-N 3.44Å; G516-T520 PolarHBondContact O-OG1 3.22Å
517S96.6Very high94.9Very high8 Ų818.6 Ų18.66%0.05610%0.099CC..Hα-helixtrans-69.7-52.5170.553.80000112.7S158 I513 E514 I515 L519 T520 V521 S540S158-S517 WeakPolarHBondContact OG-CA 3.33Å; S158-S517 PolarHBondContact OG-N 2.73Å; I513-S517 WeakPolarHBondContact O-CB 3.41Å; I513-S517 PolarHBondContact O-N 3.07Å; I513-S517 VanDerWaalsContact O-N 3.14Å; I513-S517 PolarHBondContact O-OG 2.98Å; E514-S517 WeakPolarHBondContact CA-OG 3.1Å; E514-S517 PolarHBondContact O-OG 3.38Å; E514-S517 VanDerWaalsContact O-OG 3.12Å; I515-S517 PolarHBondContact O-N 2.95Å; S517-L519 PolarHBondContact O-N 2.94Å; S517-T520 PolarHBondContact O-N 3.23Å; S517-V521 VanDerWaalsContact O-CG2 3.29Å; S517-V521 WeakPolarHBondContact O-CG2 3.35Å; S517-V521 PolarHBondContact O-N 3.46Å; S517-S540 PolarHBondContact N-OG 3.28Å
518A96.3Very high95Very high2 Ų218.1 Ų18.12%0.01710%0.097CC..Hα-helixtrans-59.8-43.1-178.700000113.1F436 E514 I515 T520 V521 L522F436-A518 HydrophobicContact CD1-CB 3.58Å; F436-A518 HydrophobicContact CD2-CB 4.16Å; F436-A518 HydrophobicContact CE1-CB 3.59Å; F436-A518 HydrophobicContact CE2-CB 4.15Å; F436-A518 HydrophobicContact CG-CB 3.87Å; F436-A518 HydrophobicContact CZ-CB 3.88Å; E514-A518 WeakPolarHBondContact O-CB 3.31Å; E514-A518 PolarHBondContact O-N 3.11Å; I515-A518 PolarHBondContact O-N 2.99Å; A518-T520 PolarHBondContact O-N 3.43Å; A518-V521 PolarHBondContact O-N 3.48Å; A518-L522 WeakPolarHBondContact O-CB 3.15Å; A518-L522 PolarHBondContact O-N 3.07Å
519L95.8Very high95.2Very high56 Ų5620.1 Ų20.129%0.29311%0.107SC..Hα-helixtrans-62.3-43.6177.1-74173.1000111.9V197 F436 I515 S517 L522 I523V197-L519 HydrophobicContact CG1-CD2 4.19Å; F436-L519 HydrophobicContact CE1-CD2 3.97Å; F436-L519 HydrophobicContact CE1-CG 4.12Å; F436-L519 HydrophobicContact CZ-CD2 3.98Å; F436-L519 HydrophobicContact CZ-CG 4.41Å; I515-L519 HydrophobicContact CG2-CD1 3.53Å; I515-L519 HydrophobicContact CG2-CG 4.07Å; I515-L519 WeakPolarHBondContact O-CB 3.31Å; I515-L519 WeakPolarHBondContact O-CG 3.3Å; I515-L519 PolarHBondContact O-N 3.03Å; S517-L519 PolarHBondContact O-N 2.94Å; L519-L522 PolarHBondContact O-N 3.14Å; L519-I523 WeakPolarHBondContact O-CB 3.46Å; L519-I523 VanDerWaalsContact O-CG1 3.26Å; L519-I523 WeakPolarHBondContact O-CG1 3.36Å; L519-I523 PolarHBondContact O-N 3Å
520T97.3Very high95.4Very high16 Ų1620 Ų2010%0.09811%0.106CC..Hα-helixtrans-63.2-46179.2-56.90000110.8S158 G516 S517 A518 I523 A524 I531S158-T520 WeakPolarHBondContact CA-OG1 3.34Å; G516-T520 WeakPolarHBondContact O-CB 3.21Å; G516-T520 PolarHBondContact O-N 3.44Å; G516-T520 PolarHBondContact O-OG1 3.22Å; S517-T520 PolarHBondContact O-N 3.23Å; A518-T520 PolarHBondContact O-N 3.43Å; T520-I523 PolarHBondContact O-N 3.45Å; T520-A524 WeakPolarHBondContact O-CB 3.47Å; T520-A524 PolarHBondContact O-N 3.38Å; T520-I531 HydrophobicContact CG2-CD1 4.3Å
521V97.2Very high95.5Very high6 Ų620 Ų204%0.03611%0.107CC..Hα-helixtrans-65.3-41.4178177.30000111.6A440 N444 S517 A518 A524 S525 I531 T533 C536A440-V521 HydrophobicContact CB-CB 4.12Å; A440-V521 HydrophobicContact CB-CG1 3.9Å; A440-V521 WeakPolarHBondContact O-CG1 3.46Å; N444-V521 HydrophobicContact CB-CG1 3.9Å; S517-V521 VanDerWaalsContact O-CG2 3.29Å; S517-V521 WeakPolarHBondContact O-CG2 3.35Å; S517-V521 PolarHBondContact O-N 3.46Å; A518-V521 PolarHBondContact O-N 3.48Å; V521-A524 PolarHBondContact O-N 2.99Å; V521-S525 WeakPolarHBondContact O-CB 3.33Å; V521-S525 PolarHBondContact O-N 3.49Å; V521-S525 PolarHBondContact O-OG 3.04Å; V521-I531 HydrophobicContact CB-CD1 4.46Å; V521-I531 HydrophobicContact CG2-CD1 4.05Å; V521-T533 HydrophobicContact CG1-CG2 3.79Å; V521-T533 HydrophobicContact CG2-CG2 3.84Å; V521-C536 HydrophobicContact CG2-CB 4.15Å
522L96.4Very high95.6Very high7 Ų720.1 Ų20.14%0.03711%0.107CC..Hα-helixtrans-62.2-48.5177.7-175.171.6000111.5L63 V197 S201 F436 A440 A518 L519 S525 K526L63-L522 HydrophobicContact CD1-CD1 3.61Å; V197-L522 HydrophobicContact CG1-CD2 3.6Å; S201-L522 VanDerWaalsContact OG-CD1 3.24Å; S201-L522 WeakPolarHBondContact OG-CD1 3.25Å; F436-L522 HydrophobicContact CE2-CB 4.3Å; F436-L522 HydrophobicContact CE2-CD1 4.44Å; F436-L522 HydrophobicContact CE2-CD2 3.83Å; F436-L522 HydrophobicContact CE2-CG 4.42Å; F436-L522 HydrophobicContact CZ-CB 4.35Å; F436-L522 HydrophobicContact CZ-CD2 3.85Å; A440-L522 HydrophobicContact CB-CB 4.29Å; A518-L522 WeakPolarHBondContact O-CB 3.15Å; A518-L522 PolarHBondContact O-N 3.07Å; L519-L522 PolarHBondContact O-N 3.14Å; L522-S525 PolarHBondContact O-N 3.06Å; L522-K526 WeakPolarHBondContact O-CB 3.46Å; L522-K526 PolarHBondContact O-N 3.39Å
523I95.7Very high95.6Very high106 Ų10620.3 Ų20.354%0.54411%0.108SC..Hα-helixtrans-60.8-48.2179-69.4166.8000109.8L519 T520 S525 K526 I527L519-I523 WeakPolarHBondContact O-CB 3.46Å; L519-I523 VanDerWaalsContact O-CG1 3.26Å; L519-I523 WeakPolarHBondContact O-CG1 3.36Å; L519-I523 PolarHBondContact O-N 3Å; T520-I523 PolarHBondContact O-N 3.45Å; I523-S525 PolarHBondContact O-N 3.27Å; I523-K526 PolarHBondContact O-N 3.32Å; I523-K526 VanDerWaalsContact O-N 3.11Å; I523-I527 WeakPolarHBondContact O-CG1 3.38Å; I523-I527 PolarHBondContact O-N 3.2Å; I523-I527 VanDerWaalsContact O-N 3.1Å
524A96.6Very high95.5Very high8 Ų820.2 Ų20.27%0.06611%0.108CC..Hα-helixtrans-59-45.4177.900000112.1T520 V521 K526 I527 G528 L529 I531T520-A524 WeakPolarHBondContact O-CB 3.47Å; T520-A524 PolarHBondContact O-N 3.38Å; V521-A524 PolarHBondContact O-N 2.99Å; A524-K526 PolarHBondContact O-N 2.89Å; A524-I527 VanDerWaalsContact O-CG1 3.31Å; A524-I527 WeakPolarHBondContact O-CG1 3.36Å; A524-I527 PolarHBondContact O-N 3.49Å; A524-G528 PolarHBondContact O-N 2.87Å; A524-L529 HydrophobicContact CB-CB 4.45Å; A524-L529 PolarHBondContact O-N 2.95Å; A524-I531 HydrophobicContact CB-CB 4.38Å; A524-I531 HydrophobicContact CB-CD1 3.55Å; A524-I531 HydrophobicContact CB-CG1 3.78Å; A524-I531 HydrophobicContact CB-CG2 3.69Å
525S95.7Very high95.4Very high1 Ų120.4 Ų20.41%0.00711%0.108CC..Hα-helixtrans-59.4-37.4176.4-560000111.8N444 V521 L522 I523 G528N444-S525 WeakPolarHBondContact CB-OG 3.5Å; N444-S525 PolarHBondContact ND2-OG 2.95Å; V521-S525 WeakPolarHBondContact O-CB 3.33Å; V521-S525 PolarHBondContact O-N 3.49Å; V521-S525 PolarHBondContact O-OG 3.04Å; L522-S525 PolarHBondContact O-N 3.06Å; I523-S525 PolarHBondContact O-N 3.27Å; S525-G528 PolarHBondContact O-N 3.46Å; S525-G528 VanDerWaalsContact O-N 3.15Å
526K92.5Very high95.5Very high31 Ų3119.7 Ų19.714%0.13511%0.105CC..Hα-helixtrans-71.3-35.3-179.8-84.9-52.9-157.5172.60115.7L63 K66 S201 Y204 E205 L522 I523 A524L63-K526 HydrophobicContact CD2-CD 4.09Å; K66-K526 VanDerWaalsContact CD-O 3.25Å; K66-K526 WeakPolarHBondContact CD-O 3.37Å; K66-K526 PolarHBondContact NZ-O 3.21Å; S201-K526 WeakPolarHBondContact O-CE 3.19Å; S201-K526 PolarHBondContact O-NZ 2.8Å; S201-K526 WeakPolarHBondContact OG-CE 3.39Å; S201-K526 WeakPolarHBondContact OG-CG 3.22Å; Y204-K526 PolarHBondContact O-NZ 3.07Å; E205-K526 PolarHBondContact O-NZ 3.26Å; L522-K526 WeakPolarHBondContact O-CB 3.46Å; L522-K526 PolarHBondContact O-N 3.39Å; I523-K526 PolarHBondContact O-N 3.32Å; I523-K526 VanDerWaalsContact O-N 3.11Å; A524-K526 PolarHBondContact O-N 2.89Å
527I93.3Very high95.3Very high115 Ų11519.9 Ų19.959%0.5911%0.106SC*.THydrogen-bonded Turntrans-84.92.8171.464.3176.7000112.4I523 A524 L529I523-I527 WeakPolarHBondContact O-CG1 3.38Å; I523-I527 PolarHBondContact O-N 3.2Å; I523-I527 VanDerWaalsContact O-N 3.1Å; A524-I527 VanDerWaalsContact O-CG1 3.31Å; A524-I527 WeakPolarHBondContact O-CG1 3.36Å; A524-I527 PolarHBondContact O-N 3.49Å; I527-L529 HydrophobicContact CD1-CB 4.45Å; I527-L529 HydrophobicContact CD1-CD1 3.5Å; I527-L529 VanDerWaalsContact CD1-CD1 3.5Å; I527-L529 HydrophobicContact CD1-CG 3.87Å; I527-L529 HydrophobicContact CG1-CB 4.22Å; I527-L529 HydrophobicContact CG1-CD1 4.1Å; I527-L529 HydrophobicContact CG1-CG 3.89Å
528G93.7Very high95.1Very high4 Ų419.5 Ų19.54%0.04110%0.103CC..THydrogen-bonded Turntrans74.220.517700000114.2T70 A524 S525 P530T70-G528 WeakPolarHBondContact CB-O 3.5Å; T70-G528 PolarHBondContact OG1-O 3.4Å; A524-G528 PolarHBondContact O-N 2.87Å; S525-G528 PolarHBondContact O-N 3.46Å; S525-G528 VanDerWaalsContact O-N 3.15Å; G528-P530 WeakPolarHBondContact O-CD 3.37Å
529L95.8Very high95Very high41 Ų4119.8 Ų19.822%0.21511%0.106CC..  trans-87.1121.5177.2-71.1-176.1000111.1K146 N444 A524 I527 I531K146-L529 HydrophobicContact CB-CD2 4.44Å; N444-L529 PolarHBondContact ND2-O 3.14Å; N444-L529 VanDerWaalsContact ND2-O 3.13Å; A524-L529 HydrophobicContact CB-CB 4.45Å; A524-L529 PolarHBondContact O-N 2.95Å; I527-L529 HydrophobicContact CD1-CB 4.45Å; I527-L529 HydrophobicContact CD1-CD1 3.5Å; I527-L529 VanDerWaalsContact CD1-CD1 3.5Å; I527-L529 HydrophobicContact CD1-CG 3.87Å; I527-L529 HydrophobicContact CG1-CB 4.22Å; I527-L529 HydrophobicContact CG1-CD1 4.1Å; I527-L529 HydrophobicContact CG1-CG 3.89Å; L529-I531 HydrophobicContact CB-CG2 4.33Å; L529-I531 PolarHBondContact O-N 3.06Å
530P96.5Very high95Very high0 Ų017.1 Ų17.10%09%0.092CC..  trans-73.7114.6169.830.5-33000109V67 T70 I71 T119 I147 W151 G528V67-P530 HydrophobicContact CG1-CB 3.73Å; T70-P530 HydrophobicContact CG2-CG 4.1Å; I71-P530 HydrophobicContact CD1-CB 3.54Å; I71-P530 HydrophobicContact CD1-CG 3.76Å; I71-P530 HydrophobicContact CG1-CB 4.15Å; I71-P530 HydrophobicContact CG1-CG 4.47Å; T119-P530 HydrophobicContact CG2-CB 3.66Å; I147-P530 HydrophobicContact CD1-CG 3.92Å; I147-P530 HydrophobicContact CG1-CG 3.88Å; I147-P530 HydrophobicContact CG2-CG 4.16Å; W151-P530 PolarHBondContact NE1-O 3.25Å; G528-P530 WeakPolarHBondContact O-CD 3.37Å
531I96.7Very high94.7Very high2 Ų216.5 Ų16.51%0.019%0.088CC..  trans-119.1172178.966.6162.7000110.5T119 S150 N444 T520 V521 A524 L529 C536T119-I531 VanDerWaalsContact CB-O 3.26Å; T119-I531 WeakPolarHBondContact CB-O 3.1Å; T119-I531 PolarHBondContact OG1-O 3.46Å; S150-I531 WeakPolarHBondContact OG-CG2 3.3Å; N444-I531 PolarHBondContact OD1-N 3.49Å; N444-I531 VanDerWaalsContact OD1-N 3.09Å; N444-I531 PolarHBondContact OD1-O 3.47Å; T520-I531 HydrophobicContact CG2-CD1 4.3Å; V521-I531 HydrophobicContact CB-CD1 4.46Å; V521-I531 HydrophobicContact CG2-CD1 4.05Å; A524-I531 HydrophobicContact CB-CB 4.38Å; A524-I531 HydrophobicContact CB-CD1 3.55Å; A524-I531 HydrophobicContact CB-CG1 3.78Å; A524-I531 HydrophobicContact CB-CG2 3.69Å; L529-I531 HydrophobicContact CB-CG2 4.33Å; L529-I531 PolarHBondContact O-N 3.06Å; I531-C536 WeakPolarHBondContact CD1-SG 3.5Å
532S95.3Very high94.5Very high1 Ų116.9 Ų16.91%0.0079%0.091CC..  trans-92.4109.8173178.20000110.4S117 T534 H535 C536S117-S532 VanDerWaalsContact CB-OG 3.28Å; S117-S532 WeakPolarHBondContact CB-OG 3.46Å; S117-S532 VanDerWaalsContact OG-CB 3.29Å; S117-S532 WeakPolarHBondContact OG-CB 3.37Å; S117-S532 PolarHBondContact OG-OG 3.35Å; S532-T534 VanDerWaalsContact C-N 3.26Å; S532-T534 PolarHBondContact O-N 2.89Å; S532-H535 PolarHBondContact O-N 3.21Å; S532-H535 PolarHBondContact OG-CD2 2.84Å; S532-H535 PolarHBondContact OG-N 3.12Å; S532-H535 VanDerWaalsContact OG-N 3.1Å; S532-H535 PolarHBondContact OG-NE2 3.25Å; S532-C536 PolarHBondContact O-N 3.34Å; S532-C536 VanDerWaalsContact O-N 3.08Å; S532-C536 PolarHBondContact O-SG 3.32Å
533T94.7Very high94.4Very high5 Ų519.7 Ų19.73%0.03110%0.103CC..Hα-helixtrans-61.9-37.8173.158.80000110.9N32 H441 N444 D445 V521 H535 C536 K537N32-T533 PolarHBondContact ND2-OG1 2.85Å; H441-T533 PolarHBondContact CD2-OG1 3.34Å; N444-T533 HydrophobicContact CB-CG2 4.42Å; D445-T533 VanDerWaalsContact OD1-CG2 3.28Å; D445-T533 WeakPolarHBondContact OD1-CG2 3.26Å; D445-T533 WeakPolarHBondContact OD2-CB 3.39Å; D445-T533 WeakPolarHBondContact OD2-CG2 3.43Å; D445-T533 PolarHBondContact OD2-OG1 2.99Å; V521-T533 HydrophobicContact CG1-CG2 3.79Å; V521-T533 HydrophobicContact CG2-CG2 3.84Å; T533-H535 VanDerWaalsContact C-N 3.34Å; T533-H535 PolarHBondContact O-N 2.82Å; T533-C536 WeakPolarHBondContact O-CB 3.47Å; T533-C536 PolarHBondContact O-N 2.85Å; T533-K537 PolarHBondContact O-N 3.26Å
534T92.7Very high94.3Very high0 Ų014.7 Ų14.70%08%0.077CC..Hα-helixtrans-57.6-43.9173-52.80000111.6D29 N32 P115 V116 S532 K537 V538D29-T534 PolarHBondContact OD1-OG1 2.93Å; N32-T534 WeakPolarHBondContact ND2-CA 3.32Å; N32-T534 PolarHBondContact ND2-N 3.42Å; N32-T534 VanDerWaalsContact ND2-N 3.18Å; N32-T534 PolarHBondContact ND2-OG1 3.49Å; N32-T534 WeakPolarHBondContact OD1-CA 3.31Å; P115-T534 HydrophobicContact CB-CG2 3.92Å; V116-T534 WeakPolarHBondContact O-CB 3.48Å; V116-T534 PolarHBondContact O-OG1 2.93Å; S532-T534 VanDerWaalsContact C-N 3.26Å; S532-T534 PolarHBondContact O-N 2.89Å; T534-K537 PolarHBondContact O-N 3.22Å; T534-V538 WeakPolarHBondContact O-CB 3.36Å; T534-V538 VanDerWaalsContact O-CG2 3.28Å; T534-V538 WeakPolarHBondContact O-CG2 3.39Å; T534-V538 PolarHBondContact O-N 3.4Å
535H93.3Very high94Very high5 Ų514.4 Ų14.42%0.0238%0.075CC..Hα-helixtrans-66.8-44.6177.8-65.9-167.1000111.5H120 P155 S532 T533 K537 V538 G539 W565H120-H535 AromaticContact CE1-CE1 3.13Å; H120-H535 PolarHBondContact CE1-CE1 3.26Å; H120-H535 AromaticContact CE1-NE2 3.78Å; H120-H535 AromaticContact ND1-CE1 3.92Å; H120-H535 AromaticContact NE2-CE1 3.33Å; H120-H535 PolarHBondContact NE2-CE1 3.21Å; H120-H535 VanDerWaalsContact NE2-CE1 3.33Å; H120-H535 AromaticContact NE2-ND1 3.93Å; H120-H535 AromaticContact NE2-NE2 3.99Å; P155-H535 HydrophobicContact CB-CB 4.1Å; P155-H535 WeakPolarHBondContact CB-O 3.33Å; P155-H535 HydrophobicContact CG-CB 4.17Å; S532-H535 PolarHBondContact O-N 3.21Å; S532-H535 PolarHBondContact OG-CD2 2.84Å; S532-H535 PolarHBondContact OG-N 3.12Å; S532-H535 VanDerWaalsContact OG-N 3.1Å; S532-H535 PolarHBondContact OG-NE2 3.25Å; T533-H535 VanDerWaalsContact C-N 3.34Å; T533-H535 PolarHBondContact O-N 2.82Å; H535-K537 VanDerWaalsContact C-N 3.27Å; H535-K537 PolarHBondContact O-N 3.23Å; H535-V538 PolarHBondContact O-N 3.12Å; H535-G539 PolarHBondContact O-N 2.88Å; H535-W565 HydrophobicContact CB-CH2 3.91Å; H535-W565 HydrophobicContact CB-CZ2 4.08Å; H535-W565 HydrophobicContact CB-CZ3 4.28Å; H535-W565 AromaticContact CD2-CD1 3.73Å; H535-W565 AromaticContact CD2-CD2 3.29Å; H535-W565 AromaticContact CD2-CE2 3.01Å; H535-W565 AromaticContact CD2-CE3 3.78Å; H535-W565 AromaticContact CD2-CG 3.75Å; H535-W565 AromaticContact CD2-CH2 3.83Å; H535-W565 AromaticContact CD2-CZ2 3.33Å; H535-W565 WeakPolarHBondContact CD2-CZ2 3.24Å; H535-W565 AromaticContact CD2-NE1 3.31Å; H535-W565 PolarHBondContact CD2-NE1 3Å; H535-W565 VanDerWaalsContact CD2-NE1 3.31Å; H535-W565 AromaticContact CE1-CD2 3.48Å; H535-W565 VanDerWaalsContact CE1-CD2 3.48Å; H535-W565 AromaticContact CE1-CE3 3.56Å; H535-W565 AromaticContact CE1-CG 3.68Å; H535-W565 AromaticContact CG-CD2 3.9Å; H535-W565 AromaticContact CG-CE2 3.79Å; H535-W565 AromaticContact CG-CE3 3.9Å; H535-W565 AromaticContact CG-CH2 3.76Å; H535-W565 AromaticContact CG-CZ2 3.74Å; H535-W565 AromaticContact CG-CZ3 3.83Å; H535-W565 AromaticContact ND1-CE3 3.78Å; H535-W565 AromaticContact ND1-CZ3 3.96Å; H535-W565 AromaticContact NE2-CD1 3.29Å; H535-W565 VanDerWaalsContact NE2-CD1 3.29Å; H535-W565 AromaticContact NE2-CD2 3.07Å; H535-W565 AromaticContact NE2-CE2 3.31Å; H535-W565 VanDerWaalsContact NE2-CE2 3.31Å; H535-W565 AromaticContact NE2-CE3 3.64Å; H535-W565 AromaticContact NE2-CG 3.08Å; H535-W565 AromaticContact NE2-NE1 3.42Å; H535-W565 PolarHBondContact NE2-NE1 2.62Å
536C96Very high93.9Very high0 Ų019.6 Ų19.60%09%0.094CC..Hα-helixtrans-56.2-46.4176.7-65.10000110.8S158 V521 I531 S532 T533 G539 S540S158-C536 PolarHBondContact OG-O 3.11Å; V521-C536 HydrophobicContact CG2-CB 4.15Å; I531-C536 WeakPolarHBondContact CD1-SG 3.5Å; S532-C536 PolarHBondContact O-N 3.34Å; S532-C536 VanDerWaalsContact O-N 3.08Å; S532-C536 PolarHBondContact O-SG 3.32Å; T533-C536 WeakPolarHBondContact O-CB 3.47Å; T533-C536 PolarHBondContact O-N 2.85Å; C536-G539 PolarHBondContact O-N 3.49Å; C536-S540 WeakPolarHBondContact O-CB 3.47Å; C536-S540 PolarHBondContact O-N 2.8Å; C536-S540 PolarHBondContact O-OG 3.06Å
537K93.9Very high93.8Very high4 Ų419.3 Ų19.32%0.01710%0.098CC..Hα-helixtrans-63.7-50.9179.2-169.366.5168-152.30111.7N32 T36 I513 T533 T534 H535 G539 S540 V541N32-K537 HydrophobicContact CB-CB 4.23Å; N32-K537 WeakPolarHBondContact O-CD 3.33Å; N32-K537 WeakPolarHBondContact O-CE 3.37Å; N32-K537 PolarHBondContact O-NZ 2.92Å; T36-K537 VanDerWaalsContact CG2-CE 3.46Å; T36-K537 PolarHBondContact OG1-NZ 2.8Å; I513-K537 HydrophobicContact CG2-CD 3.75Å; T533-K537 PolarHBondContact O-N 3.26Å; T534-K537 PolarHBondContact O-N 3.22Å; H535-K537 VanDerWaalsContact C-N 3.27Å; H535-K537 PolarHBondContact O-N 3.23Å; K537-G539 VanDerWaalsContact C-N 3.34Å; K537-G539 PolarHBondContact O-N 3.24Å; K537-S540 WeakPolarHBondContact O-CB 3.49Å; K537-S540 PolarHBondContact O-N 3.15Å; K537-V541 HydrophobicContact CG-CG2 4.3Å; K537-V541 VanDerWaalsContact O-CG2 3.22Å; K537-V541 WeakPolarHBondContact O-CG2 3.44Å; K537-V541 PolarHBondContact O-N 3.4Å
538V91.3Very high93.4Very high0 Ų015.1 Ų15.10%08%0.075CC..Hα-helixtrans-59.4-44.7179170.50000111.1L498 L502 T534 H535 S540 V541 V542 F558 I561 W565L498-V538 HydrophobicContact CD2-CG2 4.19Å; L502-V538 HydrophobicContact CD2-CG1 4.26Å; L502-V538 HydrophobicContact CD2-CG2 4.44Å; T534-V538 WeakPolarHBondContact O-CB 3.36Å; T534-V538 VanDerWaalsContact O-CG2 3.28Å; T534-V538 WeakPolarHBondContact O-CG2 3.39Å; T534-V538 PolarHBondContact O-N 3.4Å; H535-V538 PolarHBondContact O-N 3.12Å; V538-S540 PolarHBondContact O-N 3.26Å; V538-V541 PolarHBondContact O-N 3.49Å; V538-V542 HydrophobicContact CG1-CG2 4.3Å; V538-V542 VanDerWaalsContact O-CG2 3.29Å; V538-V542 WeakPolarHBondContact O-CG2 3.13Å; V538-V542 PolarHBondContact O-N 3.15Å; V538-F558 HydrophobicContact CG1-CD2 3.83Å; V538-F558 HydrophobicContact CG1-CE2 3.79Å; V538-I561 HydrophobicContact CG1-CG2 4.27Å; V538-I561 HydrophobicContact CG2-CD1 4.2Å; V538-I561 HydrophobicContact CG2-CG2 4.19Å; V538-W565 HydrophobicContact CB-CH2 4.05Å; V538-W565 HydrophobicContact CB-CZ2 3.81Å; V538-W565 HydrophobicContact CG1-CH2 3.92Å; V538-W565 HydrophobicContact CG1-CZ2 3.91Å; V538-W565 HydrophobicContact CG2-CZ2 4.05Å
539G94.4Very high93Very high8 Ų816.6 Ų16.68%0.0828%0.084CC..Hα-helixtrans-57.9-46175.700000112.4H535 C536 K537 V542 F543H535-G539 PolarHBondContact O-N 2.88Å; C536-G539 PolarHBondContact O-N 3.49Å; K537-G539 VanDerWaalsContact C-N 3.34Å; K537-G539 PolarHBondContact O-N 3.24Å; G539-V542 PolarHBondContact O-N 2.95Å; G539-F543 WeakPolarHBondContact O-CD2 3.41Å; G539-F543 PolarHBondContact O-N 3.4Å; G539-F543 VanDerWaalsContact O-N 3.11Å
540S95.7Very high92.2Very high0 Ų021.5 Ų21.50%010%0.104CC..Hα-helixtrans-60.2-47174-75.20000113.2S158 S162 S517 C536 K537 V538 F543 V544S158-S540 PolarHBondContact O-OG 2.99Å; S158-S540 VanDerWaalsContact O-OG 3.13Å; S158-S540 PolarHBondContact OG-OG 2.9Å; S162-S540 WeakPolarHBondContact OG-CB 3.47Å; S162-S540 PolarHBondContact OG-OG 3.32Å; S517-S540 PolarHBondContact N-OG 3.28Å; C536-S540 WeakPolarHBondContact O-CB 3.47Å; C536-S540 PolarHBondContact O-N 2.8Å; C536-S540 PolarHBondContact O-OG 3.06Å; K537-S540 WeakPolarHBondContact O-CB 3.49Å; K537-S540 PolarHBondContact O-N 3.15Å; V538-S540 PolarHBondContact O-N 3.26Å; S540-F543 PolarHBondContact O-N 3.46Å; S540-V544 WeakPolarHBondContact O-CB 3.37Å; S540-V544 WeakPolarHBondContact O-CG2 3.45Å; S540-V544 PolarHBondContact O-N 3.48Å
541V91.6Very high91.5Very high2 Ų228.5 Ų28.51%0.01214%0.141CC..Hα-helixtrans-61-45.9179.7173.70000111L502 T503 I505 I513 K537 V538 G545L502-V541 HydrophobicContact CB-CG1 4.45Å; L502-V541 HydrophobicContact CD2-CB 4.09Å; L502-V541 HydrophobicContact CD2-CG1 3.63Å; L502-V541 HydrophobicContact CG-CG1 3.92Å; T503-V541 HydrophobicContact CG2-CG1 3.3Å; I505-V541 HydrophobicContact CD1-CG1 4.45Å; I513-V541 HydrophobicContact CD1-CB 4.49Å; I513-V541 HydrophobicContact CD1-CG2 4.14Å; I513-V541 HydrophobicContact CG2-CG2 3.64Å; K537-V541 HydrophobicContact CG-CG2 4.3Å; K537-V541 VanDerWaalsContact O-CG2 3.22Å; K537-V541 WeakPolarHBondContact O-CG2 3.44Å; K537-V541 PolarHBondContact O-N 3.4Å; V538-V541 PolarHBondContact O-N 3.49Å; V541-G545 WeakPolarHBondContact O-CA 3.44Å; V541-G545 PolarHBondContact O-N 2.9Å
542V92.7Very high90.9Very high14 Ų1429.3 Ų29.39%0.08515%0.145CC..Hα-helixtrans-64.2-46.1-179.6170.40000111.4V538 G539 R546 V553 F558V538-V542 HydrophobicContact CG1-CG2 4.3Å; V538-V542 VanDerWaalsContact O-CG2 3.29Å; V538-V542 WeakPolarHBondContact O-CG2 3.13Å; V538-V542 PolarHBondContact O-N 3.15Å; G539-V542 PolarHBondContact O-N 2.95Å; V542-R546 WeakPolarHBondContact O-CB 3.35Å; V542-R546 PolarHBondContact O-N 2.88Å; V542-V553 HydrophobicContact CG1-CG1 4.41Å; V542-V553 HydrophobicContact CG2-CG1 4.11Å; V542-F558 HydrophobicContact CG2-CD2 3.67Å; V542-F558 HydrophobicContact CG2-CE2 3.84Å; V542-F558 HydrophobicContact CG2-CG 4.31Å
543F94.9Very high90.5Very high66 Ų6629.6 Ų29.629%0.28915%0.147SC..Hα-helixtrans-65.1-48.4-179.3-86.3-120.8000111.9L156 G159 L160 G539 S540 A547L156-F543 HydrophobicContact CD1-CE1 4.47Å; L156-F543 HydrophobicContact CD1-CZ 3.84Å; G159-F543 VanDerWaalsContact C-CD1 3.45Å; G159-F543 WeakPolarHBondContact O-CD1 3.43Å; L160-F543 HydrophobicContact CD2-CE1 3.92Å; L160-F543 HydrophobicContact CG-CE1 4.22Å; G539-F543 WeakPolarHBondContact O-CD2 3.41Å; G539-F543 PolarHBondContact O-N 3.4Å; G539-F543 VanDerWaalsContact O-N 3.11Å; S540-F543 PolarHBondContact O-N 3.46Å; F543-A547 WeakPolarHBondContact O-CB 3.44Å; F543-A547 PolarHBondContact O-N 3.4Å
544V93.4Very high90.3Very high1 Ų132.9 Ų32.91%0.00616%0.164CC..Hα-helixtrans-68.7-42.6179.3174.40000111F166 C512 I513 S540 R546 A547 R548F166-V544 HydrophobicContact CB-CG2 4.5Å; F166-V544 HydrophobicContact CD2-CG1 4.17Å; C512-V544 HydrophobicContact CB-CG2 4.18Å; I513-V544 HydrophobicContact CD1-CB 4.06Å; I513-V544 HydrophobicContact CD1-CG1 4.1Å; I513-V544 HydrophobicContact CG1-CB 3.68Å; I513-V544 HydrophobicContact CG1-CG1 3.99Å; I513-V544 HydrophobicContact CG1-CG2 3.77Å; S540-V544 WeakPolarHBondContact O-CB 3.37Å; S540-V544 WeakPolarHBondContact O-CG2 3.45Å; S540-V544 PolarHBondContact O-N 3.48Å; V544-R546 VanDerWaalsContact C-N 3.33Å; V544-R546 PolarHBondContact O-N 3.48Å; V544-A547 PolarHBondContact O-N 2.9Å; V544-R548 WeakPolarHBondContact O-CB 3.29Å; V544-R548 PolarHBondContact O-N 2.88Å
545G91Very high90.2Very high2 Ų239.7 Ų39.72%0.02119%0.19CC..Hα-helixtrans-55.4-49.2176.200000111.3V541 A547 R548 S549 N552V541-G545 WeakPolarHBondContact O-CA 3.44Å; V541-G545 PolarHBondContact O-N 2.9Å; G545-A547 VanDerWaalsContact C-N 3.34Å; G545-A547 PolarHBondContact O-N 3.2Å; G545-R548 PolarHBondContact O-N 3.48Å; G545-S549 PolarHBondContact O-N 3.38Å; G545-S549 VanDerWaalsContact O-N 3.09Å; G545-N552 WeakPolarHBondContact O-CB 3.32Å
546R91.7Very high90.1Very high111 Ų11140.9 Ų40.942%0.41920%0.204SC..Hα-helixtrans-68.4-28.9179-173.957.3179.569.93.2114V542 V544 S549 V553V542-R546 WeakPolarHBondContact O-CB 3.35Å; V542-R546 PolarHBondContact O-N 2.88Å; V544-R546 VanDerWaalsContact C-N 3.33Å; V544-R546 PolarHBondContact O-N 3.48Å; R546-S549 WeakPolarHBondContact CA-O 3.48Å; R546-V553 HydrophobicContact CB-CG2 4.32Å
547A90.9Very high89.6Confident25 Ų2542.8 Ų42.821%0.20721%0.214CC..Hα-helixtrans-75.6-27.9174.500000112.8I163 F166 F543 V544 G545I163-A547 HydrophobicContact CD1-CB 3.94Å; I163-A547 HydrophobicContact CG1-CB 3.92Å; F166-A547 HydrophobicContact CD1-CB 3.94Å; F166-A547 HydrophobicContact CE1-CB 3.89Å; F543-A547 WeakPolarHBondContact O-CB 3.44Å; F543-A547 PolarHBondContact O-N 3.4Å; V544-A547 PolarHBondContact O-N 2.9Å; G545-A547 VanDerWaalsContact C-N 3.34Å; G545-A547 PolarHBondContact O-N 3.2Å
548R85.8Confident89.4Confident27 Ų2744.6 Ų44.610%0.10222%0.222CC..Hα-helixtrans-76.8-50.3177.5-164.367160.1157.42.7111.5S415 V416 K417 D418 V544 G545S415-R548 WeakPolarHBondContact O-CD 3.41Å; S415-R548 WeakPolarHBondContact O-CG 3.42Å; S415-R548 PolarHBondContact O-NE 3.45Å; V416-R548 PolarHBondContact O-NE 3.22Å; V416-R548 PolarHBondContact O-NH2 2.86Å; K417-R548 PolarHBondContact O-NH2 3.38Å; D418-R548 IonicContact OD1-CZ 3.68Å; D418-R548 IonicContact OD1-NH2 3.08Å; D418-R548 PolarHBondContact OD1-NH2 2.89Å; V544-R548 WeakPolarHBondContact O-CB 3.29Å; V544-R548 PolarHBondContact O-N 2.88Å; G545-R548 PolarHBondContact O-N 3.48Å
549S84.6Confident89.5Confident34 Ų3452 Ų5224%0.23825%0.25CS..  trans-151.9149.5172.7168.40000110.6G545 R546 D551 N552G545-S549 PolarHBondContact O-N 3.38Å; G545-S549 VanDerWaalsContact O-N 3.09Å; R546-S549 WeakPolarHBondContact CA-O 3.48Å; S549-D551 PolarHBondContact O-N 2.89Å; S549-N552 PolarHBondContact O-N 3.43Å
550K80.1Confident89.2Confident145 Ų14555.7 Ų55.763%0.6327%0.268SS*.THydrogen-bonded Turntrans-60.2-34.5-178.3-68.9-172.5177.2176.40112.3
551D80.7Confident88.7Confident147 Ų14756 Ų5679%0.78627%0.269SS*.THydrogen-bonded Turntrans-102.69.1-172.1-52.5-45.2000113.1S549 V553S549-D551 PolarHBondContact O-N 2.89Å; D551-V553 VanDerWaalsContact C-N 3.32Å; D551-V553 PolarHBondContact O-N 2.88Å
552N84.5Confident88.7Confident18 Ų1859 Ų5910%0.09629%0.285CS..  trans-78.6-13.2-173.8-158.428.3000113.7T503 K504 G545 S549T503-N552 VanDerWaalsContact CA-O 3.27Å; T503-N552 WeakPolarHBondContact CA-O 3.25Å; T503-N552 WeakPolarHBondContact CB-O 3.14Å; T503-N552 PolarHBondContact OG1-ND2 3.39Å; T503-N552 PolarHBondContact OG1-O 3.14Å; T503-N552 PolarHBondContact OG1-OD1 3.36Å; K504-N552 PolarHBondContact N-OD1 2.92Å; K504-N552 PolarHBondContact O-ND2 2.94Å; G545-N552 WeakPolarHBondContact O-CB 3.32Å; S549-N552 PolarHBondContact O-N 3.43Å
553V87.3Confident88.7Confident8 Ų862.6 Ų62.65%0.04830%0.303CS..BIsolated β-bridgetrans-102.7126.3-177.3179.70000110V542 R546 D551 W555V542-V553 HydrophobicContact CG1-CG1 4.41Å; V542-V553 HydrophobicContact CG2-CG1 4.11Å; R546-V553 HydrophobicContact CB-CG2 4.32Å; D551-V553 VanDerWaalsContact C-N 3.32Å; D551-V553 PolarHBondContact O-N 2.88Å; V553-W555 PolarHBondContact O-N 2.91Å
554N89.1Confident88.4Confident73 Ų7360 Ų6039%0.3929%0.293SS..  trans-78.899.5173.1-170.6-33.6000111.1L502 G556 I557 F558L502-N554 PolarHBondContact O-N 2.93Å; N554-G556 VanDerWaalsContact C-N 3.3Å; N554-G556 PolarHBondContact O-N 2.81Å; N554-G556 PolarHBondContact OD1-N 3.09Å; N554-G556 VanDerWaalsContact OD1-N 3.07Å; N554-I557 HydrophobicContact CB-CB 4.25Å; N554-I557 HydrophobicContact CB-CD1 4.04Å; N554-I557 HydrophobicContact CB-CG1 4.26Å; N554-I557 VanDerWaalsContact ND2-CD1 3.34Å; N554-I557 WeakPolarHBondContact ND2-CD1 3.19Å; N554-I557 PolarHBondContact O-N 2.61Å; N554-I557 PolarHBondContact OD1-N 3.22Å; N554-I557 VanDerWaalsContact OD1-N 3.15Å; N554-F558 PolarHBondContact O-N 2.93Å
555W92.4Very high88.2Confident143 Ų14361.2 Ų61.254%0.54230%0.298SS..Hα-helixtrans-65.5-27.5-179.2-67.5104.8000114.3V553 F558 R559V553-W555 PolarHBondContact O-N 2.91Å; W555-F558 AromaticContact CE3-CD1 3.81Å; W555-F558 HydrophobicContact CE3-CD1 3.81Å; W555-F558 HydrophobicContact CE3-CE1 4.46Å; W555-F558 AromaticContact CZ3-CD1 3.85Å; W555-F558 HydrophobicContact CZ3-CD1 3.85Å; W555-F558 HydrophobicContact CZ3-CE1 4.07Å; W555-R559 WeakPolarHBondContact O-CB 3.19Å; W555-R559 PolarHBondContact O-N 3.18Å
556G90.7Very high88.3Confident31 Ų3167.5 Ų67.532%0.3233%0.33SS..Hα-helixtrans-67.3-46175.800000111.8N554 R559 N560N554-G556 VanDerWaalsContact C-N 3.3Å; N554-G556 PolarHBondContact O-N 2.81Å; N554-G556 PolarHBondContact OD1-N 3.09Å; N554-G556 VanDerWaalsContact OD1-N 3.07Å; G556-R559 PolarHBondContact O-N 3.02Å; G556-N560 VanDerWaalsContact O-CG 3.31Å; G556-N560 PolarHBondContact O-N 3.06Å; G556-N560 VanDerWaalsContact O-N 3.14Å; G556-N560 PolarHBondContact O-OD1 2.97Å
557I85.6Confident88.5Confident40 Ų4065.3 Ų65.321%0.20533%0.329CS..Hα-helixtrans-65.5-45.7175.3-64.6175.1000110.2D501 L502 N554 R559 N560 I561D501-I557 HydrophobicContact CB-CD1 3.78Å; D501-I557 VanDerWaalsContact O-CD1 3.28Å; D501-I557 WeakPolarHBondContact O-CD1 3.31Å; L502-I557 HydrophobicContact CD1-CB 4.38Å; L502-I557 HydrophobicContact CD1-CG2 4.09Å; N554-I557 HydrophobicContact CB-CB 4.25Å; N554-I557 HydrophobicContact CB-CD1 4.04Å; N554-I557 HydrophobicContact CB-CG1 4.26Å; N554-I557 VanDerWaalsContact ND2-CD1 3.34Å; N554-I557 WeakPolarHBondContact ND2-CD1 3.19Å; N554-I557 PolarHBondContact O-N 2.61Å; N554-I557 PolarHBondContact OD1-N 3.22Å; N554-I557 VanDerWaalsContact OD1-N 3.15Å; I557-R559 VanDerWaalsContact C-N 3.3Å; I557-R559 PolarHBondContact O-N 3.41Å; I557-N560 PolarHBondContact O-N 3.29Å; I557-N560 VanDerWaalsContact O-N 3.07Å; I557-I561 HydrophobicContact CG2-CD1 3.91Å; I557-I561 HydrophobicContact CG2-CG1 4.33Å; I557-I561 WeakPolarHBondContact O-CG1 3.33Å; I557-I561 PolarHBondContact O-N 3.25Å
558F89.7Confident88.7Confident42 Ų4264.1 Ų64.118%0.18432%0.319CS..Hα-helixtrans-56.5-43.8177.5179.7-114.9000112.3L502 V538 V542 N554 W555 N560 I561 L562L502-F558 HydrophobicContact CD1-CB 4.26Å; V538-F558 HydrophobicContact CG1-CD2 3.83Å; V538-F558 HydrophobicContact CG1-CE2 3.79Å; V542-F558 HydrophobicContact CG2-CD2 3.67Å; V542-F558 HydrophobicContact CG2-CE2 3.84Å; V542-F558 HydrophobicContact CG2-CG 4.31Å; N554-F558 PolarHBondContact O-N 2.93Å; W555-F558 AromaticContact CE3-CD1 3.81Å; W555-F558 HydrophobicContact CE3-CD1 3.81Å; W555-F558 HydrophobicContact CE3-CE1 4.46Å; W555-F558 AromaticContact CZ3-CD1 3.85Å; W555-F558 HydrophobicContact CZ3-CD1 3.85Å; W555-F558 HydrophobicContact CZ3-CE1 4.07Å; F558-N560 PolarHBondContact O-N 2.94Å; F558-I561 WeakPolarHBondContact O-CB 3.5Å; F558-I561 PolarHBondContact O-N 3.09Å; F558-L562 HydrophobicContact CD1-CD1 4.24Å; F558-L562 HydrophobicContact CE1-CD1 3.7Å; F558-L562 HydrophobicContact CE1-CG 4.24Å; F558-L562 HydrophobicContact CE2-CD2 4.23Å; F558-L562 HydrophobicContact CE2-CG 4.33Å; F558-L562 HydrophobicContact CZ-CD1 3.92Å; F558-L562 HydrophobicContact CZ-CD2 4.03Å; F558-L562 HydrophobicContact CZ-CG 4.09Å; F558-L562 WeakPolarHBondContact O-CG 3.49Å; F558-L562 PolarHBondContact O-N 3.44Å
559R92.7Very high89.2Confident156 Ų15665 Ų6559%0.58933%0.326SS*.Hα-helixtrans-59.3-45174.4-177-171.267-165.7-0.7112W555 G556 I557 I561 L562 I563W555-R559 WeakPolarHBondContact O-CB 3.19Å; W555-R559 PolarHBondContact O-N 3.18Å; G556-R559 PolarHBondContact O-N 3.02Å; I557-R559 VanDerWaalsContact C-N 3.3Å; I557-R559 PolarHBondContact O-N 3.41Å; R559-I561 VanDerWaalsContact C-N 3.29Å; R559-I561 PolarHBondContact O-N 3.38Å; R559-L562 PolarHBondContact O-N 2.94Å; R559-I563 HydrophobicContact CG-CD1 4.23Å; R559-I563 WeakPolarHBondContact O-CG1 3.47Å; R559-I563 PolarHBondContact O-N 3.14Å
560N88.9Confident89.8Confident85 Ų8566.9 Ų66.946%0.45534%0.337SS..Hα-helixtrans-63.3-37.4179.1-66.6-6.2000111.7G556 I557 F558 I563 A564G556-N560 VanDerWaalsContact O-CG 3.31Å; G556-N560 PolarHBondContact O-N 3.06Å; G556-N560 VanDerWaalsContact O-N 3.14Å; G556-N560 PolarHBondContact O-OD1 2.97Å; I557-N560 PolarHBondContact O-N 3.29Å; I557-N560 VanDerWaalsContact O-N 3.07Å; F558-N560 PolarHBondContact O-N 2.94Å; N560-I563 PolarHBondContact O-N 3.15Å; N560-A564 PolarHBondContact O-N 2.93Å
561I85.5Confident90.6Very high6 Ų661 Ų613%0.03132%0.316CS..Hα-helixtrans-61.2-47173.6-67.7173.4000110.6P115 L502 V538 I557 F558 R559 I563 A564 W565P115-I561 HydrophobicContact CG-CD1 4.24Å; P115-I561 HydrophobicContact CG-CG1 3.96Å; L502-I561 HydrophobicContact CD1-CD1 4.44Å; L502-I561 HydrophobicContact CD2-CD1 4.34Å; V538-I561 HydrophobicContact CG1-CG2 4.27Å; V538-I561 HydrophobicContact CG2-CD1 4.2Å; V538-I561 HydrophobicContact CG2-CG2 4.19Å; I557-I561 HydrophobicContact CG2-CD1 3.91Å; I557-I561 HydrophobicContact CG2-CG1 4.33Å; I557-I561 WeakPolarHBondContact O-CG1 3.33Å; I557-I561 PolarHBondContact O-N 3.25Å; F558-I561 WeakPolarHBondContact O-CB 3.5Å; F558-I561 PolarHBondContact O-N 3.09Å; R559-I561 VanDerWaalsContact C-N 3.29Å; R559-I561 PolarHBondContact O-N 3.38Å; I561-I563 VanDerWaalsContact C-N 3.31Å; I561-I563 PolarHBondContact O-N 3.41Å; I561-A564 WeakPolarHBondContact O-CB 3.48Å; I561-A564 PolarHBondContact O-N 3.1Å; I561-A564 VanDerWaalsContact O-N 3.14Å; I561-W565 HydrophobicContact CG2-CD2 4.18Å; I561-W565 HydrophobicContact CG2-CH2 4.36Å; I561-W565 HydrophobicContact CG2-CZ2 3.41Å; I561-W565 VanDerWaalsContact CG2-CZ2 3.41Å; I561-W565 VanDerWaalsContact O-CG 3.26Å; I561-W565 PolarHBondContact O-N 3.37Å
562L91.4Very high91.5Very high65 Ų6554 Ų5434%0.3428%0.278SS..Hα-helixtrans-60-40.3177.3-67.5-179.5000112.6F558 R559 W565 L566F558-L562 HydrophobicContact CD1-CD1 4.24Å; F558-L562 HydrophobicContact CE1-CD1 3.7Å; F558-L562 HydrophobicContact CE1-CG 4.24Å; F558-L562 HydrophobicContact CE2-CD2 4.23Å; F558-L562 HydrophobicContact CE2-CG 4.33Å; F558-L562 HydrophobicContact CZ-CD1 3.92Å; F558-L562 HydrophobicContact CZ-CD2 4.03Å; F558-L562 HydrophobicContact CZ-CG 4.09Å; F558-L562 WeakPolarHBondContact O-CG 3.49Å; F558-L562 PolarHBondContact O-N 3.44Å; R559-L562 PolarHBondContact O-N 2.94Å; L562-W565 HydrophobicContact CD2-CD2 4.36Å; L562-W565 HydrophobicContact CD2-CE3 3.52Å; L562-W565 HydrophobicContact CD2-CH2 4.27Å; L562-W565 HydrophobicContact CD2-CZ3 3.48Å; L562-W565 VanDerWaalsContact CD2-CZ3 3.48Å; L562-W565 WeakPolarHBondContact O-CB 3.41Å; L562-W565 PolarHBondContact O-N 2.98Å; L562-L566 PolarHBondContact O-N 2.87Å
563I92.7Very high92.1Very high90 Ų9053.6 Ų53.646%0.46228%0.278SS..Hα-helixtrans-62.6-45175.5-66.3166.9000110.1R559 N560 I561 W565 L566 V567R559-I563 HydrophobicContact CG-CD1 4.23Å; R559-I563 WeakPolarHBondContact O-CG1 3.47Å; R559-I563 PolarHBondContact O-N 3.14Å; N560-I563 PolarHBondContact O-N 3.15Å; I561-I563 VanDerWaalsContact C-N 3.31Å; I561-I563 PolarHBondContact O-N 3.41Å; I563-W565 VanDerWaalsContact C-N 3.27Å; I563-W565 PolarHBondContact O-N 3.4Å; I563-L566 PolarHBondContact O-N 3.4Å; I563-V567 HydrophobicContact CG2-CG2 4.3Å; I563-V567 WeakPolarHBondContact O-CG2 3.47Å; I563-V567 PolarHBondContact O-N 3.2Å
564A88.7Confident92.6Very high11 Ų1156.2 Ų56.29%0.09130%0.3CS..Hα-helixtrans-60.1-36.9177.900000112.3V116 N560 I561 V567 T568V116-A564 HydrophobicContact CG1-CB 4.22Å; N560-A564 PolarHBondContact O-N 2.93Å; I561-A564 WeakPolarHBondContact O-CB 3.48Å; I561-A564 PolarHBondContact O-N 3.1Å; I561-A564 VanDerWaalsContact O-N 3.14Å; A564-V567 PolarHBondContact O-N 3.47Å; A564-T568 WeakPolarHBondContact O-CB 3.17Å; A564-T568 PolarHBondContact O-N 3.25Å; A564-T568 PolarHBondContact O-OG1 2.91Å
565W89.4Confident93.1Very high27 Ų2754.7 Ų54.710%0.10229%0.292CS..Hα-helixtrans-64.1-41.2176.3-61.4-8000112.8H535 V538 I561 L562 I563H535-W565 HydrophobicContact CB-CH2 3.91Å; H535-W565 HydrophobicContact CB-CZ2 4.08Å; H535-W565 HydrophobicContact CB-CZ3 4.28Å; H535-W565 AromaticContact CD2-CD1 3.73Å; H535-W565 AromaticContact CD2-CD2 3.29Å; H535-W565 AromaticContact CD2-CE2 3.01Å; H535-W565 AromaticContact CD2-CE3 3.78Å; H535-W565 AromaticContact CD2-CG 3.75Å; H535-W565 AromaticContact CD2-CH2 3.83Å; H535-W565 AromaticContact CD2-CZ2 3.33Å; H535-W565 WeakPolarHBondContact CD2-CZ2 3.24Å; H535-W565 AromaticContact CD2-NE1 3.31Å; H535-W565 PolarHBondContact CD2-NE1 3Å; H535-W565 VanDerWaalsContact CD2-NE1 3.31Å; H535-W565 AromaticContact CE1-CD2 3.48Å; H535-W565 VanDerWaalsContact CE1-CD2 3.48Å; H535-W565 AromaticContact CE1-CE3 3.56Å; H535-W565 AromaticContact CE1-CG 3.68Å; H535-W565 AromaticContact CG-CD2 3.9Å; H535-W565 AromaticContact CG-CE2 3.79Å; H535-W565 AromaticContact CG-CE3 3.9Å; H535-W565 AromaticContact CG-CH2 3.76Å; H535-W565 AromaticContact CG-CZ2 3.74Å; H535-W565 AromaticContact CG-CZ3 3.83Å; H535-W565 AromaticContact ND1-CE3 3.78Å; H535-W565 AromaticContact ND1-CZ3 3.96Å; H535-W565 AromaticContact NE2-CD1 3.29Å; H535-W565 VanDerWaalsContact NE2-CD1 3.29Å; H535-W565 AromaticContact NE2-CD2 3.07Å; H535-W565 AromaticContact NE2-CE2 3.31Å; H535-W565 VanDerWaalsContact NE2-CE2 3.31Å; H535-W565 AromaticContact NE2-CE3 3.64Å; H535-W565 AromaticContact NE2-CG 3.08Å; H535-W565 AromaticContact NE2-NE1 3.42Å; H535-W565 PolarHBondContact NE2-NE1 2.62Å; V538-W565 HydrophobicContact CB-CH2 4.05Å; V538-W565 HydrophobicContact CB-CZ2 3.81Å; V538-W565 HydrophobicContact CG1-CH2 3.92Å; V538-W565 HydrophobicContact CG1-CZ2 3.91Å; V538-W565 HydrophobicContact CG2-CZ2 4.05Å; I561-W565 HydrophobicContact CG2-CD2 4.18Å; I561-W565 HydrophobicContact CG2-CH2 4.36Å; I561-W565 HydrophobicContact CG2-CZ2 3.41Å; I561-W565 VanDerWaalsContact CG2-CZ2 3.41Å; I561-W565 VanDerWaalsContact O-CG 3.26Å; I561-W565 PolarHBondContact O-N 3.37Å; L562-W565 HydrophobicContact CD2-CD2 4.36Å; L562-W565 HydrophobicContact CD2-CE3 3.52Å; L562-W565 HydrophobicContact CD2-CH2 4.27Å; L562-W565 HydrophobicContact CD2-CZ3 3.48Å; L562-W565 VanDerWaalsContact CD2-CZ3 3.48Å; L562-W565 WeakPolarHBondContact O-CB 3.41Å; L562-W565 PolarHBondContact O-N 2.98Å; I563-W565 VanDerWaalsContact C-N 3.27Å; I563-W565 PolarHBondContact O-N 3.4Å
566L93Very high93.4Very high133 Ų13347.9 Ų47.970%0.69627%0.266SS*.Hα-helixtrans-68.8-38.7177.9-69.7175.3000112.3L562 I563 P570L562-L566 PolarHBondContact O-N 2.87Å; I563-L566 PolarHBondContact O-N 3.4Å; L566-P570 WeakPolarHBondContact O-CD 3.44Å; L566-P570 WeakPolarHBondContact O-CG 3.43Å
567V95Very high93.7Very high65 Ų6547.7 Ų47.739%0.39426%0.261SS..Hα-helixtrans-75.1-30.4-178.6175.40000112.2W105 I563 A564 L569 P570 A571W105-V567 HydrophobicContact CH2-CG1 3.59Å; W105-V567 HydrophobicContact CZ2-CG1 3.82Å; I563-V567 HydrophobicContact CG2-CG2 4.3Å; I563-V567 WeakPolarHBondContact O-CG2 3.47Å; I563-V567 PolarHBondContact O-N 3.2Å; A564-V567 PolarHBondContact O-N 3.47Å; V567-L569 PolarHBondContact O-N 2.81Å; V567-P570 VanDerWaalsContact O-CD 3.24Å; V567-P570 WeakPolarHBondContact O-CD 3.18Å; V567-P570 WeakPolarHBondContact O-CG 3.49Å; V567-A571 HydrophobicContact CG1-CB 4.29Å; V567-A571 WeakPolarHBondContact O-CB 3.11Å; V567-A571 PolarHBondContact O-N 2.75Å
568T95.8Very high94.3Very high0 Ų050.9 Ų50.90%028%0.278CS..Hα-helixtrans-58.6-45.9-171.9-71.10000113.8W105 H120 A564 A572W105-T568 PolarHBondContact NE1-OG1 2.96Å; W105-T568 VanDerWaalsContact NE1-OG1 3.16Å; H120-T568 HydrophobicContact CB-CG2 3.73Å; A564-T568 WeakPolarHBondContact O-CB 3.17Å; A564-T568 PolarHBondContact O-N 3.25Å; A564-T568 PolarHBondContact O-OG1 2.91Å; T568-A572 WeakPolarHBondContact O-CB 3.48Å; T568-A572 PolarHBondContact O-N 2.95Å
569L95.3Very high94.7Very high46 Ų4650.8 Ų50.824%0.24128%0.279CS..Hα-helixtrans-65.1-54.6-178.4-175.4159.5000113.1M127 W151 V567 A571 G573M127-L569 HydrophobicContact CE-CD1 3.94Å; M127-L569 HydrophobicContact CE-CD2 3.7Å; M127-L569 HydrophobicContact CE-CG 3.97Å; W151-L569 HydrophobicContact CH2-CD1 3.58Å; W151-L569 HydrophobicContact CZ3-CD1 3.4Å; W151-L569 VanDerWaalsContact CZ3-CD1 3.4Å; V567-L569 PolarHBondContact O-N 2.81Å; L569-A571 VanDerWaalsContact C-N 3.33Å; L569-A571 PolarHBondContact O-N 3.44Å; L569-G573 PolarHBondContact O-N 3.22Å
570P97.2Very high95Very high74 Ų7443.3 Ų43.348%0.48125%0.251SS..Hα-helixtrans-65.6-35.3179.224.1-33.4000112.5L566 V567 A574L566-P570 WeakPolarHBondContact O-CD 3.44Å; L566-P570 WeakPolarHBondContact O-CG 3.43Å; V567-P570 VanDerWaalsContact O-CD 3.24Å; V567-P570 WeakPolarHBondContact O-CD 3.18Å; V567-P570 WeakPolarHBondContact O-CG 3.49Å; P570-A574 VanDerWaalsContact O-CB 3.25Å; P570-A574 WeakPolarHBondContact O-CB 3.21Å; P570-A574 PolarHBondContact O-N 3.41Å
571A97.7Very high95.4Very high21 Ų2145.5 Ų45.517%0.17425%0.254CS..Hα-helixtrans-65.5-51178.700000111.9W105 V567 L569 G573 A574 I575W105-A571 HydrophobicContact CD2-CB 3.7Å; W105-A571 HydrophobicContact CE3-CB 3.42Å; W105-A571 VanDerWaalsContact CE3-CB 3.42Å; W105-A571 HydrophobicContact CH2-CB 3.74Å; W105-A571 HydrophobicContact CZ2-CB 4Å; W105-A571 HydrophobicContact CZ3-CB 3.45Å; W105-A571 VanDerWaalsContact CZ3-CB 3.45Å; V567-A571 HydrophobicContact CG1-CB 4.29Å; V567-A571 WeakPolarHBondContact O-CB 3.11Å; V567-A571 PolarHBondContact O-N 2.75Å; L569-A571 VanDerWaalsContact C-N 3.33Å; L569-A571 PolarHBondContact O-N 3.44Å; A571-G573 VanDerWaalsContact C-N 3.33Å; A571-G573 PolarHBondContact O-N 3.36Å; A571-A574 PolarHBondContact O-N 2.83Å; A571-I575 WeakPolarHBondContact O-CD1 3.48Å; A571-I575 VanDerWaalsContact O-CG1 3.27Å; A571-I575 WeakPolarHBondContact O-CG1 3.15Å; A571-I575 PolarHBondContact O-N 2.82Å; A571-I575 VanDerWaalsContact O-N 3.09Å
572A98.3Very high95.9Very high0 Ų049.2 Ų49.20%027%0.273CS..Hα-helixtrans-64.4-38.3177.300000112.1W105 S121 A125 T568 I575 S576W105-A572 HydrophobicContact CB-CB 4.05Å; W105-A572 HydrophobicContact CG-CB 4.27Å; S121-A572 VanDerWaalsContact O-CB 3.23Å; S121-A572 WeakPolarHBondContact O-CB 3.24Å; S121-A572 WeakPolarHBondContact OG-CB 3.36Å; A125-A572 HydrophobicContact CB-CB 4.47Å; T568-A572 WeakPolarHBondContact O-CB 3.48Å; T568-A572 PolarHBondContact O-N 2.95Å; A572-I575 PolarHBondContact O-N 3.48Å; A572-S576 WeakPolarHBondContact O-CB 3.42Å; A572-S576 PolarHBondContact O-N 3Å
573G98.1Very high96.1Very high9 Ų947.6 Ų47.69%0.09326%0.263CS..Hα-helixtrans-61.4-45.7174.100000113.3G124 G128 L569 A571 S576 A577G124-G573 VanDerWaalsContact C-CA 3.49Å; G124-G573 WeakPolarHBondContact O-CA 3.39Å; G128-G573 WeakPolarHBondContact CA-O 3.23Å; L569-G573 PolarHBondContact O-N 3.22Å; A571-G573 VanDerWaalsContact C-N 3.33Å; A571-G573 PolarHBondContact O-N 3.36Å; G573-S576 PolarHBondContact O-N 3.46Å; G573-A577 WeakPolarHBondContact O-CB 3.45Å; G573-A577 PolarHBondContact O-N 3.4Å
574A98.4Very high96.1Very high63 Ų6345.8 Ų45.852%0.52126%0.257SS..Hα-helixtrans-64.3-42178.300000112.2P570 A571 A577 L578P570-A574 VanDerWaalsContact O-CB 3.25Å; P570-A574 WeakPolarHBondContact O-CB 3.21Å; P570-A574 PolarHBondContact O-N 3.41Å; A571-A574 PolarHBondContact O-N 2.83Å; A574-A577 PolarHBondContact O-N 2.7Å; A574-L578 WeakPolarHBondContact O-CB 3.32Å; A574-L578 PolarHBondContact O-N 2.76Å
575I98.4Very high96.2Very high42 Ų4252.3 Ų52.322%0.21528%0.283CS..Hα-helixtrans-64-44.9176.5-60.6162.1000110.1I104 W105 A571 A572 A577 L578 L579I104-I575 HydrophobicContact CB-CD1 4.47Å; I104-I575 HydrophobicContact CB-CG2 4.27Å; I104-I575 HydrophobicContact CD1-CG2 3.79Å; I104-I575 HydrophobicContact CG2-CD1 4.04Å; I104-I575 HydrophobicContact CG2-CG2 4.4Å; W105-I575 HydrophobicContact CB-CD1 4.24Å; A571-I575 WeakPolarHBondContact O-CD1 3.48Å; A571-I575 VanDerWaalsContact O-CG1 3.27Å; A571-I575 WeakPolarHBondContact O-CG1 3.15Å; A571-I575 PolarHBondContact O-N 2.82Å; A571-I575 VanDerWaalsContact O-N 3.09Å; A572-I575 PolarHBondContact O-N 3.48Å; I575-A577 PolarHBondContact O-N 3.03Å; I575-L578 PolarHBondContact O-N 3.26Å; I575-L579 HydrophobicContact CG2-CD1 4.28Å; I575-L579 WeakPolarHBondContact O-CG 3.39Å; I575-L579 PolarHBondContact O-N 3.11Å
576S98.6Very high96.1Very high0 Ų055.8 Ų55.80%031%0.307CS..Hα-helixtrans-65.1-37.6177.2-172.80000112.9A97 A98 A125 A572 G573 L579 M580A97-S576 PolarHBondContact O-OG 2.86Å; A97-S576 VanDerWaalsContact O-OG 3.1Å; A98-S576 WeakPolarHBondContact CA-OG 3.45Å; A98-S576 PolarHBondContact N-OG 2.89Å; A125-S576 WeakPolarHBondContact O-CB 3.35Å; A125-S576 PolarHBondContact O-OG 2.88Å; A572-S576 WeakPolarHBondContact O-CB 3.42Å; A572-S576 PolarHBondContact O-N 3Å; G573-S576 PolarHBondContact O-N 3.46Å; S576-L579 PolarHBondContact O-N 3.31Å; S576-M580 WeakPolarHBondContact O-CB 3.29Å; S576-M580 PolarHBondContact O-N 3.06Å
577A98.3Very high95.7Very high26 Ų2653 Ų5322%0.21530%0.296CS..Hα-helixtrans-63.4-43.417500000110.7G128 V132 G573 A574 I575 M580 Y581G128-A577 WeakPolarHBondContact O-CB 3.37Å; V132-A577 HydrophobicContact CG2-CB 3.73Å; V132-A577 WeakPolarHBondContact CG2-O 3.04Å; G573-A577 WeakPolarHBondContact O-CB 3.45Å; G573-A577 PolarHBondContact O-N 3.4Å; A574-A577 PolarHBondContact O-N 2.7Å; I575-A577 PolarHBondContact O-N 3.03Å; A577-M580 PolarHBondContact O-N 3.18Å; A577-Y581 WeakPolarHBondContact O-CB 3.41Å; A577-Y581 PolarHBondContact O-N 2.86Å
578L98.2Very high95.8Very high107 Ų10752.4 Ų52.456%0.5629%0.291SS*.Hα-helixtrans-62-46.1175.6179.462.2000112A574 I575 M580 Y581 I582A574-L578 WeakPolarHBondContact O-CB 3.32Å; A574-L578 PolarHBondContact O-N 2.76Å; I575-L578 PolarHBondContact O-N 3.26Å; L578-M580 VanDerWaalsContact C-N 3.34Å; L578-M580 PolarHBondContact O-N 3.05Å; L578-Y581 PolarHBondContact O-N 3.46Å; L578-I582 HydrophobicContact CD1-CD1 4.36Å; L578-I582 HydrophobicContact CG-CD1 4.22Å; L578-I582 WeakPolarHBondContact O-CG1 3.41Å; L578-I582 PolarHBondContact O-N 3.14Å
579L98.2Very high95.8Very high40 Ų4055.2 Ų55.221%0.20931%0.306CS..Hα-helixtrans-61-43.8176.3-71.4174.2000111.7A97 I104 I575 S576 I582 F583A97-L579 HydrophobicContact CB-CB 3.98Å; I104-L579 HydrophobicContact CD1-CD1 4.31Å; I575-L579 HydrophobicContact CG2-CD1 4.28Å; I575-L579 WeakPolarHBondContact O-CG 3.39Å; I575-L579 PolarHBondContact O-N 3.11Å; S576-L579 PolarHBondContact O-N 3.31Å; L579-I582 PolarHBondContact O-N 3.22Å; L579-F583 WeakPolarHBondContact O-CG 3.34Å; L579-F583 PolarHBondContact O-N 2.91Å
580M97.8Very high95.8Very high0 Ų055.7 Ų55.70%031%0.31CS..Hα-helixtrans-62.4-46.1177.1-174.466.1-143.600111.4L90 A93 A97 F129 V132 I133 S576 A577 L578 I582 F583 T584L90-M580 HydrophobicContact CD1-CE 3.28Å; L90-M580 HydrophobicContact CG-CE 3.76Å; A93-M580 HydrophobicContact CB-CE 4.3Å; A93-M580 HydrophobicContact CB-SD 4.5Å; A97-M580 HydrophobicContact CB-CB 4.04Å; A97-M580 HydrophobicContact CB-SD 4.42Å; F129-M580 HydrophobicContact CB-CB 3.73Å; F129-M580 HydrophobicContact CB-CG 3.81Å; F129-M580 HydrophobicContact CB-SD 4.05Å; V132-M580 HydrophobicContact CB-CB 4.34Å; V132-M580 HydrophobicContact CB-CG 4.01Å; V132-M580 HydrophobicContact CG1-CB 4.5Å; V132-M580 HydrophobicContact CG1-CG 4.1Å; V132-M580 HydrophobicContact CG2-CB 4.28Å; V132-M580 HydrophobicContact CG2-CG 4.5Å; I133-M580 HydrophobicContact CD1-CE 3.55Å; I133-M580 HydrophobicContact CD1-CG 4.35Å; I133-M580 HydrophobicContact CD1-SD 4.03Å; I133-M580 HydrophobicContact CG1-CE 3.81Å; I133-M580 HydrophobicContact CG1-CG 4.23Å; I133-M580 HydrophobicContact CG1-SD 4.47Å; S576-M580 WeakPolarHBondContact O-CB 3.29Å; S576-M580 PolarHBondContact O-N 3.06Å; A577-M580 PolarHBondContact O-N 3.18Å; L578-M580 VanDerWaalsContact C-N 3.34Å; L578-M580 PolarHBondContact O-N 3.05Å; M580-I582 VanDerWaalsContact C-N 3.27Å; M580-I582 PolarHBondContact O-N 3.24Å; M580-F583 PolarHBondContact O-N 2.99Å; M580-T584 HydrophobicContact CE-CG2 3.88Å; M580-T584 WeakPolarHBondContact O-CG2 3.37Å; M580-T584 PolarHBondContact O-N 2.93Å
581Y97.1Very high95.7Very high131 Ų13154.6 Ų54.651%0.51430%0.3SS..Hα-helixtrans-55.9-44.4176.2178.3-105.7000111.1A577 L578 F583 T584 F585A577-Y581 WeakPolarHBondContact O-CB 3.41Å; A577-Y581 PolarHBondContact O-N 2.86Å; L578-Y581 PolarHBondContact O-N 3.46Å; Y581-F583 PolarHBondContact O-N 3.01Å; Y581-T584 PolarHBondContact O-N 2.79Å; Y581-T584 PolarHBondContact O-OG1 3.18Å; Y581-F585 HydrophobicContact CD1-CE2 4Å; Y581-F585 HydrophobicContact CD2-CE2 4.36Å; Y581-F585 AromaticContact CE1-CE2 3.61Å; Y581-F585 HydrophobicContact CE1-CE2 3.61Å; Y581-F585 HydrophobicContact CE1-CZ 4.1Å; Y581-F585 AromaticContact CE2-CE2 3.98Å; Y581-F585 HydrophobicContact CE2-CE2 3.98Å; Y581-F585 HydrophobicContact CE2-CZ 4.06Å; Y581-F585 HydrophobicContact CG-CE2 4.37Å; Y581-F585 AromaticContact CZ-CE2 3.59Å; Y581-F585 AromaticContact CZ-CZ 3.66Å; Y581-F585 WeakPolarHBondContact O-CD2 3.34Å; Y581-F585 WeakPolarHBondContact O-CE2 3.27Å
582I96.8Very high95.6Very high83 Ų8356.7 Ų56.743%0.42631%0.307SS..Hα-helixtrans-61.4-44174.6-65.9164.7000111.3L578 L579 M580 T584 F585L578-I582 HydrophobicContact CD1-CD1 4.36Å; L578-I582 HydrophobicContact CG-CD1 4.22Å; L578-I582 WeakPolarHBondContact O-CG1 3.41Å; L578-I582 PolarHBondContact O-N 3.14Å; L579-I582 PolarHBondContact O-N 3.22Å; M580-I582 VanDerWaalsContact C-N 3.27Å; M580-I582 PolarHBondContact O-N 3.24Å; I582-T584 VanDerWaalsContact C-N 3.28Å; I582-T584 PolarHBondContact O-N 3.37Å; I582-F585 PolarHBondContact O-N 3.18Å; I582-F585 VanDerWaalsContact O-N 3.16Å
583F95.6Very high95.4Very high31 Ų3160.5 Ų60.514%0.13633%0.328CS..Hα-helixtrans-64.9-27.2179.6-66.6-25.8000114W9 A93 V96 A97 L579 M580 Y581 F585 V586 V587W9-F583 HydrophobicContact CH2-CD1 4.19Å; W9-F583 HydrophobicContact CH2-CE1 4.17Å; W9-F583 HydrophobicContact CZ3-CE1 4.3Å; A93-F583 HydrophobicContact CB-CB 4.1Å; A93-F583 HydrophobicContact CB-CD2 4.14Å; A93-F583 HydrophobicContact CB-CG 4.46Å; V96-F583 HydrophobicContact CB-CE2 4.1Å; V96-F583 HydrophobicContact CG1-CE2 3.85Å; V96-F583 HydrophobicContact CG1-CZ 3.97Å; A97-F583 HydrophobicContact CB-CD2 4.1Å; A97-F583 HydrophobicContact CB-CE2 4.05Å; L579-F583 WeakPolarHBondContact O-CG 3.34Å; L579-F583 PolarHBondContact O-N 2.91Å; M580-F583 PolarHBondContact O-N 2.99Å; Y581-F583 PolarHBondContact O-N 3.01Å; F583-F585 PolarHBondContact O-N 3.21Å; F583-F585 VanDerWaalsContact O-N 3.13Å; F583-V586 PolarHBondContact O-N 2.94Å; F583-V587 PolarHBondContact O-N 3.04Å
584T91.5Very high95.2Very high53 Ų5364.1 Ų64.133%0.32535%0.345SS..THydrogen-bonded Turntrans-64.4-12.5174.363.10000114.5L90 M580 Y581 I582L90-T584 HydrophobicContact CD1-CG2 4.29Å; M580-T584 HydrophobicContact CE-CG2 3.88Å; M580-T584 WeakPolarHBondContact O-CG2 3.37Å; M580-T584 PolarHBondContact O-N 2.93Å; Y581-T584 PolarHBondContact O-N 2.79Å; Y581-T584 PolarHBondContact O-OG1 3.18Å; I582-T584 VanDerWaalsContact C-N 3.28Å; I582-T584 PolarHBondContact O-N 3.37Å
585F91.3Very high94.9Very high147 Ų14764.2 Ų64.265%0.64533%0.331SS*.THydrogen-bonded Turntrans-94.4-14172.3-61.8-78.3000113.5Y581 I582 F583Y581-F585 HydrophobicContact CD1-CE2 4Å; Y581-F585 HydrophobicContact CD2-CE2 4.36Å; Y581-F585 AromaticContact CE1-CE2 3.61Å; Y581-F585 HydrophobicContact CE1-CE2 3.61Å; Y581-F585 HydrophobicContact CE1-CZ 4.1Å; Y581-F585 AromaticContact CE2-CE2 3.98Å; Y581-F585 HydrophobicContact CE2-CE2 3.98Å; Y581-F585 HydrophobicContact CE2-CZ 4.06Å; Y581-F585 HydrophobicContact CG-CE2 4.37Å; Y581-F585 AromaticContact CZ-CE2 3.59Å; Y581-F585 AromaticContact CZ-CZ 3.66Å; Y581-F585 WeakPolarHBondContact O-CD2 3.34Å; Y581-F585 WeakPolarHBondContact O-CE2 3.27Å; I582-F585 PolarHBondContact O-N 3.18Å; I582-F585 VanDerWaalsContact O-N 3.16Å; F583-F585 PolarHBondContact O-N 3.21Å; F583-F585 VanDerWaalsContact O-N 3.13Å
586V87.6Confident94.7Very high101 Ų10166.1 Ų66.161%0.61234%0.341SS*.THydrogen-bonded Turntrans-105.1-35.2-173.7-179.40000111.5W9 F583W9-V586 HydrophobicContact CZ2-CG1 4.38Å; F583-V586 PolarHBondContact O-N 2.94Å
587V85Confident94.3Very high74 Ų7472.1 Ų72.145%0.44837%0.372SS..  trans-99.40177.3178.40000108.9W9 M10 V89 A93 F583W9-V587 HydrophobicContact CZ2-CG2 3.87Å; M10-V587 HydrophobicContact SD-CG2 4.36Å; V89-V587 HydrophobicContact CB-CG1 4.02Å; V89-V587 HydrophobicContact CG1-CG1 3.38Å; A93-V587 HydrophobicContact CB-CG2 4.19Å; F583-V587 PolarHBondContact O-N 3.04Å

Retrieved 587 of 587 residues in 623.4 ms (Link to these results)

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