A0A060Y8H4_ONCMY Loading...

ER lumen protein-retaining receptor

AlphaFold DB , UniProt , Accession A0A060Y8H4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 212 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
1M76.3Confident90.2Very high142 Ų14259.2 Ų59.270%0.730%0.296SS*.  0126.20-170.268.881.700106.7R5 Y59M1-R5 HydrophobicContact SD-CB 4.25Å; M1-R5 HydrophobicContact SD-CG 3.92Å; M1-Y59 HydrophobicContact CE-CD1 4.45Å; M1-Y59 HydrophobicContact CE-CE1 4.25Å
2N89.3Confident90.5Very high19 Ų1955 Ų5510%0.10228%0.275CS..  trans-119.7170.5176.663.148.3000110.4F4 R5 L6 N165N2-F4 VanDerWaalsContact C-N 3.3Å; N2-F4 PolarHBondContact O-N 3.09Å; N2-F4 PolarHBondContact OD1-N 3.38Å; N2-R5 PolarHBondContact O-N 3.03Å; N2-R5 PolarHBondContact OD1-N 2.83Å; N2-L6 PolarHBondContact O-N 3.04Å; N2-N165 PolarHBondContact ND2-OD1 3.32Å; N2-N165 PolarHBondContact OD1-OD1 2.89Å
3I91.4Very high90.8Very high113 Ų11352.8 Ų52.858%0.57926%0.264SS*.Hα-helixtrans-62.5-34.3-174.7-167.2162.6000113.2L6 T7I3-L6 PolarHBondContact O-N 2.96Å; I3-T7 HydrophobicContact CG1-CG2 4.25Å; I3-T7 WeakPolarHBondContact O-CB 3.34Å; I3-T7 WeakPolarHBondContact O-CG2 3.4Å; I3-T7 PolarHBondContact O-N 3.37Å; I3-T7 PolarHBondContact O-OG1 3.43Å
4F91.3Very high91Very high53 Ų5351.4 Ų51.423%0.23227%0.265CS..Hα-helixtrans-68.8-42.8179.2-57.2-66.6000111.7N2 T7 G8 I164 N165 W168N2-F4 VanDerWaalsContact C-N 3.3Å; N2-F4 PolarHBondContact O-N 3.09Å; N2-F4 PolarHBondContact OD1-N 3.38Å; F4-T7 PolarHBondContact O-OG1 3.49Å; F4-G8 PolarHBondContact O-N 2.88Å; F4-I164 HydrophobicContact CD1-CB 4.25Å; F4-I164 HydrophobicContact CD1-CG2 3.59Å; F4-I164 HydrophobicContact CD2-CG2 4.02Å; F4-I164 HydrophobicContact CE1-CG2 3.62Å; F4-I164 HydrophobicContact CE2-CG2 4.05Å; F4-I164 HydrophobicContact CG-CB 4.39Å; F4-I164 HydrophobicContact CG-CG2 3.8Å; F4-I164 HydrophobicContact CZ-CG2 3.85Å; F4-N165 HydrophobicContact CB-CB 3.85Å; F4-W168 HydrophobicContact CD2-CB 4.27Å; F4-W168 HydrophobicContact CD2-CD2 4.36Å; F4-W168 HydrophobicContact CD2-CE3 4.42Å; F4-W168 HydrophobicContact CD2-CG 4.34Å; F4-W168 HydrophobicContact CE2-CB 4.43Å; F4-W168 AromaticContact CE2-CD2 3.97Å; F4-W168 HydrophobicContact CE2-CD2 3.97Å; F4-W168 AromaticContact CE2-CE3 3.61Å; F4-W168 HydrophobicContact CE2-CE3 3.61Å; F4-W168 HydrophobicContact CE2-CG 4.36Å; F4-W168 HydrophobicContact CE2-CZ3 4.16Å
5R89.2Confident91.3Very high83 Ų8347.9 Ų47.931%0.31325%0.247SC..Hα-helixtrans-64.1-45.9174.6-173.6172.1177.2177.50.8111.6M1 N2 G8 D9M1-R5 HydrophobicContact SD-CB 4.25Å; M1-R5 HydrophobicContact SD-CG 3.92Å; N2-R5 PolarHBondContact O-N 3.03Å; N2-R5 PolarHBondContact OD1-N 2.83Å; R5-G8 PolarHBondContact O-N 3.43Å; R5-D9 VanDerWaalsContact O-CG 3.26Å; R5-D9 PolarHBondContact O-N 3.43Å
6L90.3Very high91.5Very high69 Ų6946 Ų4636%0.36124%0.237SC..Hα-helixtrans-62.2-48.5179.9179.263.9000111.8N2 I3 G8 D9 L10N2-L6 PolarHBondContact O-N 3.04Å; I3-L6 PolarHBondContact O-N 2.96Å; L6-G8 VanDerWaalsContact C-N 3.32Å; L6-G8 PolarHBondContact O-N 2.64Å; L6-D9 PolarHBondContact O-N 2.87Å; L6-L10 HydrophobicContact CD1-CD1 4.45Å; L6-L10 HydrophobicContact CG-CD1 4.32Å; L6-L10 WeakPolarHBondContact O-CG 3.43Å; L6-L10 PolarHBondContact O-N 3.36Å
7T92.8Very high91.6Very high55 Ų5547.4 Ų47.434%0.33724%0.244SC..Hα-helixtrans-66.9-34.5178.150.60000111.9I3 F4 L10 S11I3-T7 HydrophobicContact CG1-CG2 4.25Å; I3-T7 WeakPolarHBondContact O-CB 3.34Å; I3-T7 WeakPolarHBondContact O-CG2 3.4Å; I3-T7 PolarHBondContact O-N 3.37Å; I3-T7 PolarHBondContact O-OG1 3.43Å; F4-T7 PolarHBondContact O-OG1 3.49Å; T7-L10 PolarHBondContact O-N 3.29Å; T7-S11 VanDerWaalsContact O-CB 3.26Å; T7-S11 WeakPolarHBondContact O-CB 3.49Å; T7-S11 PolarHBondContact O-N 2.93Å
8G93.1Very high91.8Very high0 Ų047.2 Ų47.20%024%0.243CC..Hα-helixtrans-59.4-52170.200000111.7F4 R5 L6 L10 S11 H12 Y158F4-G8 PolarHBondContact O-N 2.88Å; R5-G8 PolarHBondContact O-N 3.43Å; L6-G8 VanDerWaalsContact C-N 3.32Å; L6-G8 PolarHBondContact O-N 2.64Å; G8-L10 VanDerWaalsContact C-N 3.32Å; G8-L10 PolarHBondContact O-N 3.41Å; G8-S11 WeakPolarHBondContact O-CB 3.41Å; G8-S11 PolarHBondContact O-N 3.09Å; G8-S11 VanDerWaalsContact O-N 3.09Å; G8-H12 PolarHBondContact O-N 3.35Å; G8-Y158 VanDerWaalsContact O-CB 3.23Å; G8-Y158 WeakPolarHBondContact O-CB 3.18Å
9D91Very high91.9Very high20 Ų2044.9 Ų44.911%0.10723%0.231CC..Hα-helixtrans-59.6-42.3179.1-69-22000111.9R5 L6 H12 L13 Y67 Y162R5-D9 VanDerWaalsContact O-CG 3.26Å; R5-D9 PolarHBondContact O-N 3.43Å; L6-D9 PolarHBondContact O-N 2.87Å; D9-H12 PolarHBondContact O-N 3.38Å; D9-L13 WeakPolarHBondContact O-CB 3.09Å; D9-L13 PolarHBondContact O-N 3.11Å; D9-Y67 PolarHBondContact O-OH 3.47Å; D9-Y162 WeakPolarHBondContact OD1-CE2 3.41Å; D9-Y162 PolarHBondContact OD1-OH 2.92Å
10L92.6Very high92.1Very high88 Ų8844.5 Ų44.546%0.46123%0.229SC..Hα-helixtrans-66.2-37.2175.4-67.4174.9000112.5L6 T7 G8 L13 A14L6-L10 HydrophobicContact CD1-CD1 4.45Å; L6-L10 HydrophobicContact CG-CD1 4.32Å; L6-L10 WeakPolarHBondContact O-CG 3.43Å; L6-L10 PolarHBondContact O-N 3.36Å; T7-L10 PolarHBondContact O-N 3.29Å; G8-L10 VanDerWaalsContact C-N 3.32Å; G8-L10 PolarHBondContact O-N 3.41Å; L10-L13 PolarHBondContact O-N 2.79Å; L10-A14 WeakPolarHBondContact O-CB 3.26Å; L10-A14 PolarHBondContact O-N 3.19Å
11S94.8Very high92.2Very high9 Ų946.2 Ų46.26%0.06324%0.238CC..Hα-helixtrans-64.3-42.7175.5-171.20000111.5T7 G8 A14 A15 F154T7-S11 VanDerWaalsContact O-CB 3.26Å; T7-S11 WeakPolarHBondContact O-CB 3.49Å; T7-S11 PolarHBondContact O-N 2.93Å; G8-S11 WeakPolarHBondContact O-CB 3.41Å; G8-S11 PolarHBondContact O-N 3.09Å; G8-S11 VanDerWaalsContact O-N 3.09Å; S11-A14 PolarHBondContact O-N 3.35Å; S11-A15 PolarHBondContact O-N 2.7Å; S11-F154 PolarHBondContact OG-O 2.69Å; S11-F154 VanDerWaalsContact OG-O 3.08Å
12H94.4Very high93.1Very high9 Ų939.9 Ų39.94%0.04221%0.207CC..Hα-helixtrans-63.4-46.4175.7-169.2-178.2000111.5G8 D9 A14 A15 I16 F44 E127 Y158G8-H12 PolarHBondContact O-N 3.35Å; D9-H12 PolarHBondContact O-N 3.38Å; H12-A14 VanDerWaalsContact C-N 3.32Å; H12-A14 PolarHBondContact O-N 3.47Å; H12-A15 WeakPolarHBondContact O-CB 3.39Å; H12-A15 PolarHBondContact O-N 3.42Å; H12-I16 PolarHBondContact O-N 2.96Å; H12-I16 VanDerWaalsContact O-N 3.14Å; H12-F44 AromaticContact CE1-CE1 3.8Å; H12-F44 AromaticContact CE1-CZ 3.53Å; H12-F44 AromaticContact NE2-CZ 3.71Å; H12-E127 IonicContact CE1-OE1 3.77Å; H12-Y158 HydrophobicContact CB-CD1 3.93Å; H12-Y158 HydrophobicContact CB-CD2 4.33Å; H12-Y158 HydrophobicContact CB-CG 3.8Å; H12-Y158 AromaticContact CG-CD1 3.9Å
13L93.7Very high93.4Very high26 Ų2639 Ų3914%0.13620%0.202CC..Hα-helixtrans-60.2-42.2175.8-17961.5000111.8D9 L10 A15 I16 I17 M63 I66 Y67D9-L13 WeakPolarHBondContact O-CB 3.09Å; D9-L13 PolarHBondContact O-N 3.11Å; L10-L13 PolarHBondContact O-N 2.79Å; L13-A15 VanDerWaalsContact C-N 3.34Å; L13-A15 PolarHBondContact O-N 3.11Å; L13-I16 PolarHBondContact O-N 2.95Å; L13-I17 HydrophobicContact CD1-CD1 3.89Å; L13-I17 HydrophobicContact CD1-CG1 4.15Å; L13-I17 HydrophobicContact CD2-CD1 4.38Å; L13-I17 HydrophobicContact CG-CD1 3.79Å; L13-I17 HydrophobicContact CG-CG1 4.41Å; L13-I17 WeakPolarHBondContact O-CG1 3.4Å; L13-I17 PolarHBondContact O-N 3.46Å; L13-M63 HydrophobicContact CB-CE 4.28Å; L13-M63 HydrophobicContact CD2-CE 4.06Å; L13-M63 HydrophobicContact CD2-SD 4.21Å; L13-I66 HydrophobicContact CD1-CG2 3.6Å; L13-Y67 HydrophobicContact CB-CE1 4.21Å; L13-Y67 HydrophobicContact CD1-CE1 4.31Å
14A94.6Very high93.6Very high33 Ų3339 Ų3927%0.27320%0.195SC..Hα-helixtrans-59.4-44.1175.700000111.6L10 S11 H12 I16 I17 I18L10-A14 WeakPolarHBondContact O-CB 3.26Å; L10-A14 PolarHBondContact O-N 3.19Å; S11-A14 PolarHBondContact O-N 3.35Å; H12-A14 VanDerWaalsContact C-N 3.32Å; H12-A14 PolarHBondContact O-N 3.47Å; A14-I16 PolarHBondContact O-N 3.42Å; A14-I17 PolarHBondContact O-N 3.27Å; A14-I18 WeakPolarHBondContact O-CB 3.29Å; A14-I18 WeakPolarHBondContact O-CD1 3.29Å; A14-I18 WeakPolarHBondContact O-CG1 3.38Å; A14-I18 PolarHBondContact O-N 3.06Å
15A94.3Very high93.8Very high0 Ų044.1 Ų44.10%022%0.217CC..Hα-helixtrans-57.2-48176.700000111.8S11 H12 L13 I18 L19 Y151 F154 L155S11-A15 PolarHBondContact O-N 2.7Å; H12-A15 WeakPolarHBondContact O-CB 3.39Å; H12-A15 PolarHBondContact O-N 3.42Å; L13-A15 VanDerWaalsContact C-N 3.34Å; L13-A15 PolarHBondContact O-N 3.11Å; A15-I18 PolarHBondContact O-N 3.19Å; A15-L19 PolarHBondContact O-N 3.21Å; A15-L19 VanDerWaalsContact O-N 3.08Å; A15-Y151 HydrophobicContact CB-CD2 4.06Å; A15-Y151 HydrophobicContact CB-CE2 4.5Å; A15-Y151 WeakPolarHBondContact O-CD2 3.27Å; A15-F154 HydrophobicContact CB-CB 3.76Å; A15-L155 HydrophobicContact CB-CB 4.09Å; A15-L155 HydrophobicContact CB-CD1 4.18Å
16I94.5Very high94Very high17 Ų1743.5 Ų43.59%0.08722%0.223CC..Hα-helixtrans-64.2-45-179.4-69.3169.9000111.2H12 L13 A14 L19 L20 F44 Y67 C70H12-I16 PolarHBondContact O-N 2.96Å; H12-I16 VanDerWaalsContact O-N 3.14Å; L13-I16 PolarHBondContact O-N 2.95Å; A14-I16 PolarHBondContact O-N 3.42Å; I16-L19 PolarHBondContact O-N 3.44Å; I16-L20 WeakPolarHBondContact O-CB 3.34Å; I16-L20 PolarHBondContact O-N 3.06Å; I16-F44 HydrophobicContact CD1-CE2 4.05Å; I16-F44 HydrophobicContact CD1-CZ 3.99Å; I16-Y67 HydrophobicContact CD1-CD1 3.44Å; I16-Y67 VanDerWaalsContact CD1-CD1 3.44Å; I16-Y67 HydrophobicContact CD1-CE1 3.71Å; I16-C70 HydrophobicContact CG2-CB 3.34Å
17I94.4Very high94.2Very high70 Ų7046.3 Ų46.336%0.35923%0.228SC..Hα-helixtrans-65.1-42.2178.4-68.4174.2000110.9L13 A14 L19 L20 L21L13-I17 HydrophobicContact CD1-CD1 3.89Å; L13-I17 HydrophobicContact CD1-CG1 4.15Å; L13-I17 HydrophobicContact CD2-CD1 4.38Å; L13-I17 HydrophobicContact CG-CD1 3.79Å; L13-I17 HydrophobicContact CG-CG1 4.41Å; L13-I17 WeakPolarHBondContact O-CG1 3.4Å; L13-I17 PolarHBondContact O-N 3.46Å; A14-I17 PolarHBondContact O-N 3.27Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.39Å; I17-L20 PolarHBondContact O-N 3.35Å; I17-L21 HydrophobicContact CG2-CD1 3.65Å; I17-L21 HydrophobicContact CG2-CG 4.03Å; I17-L21 VanDerWaalsContact O-CB 3.29Å; I17-L21 WeakPolarHBondContact O-CB 3.47Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.48Å; I17-L21 PolarHBondContact O-N 3.47Å
18I94.3Very high94.3Very high44 Ų4445 Ų4523%0.22622%0.221CC..Hα-helixtrans-58.2-47.7177.3-73.8164.2000110.4A14 A15 K22 I147 F154A14-I18 WeakPolarHBondContact O-CB 3.29Å; A14-I18 WeakPolarHBondContact O-CD1 3.29Å; A14-I18 WeakPolarHBondContact O-CG1 3.38Å; A14-I18 PolarHBondContact O-N 3.06Å; A15-I18 PolarHBondContact O-N 3.19Å; I18-K22 VanDerWaalsContact O-CB 3.26Å; I18-K22 WeakPolarHBondContact O-CB 3.34Å; I18-K22 PolarHBondContact O-N 3.49Å; I18-I147 HydrophobicContact CG2-CG2 4.02Å; I18-F154 HydrophobicContact CD1-CD2 3.39Å; I18-F154 HydrophobicContact CD1-CE2 3.51Å; I18-F154 HydrophobicContact CD1-CG 4.45Å
19L94.9Very high94.3Very high3 Ų345 Ų452%0.01622%0.221CC..Hα-helixtrans-63-47.3179.2179.661000111.7A15 I16 I17 L21 K22 I23 I32 Q37 T74 Y151A15-L19 PolarHBondContact O-N 3.21Å; A15-L19 VanDerWaalsContact O-N 3.08Å; I16-L19 PolarHBondContact O-N 3.44Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.39Å; L19-L21 PolarHBondContact O-N 3.31Å; L19-K22 WeakPolarHBondContact O-CB 3.32Å; L19-K22 PolarHBondContact O-N 2.97Å; L19-I23 HydrophobicContact CD1-CD1 4.04Å; L19-I23 HydrophobicContact CD1-CG1 4.38Å; L19-I23 HydrophobicContact CG-CD1 4.13Å; L19-I23 WeakPolarHBondContact O-CG1 3.3Å; L19-I23 PolarHBondContact O-N 3.5Å; L19-I32 HydrophobicContact CD1-CD1 3.65Å; L19-I32 HydrophobicContact CD1-CG1 3.98Å; L19-I32 HydrophobicContact CD1-CG2 4.16Å; L19-Q37 HydrophobicContact CD2-CG 4.43Å; L19-T74 HydrophobicContact CD2-CG2 3.99Å; L19-T74 HydrophobicContact CG-CG2 4.32Å; L19-Y151 HydrophobicContact CB-CD2 3.95Å; L19-Y151 HydrophobicContact CB-CE2 4.35Å; L19-Y151 HydrophobicContact CB-CG 4.26Å; L19-Y151 HydrophobicContact CD2-CD2 4.35Å; L19-Y151 HydrophobicContact CD2-CE1 4.42Å; L19-Y151 HydrophobicContact CD2-CE2 3.97Å
20L94.9Very high94.3Very high37 Ų3745.6 Ų45.619%0.19423%0.23CC..Hα-helixtrans-62.2-45.9-179.5-170.174.6000111.4I16 I17 K22 I23 W24 A73 T74 L77I16-L20 WeakPolarHBondContact O-CB 3.34Å; I16-L20 PolarHBondContact O-N 3.06Å; I17-L20 PolarHBondContact O-N 3.35Å; L20-K22 VanDerWaalsContact C-N 3.35Å; L20-I23 PolarHBondContact O-N 3.42Å; L20-W24 WeakPolarHBondContact O-CB 3.33Å; L20-W24 PolarHBondContact O-N 2.85Å; L20-A73 HydrophobicContact CD1-CB 3.96Å; L20-T74 WeakPolarHBondContact CD1-OG1 3.47Å; L20-L77 HydrophobicContact CD1-CD1 3.68Å; L20-L77 HydrophobicContact CG-CD1 4.47Å
21L94.6Very high94.1Very high80 Ų8042.8 Ų42.842%0.41922%0.222SC..Hα-helixtrans-66.1-36.5176.9-72.3179.9000112.2I17 L19 W24 K25I17-L21 HydrophobicContact CG2-CD1 3.65Å; I17-L21 HydrophobicContact CG2-CG 4.03Å; I17-L21 VanDerWaalsContact O-CB 3.29Å; I17-L21 WeakPolarHBondContact O-CB 3.47Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.48Å; I17-L21 PolarHBondContact O-N 3.47Å; L19-L21 PolarHBondContact O-N 3.31Å; L21-W24 PolarHBondContact O-N 3.32Å; L21-K25 VanDerWaalsContact O-CB 3.26Å; L21-K25 WeakPolarHBondContact O-CB 3.4Å; L21-K25 WeakPolarHBondContact O-CG 3.23Å; L21-K25 PolarHBondContact O-N 3.47Å
22K94.3Very high94.1Very high9 Ų942.4 Ų42.44%0.03922%0.219CC..Hα-helixtrans-56.2-58.5173.5-176.9-92.6-172.9174.80109.4I18 L19 L20 W24 K25 T26 A30 E145 I147I18-K22 VanDerWaalsContact O-CB 3.26Å; I18-K22 WeakPolarHBondContact O-CB 3.34Å; I18-K22 PolarHBondContact O-N 3.49Å; L19-K22 WeakPolarHBondContact O-CB 3.32Å; L19-K22 PolarHBondContact O-N 2.97Å; L20-K22 VanDerWaalsContact C-N 3.35Å; K22-W24 VanDerWaalsContact C-N 3.29Å; K22-W24 PolarHBondContact O-N 2.72Å; K22-K25 PolarHBondContact O-N 3.21Å; K22-T26 WeakPolarHBondContact O-CB 3.27Å; K22-T26 WeakPolarHBondContact O-CG2 3.43Å; K22-T26 PolarHBondContact O-N 3.03Å; K22-T26 PolarHBondContact O-OG1 2.99Å; K22-A30 PolarHBondContact NZ-O 3.14Å; K22-A30 VanDerWaalsContact NZ-O 3.09Å; K22-E145 WeakPolarHBondContact CE-OE2 3.49Å; K22-E145 IonicContact NZ-OE2 2.74Å; K22-E145 PolarHBondContact NZ-OE2 2.93Å; K22-I147 HydrophobicContact CB-CG2 3.81Å; K22-I147 HydrophobicContact CG-CB 4.15Å; K22-I147 HydrophobicContact CG-CD1 4.43Å; K22-I147 HydrophobicContact CG-CG2 3.61Å
23I95.6Very high94.2Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-60.1-41.6-177.9-62.2167.7000110.9L19 L20 R27 S28 C29 T74 L77 I78 F82L19-I23 HydrophobicContact CD1-CD1 4.04Å; L19-I23 HydrophobicContact CD1-CG1 4.38Å; L19-I23 HydrophobicContact CG-CD1 4.13Å; L19-I23 WeakPolarHBondContact O-CG1 3.3Å; L19-I23 PolarHBondContact O-N 3.5Å; L20-I23 PolarHBondContact O-N 3.42Å; I23-R27 WeakPolarHBondContact O-CA 3.41Å; I23-R27 PolarHBondContact O-N 2.93Å; I23-S28 PolarHBondContact O-N 2.97Å; I23-C29 HydrophobicContact CD1-CB 4.47Å; I23-C29 HydrophobicContact CG1-CB 4.36Å; I23-C29 HydrophobicContact CG2-CB 4.21Å; I23-T74 HydrophobicContact CD1-CG2 3.98Å; I23-L77 HydrophobicContact CB-CD1 4.26Å; I23-L77 HydrophobicContact CG2-CB 3.83Å; I23-L77 HydrophobicContact CG2-CD1 3.92Å; I23-L77 HydrophobicContact CG2-CG 4.49Å; I23-I78 HydrophobicContact CD1-CD1 4.33Å; I23-I78 HydrophobicContact CD1-CG1 4.13Å; I23-F82 HydrophobicContact CG2-CD2 3.57Å; I23-F82 HydrophobicContact CG2-CE2 4.02Å
24W95.6Very high94.3Very high114 Ų11440.7 Ų40.743%0.43221%0.211SC..Hα-helixtrans-67.5-45.1-179.4-175.6-96.7000113.5L20 L21 K22 R27 L77 K81L20-W24 WeakPolarHBondContact O-CB 3.33Å; L20-W24 PolarHBondContact O-N 2.85Å; L21-W24 PolarHBondContact O-N 3.32Å; K22-W24 VanDerWaalsContact C-N 3.29Å; K22-W24 PolarHBondContact O-N 2.72Å; W24-R27 VanDerWaalsContact O-CD 3.3Å; W24-R27 WeakPolarHBondContact O-CD 3.48Å; W24-L77 HydrophobicContact CE3-CD1 4.4Å; W24-L77 HydrophobicContact CE3-CD2 4.04Å; W24-L77 HydrophobicContact CZ3-CD2 4.21Å; W24-K81 HydrophobicContact CZ3-CD 4.17Å; W24-K81 VanDerWaalsContact CZ3-NZ 3.33Å
25K95.2Very high94.5Very high161 Ų16141.6 Ų41.670%0.721%0.208SC*.Hα-helixtrans-75.2-40.1-177-73.1-174.4175.2-175.50112.2L21 K22 R27L21-K25 VanDerWaalsContact O-CB 3.26Å; L21-K25 WeakPolarHBondContact O-CB 3.4Å; L21-K25 WeakPolarHBondContact O-CG 3.23Å; L21-K25 PolarHBondContact O-N 3.47Å; K22-K25 PolarHBondContact O-N 3.21Å; K25-R27 VanDerWaalsContact C-N 3.28Å
26T94.3Very high94.6Very high70 Ų7041.6 Ų41.643%0.42921%0.208SC..Hα-helixtrans-81.1-11.1178.365.50000112.9K22 S28K22-T26 WeakPolarHBondContact O-CB 3.27Å; K22-T26 WeakPolarHBondContact O-CG2 3.43Å; K22-T26 PolarHBondContact O-N 3.03Å; K22-T26 PolarHBondContact O-OG1 2.99Å; T26-S28 PolarHBondContact O-N 3.1Å; T26-S28 VanDerWaalsContact O-N 3.16Å; T26-S28 PolarHBondContact OG1-N 2.93Å; T26-S28 PolarHBondContact OG1-O 3.33Å
27R95.3Very high94.8Very high127 Ų12741.3 Ų41.348%0.47921%0.206SC..THydrogen-bonded Turntrans54.828.2-173.7-54.5-65.5-171.4-172.28.1112.5I23 W24 K25 F82I23-R27 WeakPolarHBondContact O-CA 3.41Å; I23-R27 PolarHBondContact O-N 2.93Å; W24-R27 VanDerWaalsContact O-CD 3.3Å; W24-R27 WeakPolarHBondContact O-CD 3.48Å; K25-R27 VanDerWaalsContact C-N 3.28Å; R27-F82 HydrophobicContact CB-CD1 4.28Å; R27-F82 HydrophobicContact CB-CE1 3.73Å; R27-F82 HydrophobicContact CB-CZ 4.2Å; R27-F82 VanDerWaalsContact CD-CZ 3.49Å; R27-F82 HydrophobicContact CG-CE1 4.3Å; R27-F82 HydrophobicContact CG-CZ 4.48Å; R27-F82 VanDerWaalsContact O-CD1 3.22Å; R27-F82 WeakPolarHBondContact O-CD1 3.22Å
28S93.3Very high95Very high27 Ų2741.6 Ų41.619%0.18921%0.208CC..  trans-147.5137.1-173.7175.60000111.6I23 T26 A30 T85I23-S28 PolarHBondContact O-N 2.97Å; T26-S28 PolarHBondContact O-N 3.1Å; T26-S28 VanDerWaalsContact O-N 3.16Å; T26-S28 PolarHBondContact OG1-N 2.93Å; T26-S28 PolarHBondContact OG1-O 3.33Å; S28-A30 WeakPolarHBondContact OG-CB 3.33Å; S28-A30 PolarHBondContact OG-N 3.45Å; S28-T85 WeakPolarHBondContact CA-OG1 3.07Å
29C93.8Very high95.2Very high0 Ų039.7 Ų39.70%020%0.198CC..  trans-107.218.3172.963.40000113.3I23 G31 I32 I78 F82 T85I23-C29 HydrophobicContact CD1-CB 4.47Å; I23-C29 HydrophobicContact CG1-CB 4.36Å; I23-C29 HydrophobicContact CG2-CB 4.21Å; C29-G31 PolarHBondContact O-N 3.32Å; C29-I32 WeakPolarHBondContact O-CB 3.38Å; C29-I32 PolarHBondContact O-N 3.31Å; C29-I78 HydrophobicContact CB-CG1 3.89Å; C29-F82 PolarHBondContact SG-O 2.95Å; C29-T85 PolarHBondContact N-OG1 2.91Å; C29-T85 PolarHBondContact SG-OG1 3.15Å
30A91.1Very high95.3Very high34 Ų3440 Ų4028%0.28120%0.199SC..THydrogen-bonded Turntrans-54.3137.5174.500000111.6K22 S28 I32 T85K22-A30 PolarHBondContact NZ-O 3.14Å; K22-A30 VanDerWaalsContact NZ-O 3.09Å; S28-A30 WeakPolarHBondContact OG-CB 3.33Å; S28-A30 PolarHBondContact OG-N 3.45Å; A30-I32 VanDerWaalsContact C-N 3.28Å; A30-I32 PolarHBondContact O-N 3.25Å; A30-T85 PolarHBondContact N-O 3.28Å
31G89.1Confident95.5Very high29 Ų2938.5 Ų38.530%0.29919%0.192SC..THydrogen-bonded Turntrans75.25.1-179.300000115.9C29 Q134C29-G31 PolarHBondContact O-N 3.32Å; G31-Q134 PolarHBondContact O-NE2 3.25Å
32I94.2Very high95.6Very high0 Ų037.5 Ų37.50%019%0.187CC..  trans-106.9127.3177.7-53.6-57.3000110L19 C29 A30 G34 Q37 I78 T148L19-I32 HydrophobicContact CD1-CD1 3.65Å; L19-I32 HydrophobicContact CD1-CG1 3.98Å; L19-I32 HydrophobicContact CD1-CG2 4.16Å; C29-I32 WeakPolarHBondContact O-CB 3.38Å; C29-I32 PolarHBondContact O-N 3.31Å; A30-I32 VanDerWaalsContact C-N 3.28Å; A30-I32 PolarHBondContact O-N 3.25Å; I32-G34 PolarHBondContact O-N 2.94Å; I32-Q37 HydrophobicContact CG2-CG 4.3Å; I32-I78 HydrophobicContact CG2-CD1 3.93Å; I32-T148 HydrophobicContact CD1-CG2 3.74Å
33S96Very high95.8Very high0 Ų037.1 Ų37.10%019%0.186CC..  trans-74112.4172.8172.70000109.6K35 S36 Q37 D91 P133S33-K35 PolarHBondContact O-N 3.24Å; S33-K35 PolarHBondContact OG-N 3.38Å; S33-S36 PolarHBondContact O-N 3.37Å; S33-S36 PolarHBondContact OG-N 2.77Å; S33-Q37 PolarHBondContact O-N 3.48Å; S33-D91 WeakPolarHBondContact CA-OD2 3.43Å; S33-D91 VanDerWaalsContact OG-CG 3.25Å; S33-D91 PolarHBondContact OG-OD1 3.39Å; S33-D91 PolarHBondContact OG-OD2 2.77Å; S33-P133 VanDerWaalsContact OG-CB 3.27Å; S33-P133 WeakPolarHBondContact OG-CB 3.35Å
34G96.9Very high95.9Very high0 Ų037.2 Ų37.20%019%0.186CC..Hα-helixtrans-65.6-30.1172.600000111.3I32 Q37 I38 Y79 D91I32-G34 PolarHBondContact O-N 2.94Å; G34-Q37 PolarHBondContact O-N 2.7Å; G34-I38 WeakPolarHBondContact O-CG1 3.5Å; G34-I38 PolarHBondContact O-N 2.62Å; G34-Y79 WeakPolarHBondContact CA-OH 3.41Å; G34-Y79 PolarHBondContact O-OH 2.95Å; G34-D91 PolarHBondContact N-OD2 3.3Å
35K97.9Very high96Very high51 Ų5133.8 Ų33.822%0.22218%0.178CC..Hα-helixtrans-62.7-47176.3-74.1175.2174.51720112.1S33 Q37 I38 L39 Y79 D91 F93 V95 P133S33-K35 PolarHBondContact O-N 3.24Å; S33-K35 PolarHBondContact OG-N 3.38Å; K35-Q37 VanDerWaalsContact C-N 3.29Å; K35-Q37 PolarHBondContact O-N 3.21Å; K35-I38 PolarHBondContact O-N 3.09Å; K35-L39 WeakPolarHBondContact O-CG 3.34Å; K35-L39 PolarHBondContact O-N 3.16Å; K35-Y79 PolarHBondContact N-OH 3.35Å; K35-D91 VanDerWaalsContact CE-O 3.27Å; K35-D91 WeakPolarHBondContact CE-O 3.37Å; K35-D91 PolarHBondContact N-OD2 3.43Å; K35-D91 VanDerWaalsContact N-OD2 3.09Å; K35-D91 PolarHBondContact NZ-O 3.3Å; K35-F93 VanDerWaalsContact CD-O 3.23Å; K35-F93 WeakPolarHBondContact CD-O 3.26Å; K35-F93 WeakPolarHBondContact CE-O 3.4Å; K35-F93 PolarHBondContact NZ-O 3.42Å; K35-V95 HydrophobicContact CB-CG1 3.85Å; K35-V95 HydrophobicContact CD-CG1 4.09Å; K35-V95 HydrophobicContact CG-CG1 4.15Å; K35-P133 HydrophobicContact CB-CB 3.86Å; K35-P133 HydrophobicContact CB-CG 4.19Å
36S97.1Very high96.1Very high0 Ų026.9 Ų26.90%015%0.149CC..Hα-helixtrans-58.5-40.4173.9-820000112.3S33 I38 L39 F40 A130 P133 Q134S33-S36 PolarHBondContact O-N 3.37Å; S33-S36 PolarHBondContact OG-N 2.77Å; S36-I38 PolarHBondContact O-N 3.22Å; S36-L39 PolarHBondContact O-N 3.27Å; S36-F40 WeakPolarHBondContact O-CD2 3.27Å; S36-F40 PolarHBondContact O-N 3.06Å; S36-A130 WeakPolarHBondContact CA-O 3.34Å; S36-A130 VanDerWaalsContact CB-O 3.29Å; S36-A130 WeakPolarHBondContact CB-O 3.35Å; S36-A130 PolarHBondContact OG-O 3.43Å; S36-P133 WeakPolarHBondContact OG-CB 3.23Å; S36-P133 WeakPolarHBondContact OG-CD 3.36Å; S36-Q134 PolarHBondContact OG-N 2.89Å
37Q98.1Very high96.3Very high11 Ų1125 Ų255%0.05113%0.134CC..Hα-helixtrans-67.5-35.7179-58.3-50.2-50.400112.8L19 I32 S33 G34 K35 F40 A41 T74 V75 I78 Y151L19-Q37 HydrophobicContact CD2-CG 4.43Å; I32-Q37 HydrophobicContact CG2-CG 4.3Å; S33-Q37 PolarHBondContact O-N 3.48Å; G34-Q37 PolarHBondContact O-N 2.7Å; K35-Q37 VanDerWaalsContact C-N 3.29Å; K35-Q37 PolarHBondContact O-N 3.21Å; Q37-F40 PolarHBondContact O-N 3.04Å; Q37-A41 WeakPolarHBondContact O-CB 3.43Å; Q37-A41 PolarHBondContact O-N 3.41Å; Q37-T74 HydrophobicContact CB-CG2 4.38Å; Q37-T74 HydrophobicContact CG-CG2 3.9Å; Q37-V75 HydrophobicContact CB-CG2 4.06Å; Q37-I78 HydrophobicContact CB-CD1 4.12Å; Q37-I78 HydrophobicContact CG-CD1 3.62Å; Q37-Y151 PolarHBondContact NE2-OH 3.2Å
38I98.4Very high96.3Very high76 Ų7620.4 Ų20.439%0.3912%0.117SC..Hα-helixtrans-62.5-44171.1-70.5170.4000110.6G34 K35 S36 A41 L42 V75 Y79G34-I38 WeakPolarHBondContact O-CG1 3.5Å; G34-I38 PolarHBondContact O-N 2.62Å; K35-I38 PolarHBondContact O-N 3.09Å; S36-I38 PolarHBondContact O-N 3.22Å; I38-A41 PolarHBondContact O-N 3.09Å; I38-L42 WeakPolarHBondContact O-CB 3.48Å; I38-L42 PolarHBondContact O-N 2.95Å; I38-V75 HydrophobicContact CG1-CG1 4.19Å; I38-V75 HydrophobicContact CG1-CG2 4.3Å; I38-Y79 HydrophobicContact CD1-CD2 4.32Å; I38-Y79 HydrophobicContact CD1-CE2 3.45Å; I38-Y79 VanDerWaalsContact CD1-CE2 3.45Å; I38-Y79 WeakPolarHBondContact CD1-OH 3.41Å; I38-Y79 HydrophobicContact CG1-CE2 3.81Å
39L98.4Very high96.3Very high4 Ų422.2 Ų22.22%0.02112%0.124CC..Hα-helixtrans-62.8-43.7178.4-64.6-177.6000111.6K35 S36 L42 V43 V95 L98 V99 L126 A130 P133K35-L39 WeakPolarHBondContact O-CG 3.34Å; K35-L39 PolarHBondContact O-N 3.16Å; S36-L39 PolarHBondContact O-N 3.27Å; L39-L42 PolarHBondContact O-N 3.47Å; L39-V43 WeakPolarHBondContact O-CG2 3.48Å; L39-V43 PolarHBondContact O-N 2.91Å; L39-V95 HydrophobicContact CD1-CG1 4.14Å; L39-V95 HydrophobicContact CD2-CB 4.42Å; L39-V95 HydrophobicContact CG-CG1 4.45Å; L39-L98 HydrophobicContact CD1-CD1 3.97Å; L39-V99 HydrophobicContact CD2-CG2 3.79Å; L39-L126 HydrophobicContact CD2-CD1 4.21Å; L39-A130 HydrophobicContact CB-CB 3.8Å; L39-A130 HydrophobicContact CD1-CB 4.48Å; L39-P133 HydrophobicContact CD1-CG 4.05Å
40F97.8Very high96.2Very high9 Ų924.4 Ų24.44%0.03914%0.136CC..Hα-helixtrans-63.7-39.5174.7-72.7-56.2000112.8S36 Q37 L42 V43 F44 E127 A130 I131 L155S36-F40 WeakPolarHBondContact O-CD2 3.27Å; S36-F40 PolarHBondContact O-N 3.06Å; Q37-F40 PolarHBondContact O-N 3.04Å; F40-L42 VanDerWaalsContact C-N 3.34Å; F40-L42 PolarHBondContact O-N 3.39Å; F40-V43 WeakPolarHBondContact O-CB 3.44Å; F40-V43 PolarHBondContact O-N 3.09Å; F40-F44 VanDerWaalsContact O-CD2 3.22Å; F40-F44 WeakPolarHBondContact O-CD2 3.46Å; F40-F44 PolarHBondContact O-N 3.48Å; F40-F44 VanDerWaalsContact O-N 3.08Å; F40-E127 HydrophobicContact CE1-CG 4.44Å; F40-A130 HydrophobicContact CD1-CB 3.85Å; F40-A130 HydrophobicContact CE1-CB 3.61Å; F40-A130 HydrophobicContact CE2-CB 4.45Å; F40-A130 HydrophobicContact CG-CB 4.36Å; F40-A130 HydrophobicContact CZ-CB 3.93Å; F40-I131 HydrophobicContact CE2-CD1 3.99Å; F40-I131 HydrophobicContact CZ-CB 4.29Å; F40-I131 HydrophobicContact CZ-CD1 4.09Å; F40-L155 HydrophobicContact CE2-CD2 4.13Å; F40-L155 HydrophobicContact CZ-CD2 3.84Å
41A98.2Very high96.2Very high6 Ų625 Ų255%0.0513%0.134CC..Hα-helixtrans-60.9-44.3173.200000111.2Q37 I38 V43 F44 T45 A71 V75Q37-A41 WeakPolarHBondContact O-CB 3.43Å; Q37-A41 PolarHBondContact O-N 3.41Å; I38-A41 PolarHBondContact O-N 3.09Å; A41-V43 VanDerWaalsContact C-N 3.35Å; A41-V43 PolarHBondContact O-N 3.24Å; A41-F44 PolarHBondContact O-N 3.24Å; A41-T45 WeakPolarHBondContact O-CB 3.34Å; A41-T45 PolarHBondContact O-N 3.02Å; A41-T45 PolarHBondContact O-OG1 3.01Å; A41-A71 HydrophobicContact CB-CB 4.08Å; A41-V75 HydrophobicContact CB-CG2 4.15Å
42L98.3Very high96.1Very high60 Ų6031.1 Ų31.131%0.31416%0.159SC..Hα-helixtrans-62.5-39.7176.5-177.360.6000112.4I38 L39 F40 T45 T46 F122 L126I38-L42 WeakPolarHBondContact O-CB 3.48Å; I38-L42 PolarHBondContact O-N 2.95Å; L39-L42 PolarHBondContact O-N 3.47Å; F40-L42 VanDerWaalsContact C-N 3.34Å; F40-L42 PolarHBondContact O-N 3.39Å; L42-T45 PolarHBondContact O-N 3.2Å; L42-T46 HydrophobicContact CD1-CG2 4.03Å; L42-T46 WeakPolarHBondContact O-CB 3.44Å; L42-T46 WeakPolarHBondContact O-CG2 3.31Å; L42-T46 PolarHBondContact O-N 3.45Å; L42-T46 PolarHBondContact O-OG1 3.27Å; L42-F122 HydrophobicContact CD2-CE1 4.09Å; L42-F122 HydrophobicContact CD2-CZ 4.03Å; L42-F122 HydrophobicContact CG-CE1 4.09Å; L42-L126 HydrophobicContact CB-CD2 4.22Å; L42-L126 HydrophobicContact CD2-CD2 3.75Å; L42-L126 HydrophobicContact CG-CD2 3.95Å
43V98.3Very high95.8Very high0 Ų035.5 Ų35.50%019%0.186CC..Hα-helixtrans-56.2-53.1172.8165.10000110.5L39 F40 A41 T45 T46 R47 L126 E127L39-V43 WeakPolarHBondContact O-CG2 3.48Å; L39-V43 PolarHBondContact O-N 2.91Å; F40-V43 WeakPolarHBondContact O-CB 3.44Å; F40-V43 PolarHBondContact O-N 3.09Å; A41-V43 VanDerWaalsContact C-N 3.35Å; A41-V43 PolarHBondContact O-N 3.24Å; V43-T45 PolarHBondContact O-N 3.32Å; V43-T46 PolarHBondContact O-N 3.38Å; V43-T46 PolarHBondContact O-OG1 3.15Å; V43-R47 WeakPolarHBondContact O-CB 3.49Å; V43-R47 PolarHBondContact O-N 2.94Å; V43-L126 HydrophobicContact CG2-CB 3.93Å; V43-L126 HydrophobicContact CG2-CD2 3.87Å; V43-L126 HydrophobicContact CG2-CG 3.85Å; V43-E127 HydrophobicContact CG1-CB 3.84Å; V43-E127 HydrophobicContact CG1-CG 4.12Å; V43-E127 HydrophobicContact CG2-CB 3.87Å
44F97.5Very high95.4Very high3 Ų338.4 Ų38.41%0.01321%0.206CC..Hα-helixtrans-67.4-38.2-177.6-62.8-44.8000112.5H12 I16 F40 A41 T46 Y48 Y67 I68 A71H12-F44 AromaticContact CE1-CE1 3.8Å; H12-F44 AromaticContact CE1-CZ 3.53Å; H12-F44 AromaticContact NE2-CZ 3.71Å; I16-F44 HydrophobicContact CD1-CE2 4.05Å; I16-F44 HydrophobicContact CD1-CZ 3.99Å; F40-F44 VanDerWaalsContact O-CD2 3.22Å; F40-F44 WeakPolarHBondContact O-CD2 3.46Å; F40-F44 PolarHBondContact O-N 3.48Å; F40-F44 VanDerWaalsContact O-N 3.08Å; A41-F44 PolarHBondContact O-N 3.24Å; F44-T46 PolarHBondContact O-N 3.38Å; F44-Y48 HydrophobicContact CB-CD2 3.9Å; F44-Y48 HydrophobicContact CB-CE2 3.86Å; F44-Y48 HydrophobicContact CD1-CD2 4.27Å; F44-Y48 AromaticContact CD1-CE2 3.39Å; F44-Y48 HydrophobicContact CD1-CE2 3.39Å; F44-Y48 AromaticContact CD1-CZ 3.85Å; F44-Y48 HydrophobicContact CE1-CE2 4.24Å; F44-Y48 HydrophobicContact CG-CD2 4.47Å; F44-Y48 AromaticContact CG-CE2 3.92Å; F44-Y48 HydrophobicContact CG-CE2 3.92Å; F44-Y48 VanDerWaalsContact O-CB 3.29Å; F44-Y48 WeakPolarHBondContact O-CB 3.24Å; F44-Y48 VanDerWaalsContact O-CD2 3.27Å; F44-Y48 WeakPolarHBondContact O-CD2 3.35Å; F44-Y48 PolarHBondContact O-N 3.41Å; F44-Y67 HydrophobicContact CE1-CG 4.38Å; F44-Y67 HydrophobicContact CZ-CD1 4.29Å; F44-Y67 HydrophobicContact CZ-CG 4.4Å; F44-I68 HydrophobicContact CB-CG1 4.06Å; F44-A71 HydrophobicContact CD2-CB 3.72Å; F44-A71 HydrophobicContact CE2-CB 4.13Å
45T97.8Very high95.2Very high42 Ų4245.7 Ų45.726%0.25824%0.238SC..Hα-helixtrans-61.3-45.5176.7-61.30000111.8A41 L42 V43 L49 Y72A41-T45 WeakPolarHBondContact O-CB 3.34Å; A41-T45 PolarHBondContact O-N 3.02Å; A41-T45 PolarHBondContact O-OG1 3.01Å; L42-T45 PolarHBondContact O-N 3.2Å; V43-T45 PolarHBondContact O-N 3.32Å; T45-L49 WeakPolarHBondContact O-CD2 3.49Å; T45-L49 VanDerWaalsContact O-CG 3.31Å; T45-L49 WeakPolarHBondContact O-CG 3.39Å; T45-Y72 VanDerWaalsContact OG1-CE2 3.29Å; T45-Y72 WeakPolarHBondContact OG1-CE2 3.43Å; T45-Y72 PolarHBondContact OG1-OH 3.22Å
46T97.6Very high94.9Very high15 Ų1548.6 Ų48.69%0.09226%0.255CS..Hα-helixtrans-75.8-35.8-179.150.70000112.8L42 V43 F44 L119 F122 S123L42-T46 HydrophobicContact CD1-CG2 4.03Å; L42-T46 WeakPolarHBondContact O-CB 3.44Å; L42-T46 WeakPolarHBondContact O-CG2 3.31Å; L42-T46 PolarHBondContact O-N 3.45Å; L42-T46 PolarHBondContact O-OG1 3.27Å; V43-T46 PolarHBondContact O-N 3.38Å; V43-T46 PolarHBondContact O-OG1 3.15Å; F44-T46 PolarHBondContact O-N 3.38Å; T46-L119 HydrophobicContact CG2-CD2 4.11Å; T46-F122 HydrophobicContact CG2-CD1 3.98Å; T46-F122 HydrophobicContact CG2-CE1 4.06Å; T46-S123 WeakPolarHBondContact OG1-CB 2.92Å
47R97.2Very high94.6Very high31 Ų3150.7 Ų50.712%0.11727%0.27CS..Hα-helixtrans-69.7-36.2179.8-169.7171.3-67.7169.9-3.6113.8V43 S123 E127V43-R47 WeakPolarHBondContact O-CB 3.49Å; V43-R47 PolarHBondContact O-N 2.94Å; R47-S123 WeakPolarHBondContact CB-OG 2.82Å; R47-S123 PolarHBondContact NE-OG 3.4Å; R47-S123 VanDerWaalsContact NH2-C 3.34Å; R47-S123 PolarHBondContact NH2-O 3.45Å; R47-E127 IonicContact CZ-OE2 3.22Å; R47-E127 IonicContact NH1-OE1 2.7Å; R47-E127 PolarHBondContact NH1-OE1 3.03Å; R47-E127 IonicContact NH1-OE2 3.28Å; R47-E127 PolarHBondContact NH1-OE2 3.01Å; R47-E127 IonicContact NH2-OE2 3.81Å; R47-E127 PolarHBondContact NH2-OE2 2.86Å
48Y96.1Very high94.3Very high31 Ų3156.2 Ų56.212%0.12230%0.299CS..THydrogen-bonded Turntrans-105.921-168.2-56.6-33.7000113.3F44 D50 L51 K64 Y67 I68F44-Y48 HydrophobicContact CB-CD2 3.9Å; F44-Y48 HydrophobicContact CB-CE2 3.86Å; F44-Y48 HydrophobicContact CD1-CD2 4.27Å; F44-Y48 AromaticContact CD1-CE2 3.39Å; F44-Y48 HydrophobicContact CD1-CE2 3.39Å; F44-Y48 AromaticContact CD1-CZ 3.85Å; F44-Y48 HydrophobicContact CE1-CE2 4.24Å; F44-Y48 HydrophobicContact CG-CD2 4.47Å; F44-Y48 AromaticContact CG-CE2 3.92Å; F44-Y48 HydrophobicContact CG-CE2 3.92Å; F44-Y48 VanDerWaalsContact O-CB 3.29Å; F44-Y48 WeakPolarHBondContact O-CB 3.24Å; F44-Y48 VanDerWaalsContact O-CD2 3.27Å; F44-Y48 WeakPolarHBondContact O-CD2 3.35Å; F44-Y48 PolarHBondContact O-N 3.41Å; Y48-D50 WeakPolarHBondContact CA-OD1 3.44Å; Y48-D50 PolarHBondContact O-N 3.26Å; Y48-L51 VanDerWaalsContact O-CB 3.23Å; Y48-L51 WeakPolarHBondContact O-CB 3.44Å; Y48-L51 WeakPolarHBondContact O-CG 3.38Å; Y48-L51 PolarHBondContact O-N 3.06Å; Y48-K64 HydrophobicContact CD1-CB 4.43Å; Y48-K64 HydrophobicContact CD1-CD 3.73Å; Y48-K64 HydrophobicContact CD1-CG 3.65Å; Y48-K64 HydrophobicContact CD2-CB 3.97Å; Y48-K64 HydrophobicContact CD2-CG 4.02Å; Y48-K64 HydrophobicContact CE1-CD 4.36Å; Y48-K64 HydrophobicContact CE1-CG 3.89Å; Y48-K64 HydrophobicContact CE2-CB 4.37Å; Y48-K64 HydrophobicContact CE2-CG 4.24Å; Y48-K64 HydrophobicContact CG-CB 4.01Å; Y48-K64 HydrophobicContact CG-CD 3.91Å; Y48-K64 HydrophobicContact CG-CG 3.73Å; Y48-Y67 HydrophobicContact CE2-CD2 4.19Å; Y48-I68 HydrophobicContact CD2-CD1 4.1Å; Y48-I68 HydrophobicContact CD2-CG1 3.98Å
49L93.5Very high93.8Very high64 Ų6456.6 Ų56.634%0.33530%0.296SS..G310 helixtrans-59.3-26171.6-68.3177.3000112.4T45 L51 L52 L116 L119T45-L49 WeakPolarHBondContact O-CD2 3.49Å; T45-L49 VanDerWaalsContact O-CG 3.31Å; T45-L49 WeakPolarHBondContact O-CG 3.39Å; L49-L51 PolarHBondContact O-N 3.16Å; L49-L51 VanDerWaalsContact O-N 3.12Å; L49-L52 PolarHBondContact O-N 2.73Å; L49-L116 HydrophobicContact CB-CD2 4.06Å; L49-L119 HydrophobicContact CD1-CB 4.35Å; L49-L119 HydrophobicContact CD1-CD1 3.42Å; L49-L119 VanDerWaalsContact CD1-CD1 3.42Å; L49-L119 HydrophobicContact CD1-CG 4.45Å
50D90.5Very high93.4Very high46 Ų4658 Ų5825%0.24630%0.304CS..G310 helixtrans-63.1-11.4173.670.8-23.6000113.7Y48 L52 T53 S54 K64Y48-D50 WeakPolarHBondContact CA-OD1 3.44Å; Y48-D50 PolarHBondContact O-N 3.26Å; D50-L52 PolarHBondContact O-N 2.84Å; D50-T53 WeakPolarHBondContact CA-OG1 3.27Å; D50-T53 PolarHBondContact O-N 3.36Å; D50-T53 VanDerWaalsContact O-N 3.1Å; D50-T53 PolarHBondContact O-OG1 3.1Å; D50-S54 PolarHBondContact O-N 3.37Å; D50-K64 IonicContact OD1-NZ 3.13Å; D50-K64 PolarHBondContact OD1-NZ 2.61Å; D50-K64 IonicContact OD2-NZ 2.68Å; D50-K64 PolarHBondContact OD2-NZ 3.13Å
51L91.1Very high93.2Very high47 Ų4759.3 Ų59.325%0.24631%0.312CS..G310 helixtrans-55-30.6169-85.1172.1000112.9Y48 L49 T61 K64 V65 I68Y48-L51 VanDerWaalsContact O-CB 3.23Å; Y48-L51 WeakPolarHBondContact O-CB 3.44Å; Y48-L51 WeakPolarHBondContact O-CG 3.38Å; Y48-L51 PolarHBondContact O-N 3.06Å; L49-L51 PolarHBondContact O-N 3.16Å; L49-L51 VanDerWaalsContact O-N 3.12Å; L51-T61 HydrophobicContact CD2-CG2 3.82Å; L51-K64 HydrophobicContact CD1-CB 3.87Å; L51-K64 HydrophobicContact CD1-CD 4.41Å; L51-K64 HydrophobicContact CD2-CB 3.96Å; L51-K64 HydrophobicContact CD2-CD 3.78Å; L51-K64 HydrophobicContact CG-CB 4.09Å; L51-K64 HydrophobicContact CG-CD 3.79Å; L51-V65 HydrophobicContact CD1-CG2 4.45Å; L51-I68 HydrophobicContact CD1-CD1 3.76Å
52L87.4Confident93Very high158 Ų15862 Ų6283%0.82733%0.328SS*.G310 helixtrans-84.7-16.9-178.5-57.6-179.7000112.7L49 D50L49-L52 PolarHBondContact O-N 2.73Å; D50-L52 PolarHBondContact O-N 2.84Å
53T87.6Confident92.7Very high92 Ų9260 Ų6056%0.56432%0.317SS*.THydrogen-bonded Turntrans-118.3-20.9-170.159.30000113.4D50D50-T53 WeakPolarHBondContact CA-OG1 3.27Å; D50-T53 PolarHBondContact O-N 3.36Å; D50-T53 VanDerWaalsContact O-N 3.1Å; D50-T53 PolarHBondContact O-OG1 3.1Å
54S88.8Confident92.5Very high61 Ų6160.5 Ų60.543%0.42732%0.32SS..  trans-144.7126-167.9-58.40000112.3D50D50-S54 PolarHBondContact O-N 3.37Å
55F92.2Very high92.5Very high152 Ų15264.4 Ų64.467%0.66734%0.344SS*.  trans-105.1110.8171-179-96.2000109.9
56I90.2Very high92.4Very high113 Ų11365.5 Ų65.558%0.57935%0.347SS*.  trans-91.9-52.7178.2-59.1166.9000110.1N60I56-N60 HydrophobicContact CB-CB 4.26Å
57S91.3Very high92.3Very high44 Ų4465.1 Ų65.131%0.30834%0.344SS..  trans-165.6160.2177.569.50000110.8Y59 N60 T61S57-Y59 VanDerWaalsContact C-N 3.26Å; S57-Y59 PolarHBondContact O-N 3.18Å; S57-N60 PolarHBondContact O-N 3.45Å; S57-N60 VanDerWaalsContact O-N 3.15Å; S57-N60 WeakPolarHBondContact OG-CB 3.49Å; S57-N60 PolarHBondContact OG-N 3.04Å; S57-N60 VanDerWaalsContact OG-N 3.17Å; S57-T61 PolarHBondContact O-N 2.84Å; S57-T61 PolarHBondContact O-OG1 3.35Å
58L92.1Very high92.3Very high127 Ų12765.7 Ų65.767%0.66535%0.349SS*.Hα-helixtrans-56.7-42.1176.3-178.862.6000111.6T62L58-T62 WeakPolarHBondContact O-CB 3.39Å; L58-T62 PolarHBondContact O-N 3.41Å; L58-T62 PolarHBondContact O-OG1 3.36Å
59Y88.1Confident92.4Very high84 Ų8466.2 Ų66.233%0.32936%0.364SS..Hα-helixtrans-61-46.8177.3176.6-96.5000111.6M1 S57 T62 M63M1-Y59 HydrophobicContact CE-CD1 4.45Å; M1-Y59 HydrophobicContact CE-CE1 4.25Å; S57-Y59 VanDerWaalsContact C-N 3.26Å; S57-Y59 PolarHBondContact O-N 3.18Å; Y59-T62 PolarHBondContact O-N 2.94Å; Y59-M63 HydrophobicContact CD1-CG 4.28Å; Y59-M63 HydrophobicContact CD2-CG 4.21Å; Y59-M63 HydrophobicContact CE1-CG 3.9Å; Y59-M63 HydrophobicContact CE2-CG 3.83Å; Y59-M63 HydrophobicContact CE2-SD 4.17Å; Y59-M63 HydrophobicContact CG-CG 4.43Å; Y59-M63 WeakPolarHBondContact O-CB 3.43Å; Y59-M63 VanDerWaalsContact O-CG 3.25Å; Y59-M63 WeakPolarHBondContact O-CG 3.35Å; Y59-M63 PolarHBondContact O-N 3.31Å
60N90Very high92.6Very high33 Ų3364.2 Ų64.218%0.17636%0.355CS..Hα-helixtrans-61.8-50.4-179.8-177.6-91.7000111.6I56 S57 T62 M63 K64I56-N60 HydrophobicContact CB-CB 4.26Å; S57-N60 PolarHBondContact O-N 3.45Å; S57-N60 VanDerWaalsContact O-N 3.15Å; S57-N60 WeakPolarHBondContact OG-CB 3.49Å; S57-N60 PolarHBondContact OG-N 3.04Å; S57-N60 VanDerWaalsContact OG-N 3.17Å; N60-T62 PolarHBondContact O-N 3.4Å; N60-M63 PolarHBondContact O-N 3.23Å; N60-K64 WeakPolarHBondContact O-CG 3.13Å; N60-K64 PolarHBondContact O-N 2.98Å; N60-K64 WeakPolarHBondContact OD1-CE 3.5Å; N60-K64 PolarHBondContact OD1-NZ 3.06Å
61T93.7Very high92.9Very high37 Ų3762.3 Ų62.323%0.22735%0.346CS..Hα-helixtrans-60.4-46.7178.5-57.40000111.2L51 S57 M63 K64 V65L51-T61 HydrophobicContact CD2-CG2 3.82Å; S57-T61 PolarHBondContact O-N 2.84Å; S57-T61 PolarHBondContact O-OG1 3.35Å; T61-M63 PolarHBondContact O-N 2.95Å; T61-K64 PolarHBondContact O-N 2.9Å; T61-V65 WeakPolarHBondContact O-CG2 3.42Å; T61-V65 PolarHBondContact O-N 3.04Å
62T93.8Very high93.3Very high62 Ų6265.8 Ų65.838%0.3836%0.356SS..Hα-helixtrans-60.1-47.2179.4-59.10000111.4L58 Y59 N60 K64 V65 I66L58-T62 WeakPolarHBondContact O-CB 3.39Å; L58-T62 PolarHBondContact O-N 3.41Å; L58-T62 PolarHBondContact O-OG1 3.36Å; Y59-T62 PolarHBondContact O-N 2.94Å; N60-T62 PolarHBondContact O-N 3.4Å; T62-K64 PolarHBondContact O-N 3.44Å; T62-V65 PolarHBondContact O-N 3.36Å; T62-I66 HydrophobicContact CG2-CD1 3.79Å; T62-I66 HydrophobicContact CG2-CG1 4.44Å; T62-I66 VanDerWaalsContact O-CG1 3.31Å; T62-I66 WeakPolarHBondContact O-CG1 3.32Å; T62-I66 PolarHBondContact O-N 3.3Å
63M92.1Very high93.8Very high18 Ų1860 Ų609%0.08933%0.331CS..Hα-helixtrans-62.3-43.2179.5-73.7-64.6-65.800112L13 Y59 N60 T61 V65 I66 Y67L13-M63 HydrophobicContact CB-CE 4.28Å; L13-M63 HydrophobicContact CD2-CE 4.06Å; L13-M63 HydrophobicContact CD2-SD 4.21Å; Y59-M63 HydrophobicContact CD1-CG 4.28Å; Y59-M63 HydrophobicContact CD2-CG 4.21Å; Y59-M63 HydrophobicContact CE1-CG 3.9Å; Y59-M63 HydrophobicContact CE2-CG 3.83Å; Y59-M63 HydrophobicContact CE2-SD 4.17Å; Y59-M63 HydrophobicContact CG-CG 4.43Å; Y59-M63 WeakPolarHBondContact O-CB 3.43Å; Y59-M63 VanDerWaalsContact O-CG 3.25Å; Y59-M63 WeakPolarHBondContact O-CG 3.35Å; Y59-M63 PolarHBondContact O-N 3.31Å; N60-M63 PolarHBondContact O-N 3.23Å; T61-M63 PolarHBondContact O-N 2.95Å; M63-V65 PolarHBondContact O-N 3.06Å; M63-I66 PolarHBondContact O-N 2.73Å; M63-Y67 HydrophobicContact CB-CE2 4.35Å; M63-Y67 HydrophobicContact CE-CE1 4.49Å; M63-Y67 HydrophobicContact CE-CE2 3.77Å; M63-Y67 WeakPolarHBondContact CE-OH 3.44Å; M63-Y67 WeakPolarHBondContact O-CD2 3.13Å; M63-Y67 PolarHBondContact O-N 3.43Å
64K95Very high94.3Very high11 Ų1155.7 Ų55.75%0.04831%0.305CS..Hα-helixtrans-60.7-44.7176.8-69.9178.9175.6178.70111.9Y48 D50 L51 N60 T61 T62 Y67 I68Y48-K64 HydrophobicContact CD1-CB 4.43Å; Y48-K64 HydrophobicContact CD1-CD 3.73Å; Y48-K64 HydrophobicContact CD1-CG 3.65Å; Y48-K64 HydrophobicContact CD2-CB 3.97Å; Y48-K64 HydrophobicContact CD2-CG 4.02Å; Y48-K64 HydrophobicContact CE1-CD 4.36Å; Y48-K64 HydrophobicContact CE1-CG 3.89Å; Y48-K64 HydrophobicContact CE2-CB 4.37Å; Y48-K64 HydrophobicContact CE2-CG 4.24Å; Y48-K64 HydrophobicContact CG-CB 4.01Å; Y48-K64 HydrophobicContact CG-CD 3.91Å; Y48-K64 HydrophobicContact CG-CG 3.73Å; D50-K64 IonicContact OD1-NZ 3.13Å; D50-K64 PolarHBondContact OD1-NZ 2.61Å; D50-K64 IonicContact OD2-NZ 2.68Å; D50-K64 PolarHBondContact OD2-NZ 3.13Å; L51-K64 HydrophobicContact CD1-CB 3.87Å; L51-K64 HydrophobicContact CD1-CD 4.41Å; L51-K64 HydrophobicContact CD2-CB 3.96Å; L51-K64 HydrophobicContact CD2-CD 3.78Å; L51-K64 HydrophobicContact CG-CB 4.09Å; L51-K64 HydrophobicContact CG-CD 3.79Å; N60-K64 WeakPolarHBondContact O-CG 3.13Å; N60-K64 PolarHBondContact O-N 2.98Å; N60-K64 WeakPolarHBondContact OD1-CE 3.5Å; N60-K64 PolarHBondContact OD1-NZ 3.06Å; T61-K64 PolarHBondContact O-N 2.9Å; T62-K64 PolarHBondContact O-N 3.44Å; K64-Y67 PolarHBondContact O-N 3.07Å; K64-I68 WeakPolarHBondContact O-CG1 3.23Å; K64-I68 PolarHBondContact O-N 3.04Å
65V96.3Very high94.7Very high85 Ų8554.1 Ų54.152%0.51529%0.293SS..Hα-helixtrans-62.5-43.1176.8172.50000111.3L51 T61 T62 M63 G69L51-V65 HydrophobicContact CD1-CG2 4.45Å; T61-V65 WeakPolarHBondContact O-CG2 3.42Å; T61-V65 PolarHBondContact O-N 3.04Å; T62-V65 PolarHBondContact O-N 3.36Å; M63-V65 PolarHBondContact O-N 3.06Å; V65-G69 PolarHBondContact O-N 3.01Å
66I96Very high95Very high64 Ų6452.8 Ų52.833%0.32828%0.284SS..Hα-helixtrans-61.6-46.5176.2-70.1169.4000110.8L13 T62 M63 G69 C70L13-I66 HydrophobicContact CD1-CG2 3.6Å; T62-I66 HydrophobicContact CG2-CD1 3.79Å; T62-I66 HydrophobicContact CG2-CG1 4.44Å; T62-I66 VanDerWaalsContact O-CG1 3.31Å; T62-I66 WeakPolarHBondContact O-CG1 3.32Å; T62-I66 PolarHBondContact O-N 3.3Å; M63-I66 PolarHBondContact O-N 2.73Å; I66-G69 PolarHBondContact O-N 3.27Å; I66-C70 WeakPolarHBondContact O-CB 3.41Å; I66-C70 PolarHBondContact O-N 3.43Å; I66-C70 PolarHBondContact O-SG 2.75Å; I66-C70 VanDerWaalsContact O-SG 3.38Å
67Y95.6Very high95.4Very high8 Ų847.8 Ų47.83%0.03126%0.258CS..Hα-helixtrans-60.4-48.2179.4-75.4-48.3000112.6D9 L13 I16 F44 Y48 M63 K64 A71D9-Y67 PolarHBondContact O-OH 3.47Å; L13-Y67 HydrophobicContact CB-CE1 4.21Å; L13-Y67 HydrophobicContact CD1-CE1 4.31Å; I16-Y67 HydrophobicContact CD1-CD1 3.44Å; I16-Y67 VanDerWaalsContact CD1-CD1 3.44Å; I16-Y67 HydrophobicContact CD1-CE1 3.71Å; F44-Y67 HydrophobicContact CE1-CG 4.38Å; F44-Y67 HydrophobicContact CZ-CD1 4.29Å; F44-Y67 HydrophobicContact CZ-CG 4.4Å; Y48-Y67 HydrophobicContact CE2-CD2 4.19Å; M63-Y67 HydrophobicContact CB-CE2 4.35Å; M63-Y67 HydrophobicContact CE-CE1 4.49Å; M63-Y67 HydrophobicContact CE-CE2 3.77Å; M63-Y67 WeakPolarHBondContact CE-OH 3.44Å; M63-Y67 WeakPolarHBondContact O-CD2 3.13Å; M63-Y67 PolarHBondContact O-N 3.43Å; K64-Y67 PolarHBondContact O-N 3.07Å; Y67-A71 VanDerWaalsContact O-CB 3.27Å; Y67-A71 WeakPolarHBondContact O-CB 3.41Å; Y67-A71 PolarHBondContact O-N 2.93Å
68I97.2Very high95.7Very high43 Ų4345.7 Ų45.722%0.22124%0.244CC..Hα-helixtrans-60.2-52176.5-65.7167.8000109.6F44 Y48 L51 K64 C70 A71 Y72F44-I68 HydrophobicContact CB-CG1 4.06Å; Y48-I68 HydrophobicContact CD2-CD1 4.1Å; Y48-I68 HydrophobicContact CD2-CG1 3.98Å; L51-I68 HydrophobicContact CD1-CD1 3.76Å; K64-I68 WeakPolarHBondContact O-CG1 3.23Å; K64-I68 PolarHBondContact O-N 3.04Å; I68-C70 PolarHBondContact O-N 3.23Å; I68-A71 PolarHBondContact O-N 3.44Å; I68-Y72 HydrophobicContact CG2-CD2 3.71Å; I68-Y72 HydrophobicContact CG2-CE2 3.87Å; I68-Y72 WeakPolarHBondContact O-CD2 3.29Å; I68-Y72 PolarHBondContact O-N 2.97Å
69G98Very high95.9Very high42 Ų4242.7 Ų42.743%0.43322%0.224SC..Hα-helixtrans-57-47.5-17800000112.7V65 I66 A73V65-G69 PolarHBondContact O-N 3.01Å; I66-G69 PolarHBondContact O-N 3.27Å; G69-A73 WeakPolarHBondContact O-CB 3.4Å; G69-A73 PolarHBondContact O-N 3.23Å
70C97.6Very high96.4Very high22 Ų2243 Ų4315%0.14924%0.235CC..Hα-helixtrans-68.7-36.6178.7-69.90000113.1I16 I66 I68 A73 T74I16-C70 HydrophobicContact CG2-CB 3.34Å; I66-C70 WeakPolarHBondContact O-CB 3.41Å; I66-C70 PolarHBondContact O-N 3.43Å; I66-C70 PolarHBondContact O-SG 2.75Å; I66-C70 VanDerWaalsContact O-SG 3.38Å; I68-C70 PolarHBondContact O-N 3.23Å; C70-A73 PolarHBondContact O-N 3.26Å; C70-T74 WeakPolarHBondContact O-CB 3.36Å; C70-T74 PolarHBondContact O-N 3.4Å; C70-T74 PolarHBondContact O-OG1 3.16Å
71A97.5Very high96.7Very high6 Ų645.8 Ų45.85%0.0525%0.245CC..Hα-helixtrans-64.8-50177.300000111.3A41 F44 Y67 I68 A73 T74 V75A41-A71 HydrophobicContact CB-CB 4.08Å; F44-A71 HydrophobicContact CD2-CB 3.72Å; F44-A71 HydrophobicContact CE2-CB 4.13Å; Y67-A71 VanDerWaalsContact O-CB 3.27Å; Y67-A71 WeakPolarHBondContact O-CB 3.41Å; Y67-A71 PolarHBondContact O-N 2.93Å; I68-A71 PolarHBondContact O-N 3.44Å; A71-A73 VanDerWaalsContact C-N 3.34Å; A71-A73 PolarHBondContact O-N 3.14Å; A71-T74 PolarHBondContact O-N 3.39Å; A71-V75 WeakPolarHBondContact O-CG2 3.4Å; A71-V75 PolarHBondContact O-N 3.03Å
72Y98.3Very high96.9Very high119 Ų11945.1 Ų45.147%0.46724%0.239SC..Hα-helixtrans-65.1-37.1176-82.1-83.4000112.5T45 I68 T74 V75 Y76T45-Y72 VanDerWaalsContact OG1-CE2 3.29Å; T45-Y72 WeakPolarHBondContact OG1-CE2 3.43Å; T45-Y72 PolarHBondContact OG1-OH 3.22Å; I68-Y72 HydrophobicContact CG2-CD2 3.71Å; I68-Y72 HydrophobicContact CG2-CE2 3.87Å; I68-Y72 WeakPolarHBondContact O-CD2 3.29Å; I68-Y72 PolarHBondContact O-N 2.97Å; Y72-T74 VanDerWaalsContact C-N 3.34Å; Y72-T74 PolarHBondContact O-N 3.38Å; Y72-V75 PolarHBondContact O-N 3.32Å; Y72-Y76 WeakPolarHBondContact O-CB 3.47Å; Y72-Y76 PolarHBondContact O-N 2.88Å
73A98.1Very high96.9Very high37 Ų3748.7 Ų48.731%0.30625%0.25SC..Hα-helixtrans-60.4-44.3172.900000111.3L20 G69 C70 A71 Y76 L77L20-A73 HydrophobicContact CD1-CB 3.96Å; G69-A73 WeakPolarHBondContact O-CB 3.4Å; G69-A73 PolarHBondContact O-N 3.23Å; C70-A73 PolarHBondContact O-N 3.26Å; A71-A73 VanDerWaalsContact C-N 3.34Å; A71-A73 PolarHBondContact O-N 3.14Å; A73-Y76 WeakPolarHBondContact O-CB 3.43Å; A73-Y76 PolarHBondContact O-N 2.79Å; A73-L77 VanDerWaalsContact O-CG 3.29Å; A73-L77 WeakPolarHBondContact O-CG 3.27Å; A73-L77 PolarHBondContact O-N 3.44Å
74T97.6Very high97.1Very high2 Ų253 Ų531%0.01229%0.288CS..Hα-helixtrans-61.8-46.4177.5-56.80000111.2L19 L20 I23 Q37 C70 A71 Y72 Y76 L77 I78L19-T74 HydrophobicContact CD2-CG2 3.99Å; L19-T74 HydrophobicContact CG-CG2 4.32Å; L20-T74 WeakPolarHBondContact CD1-OG1 3.47Å; I23-T74 HydrophobicContact CD1-CG2 3.98Å; Q37-T74 HydrophobicContact CB-CG2 4.38Å; Q37-T74 HydrophobicContact CG-CG2 3.9Å; C70-T74 WeakPolarHBondContact O-CB 3.36Å; C70-T74 PolarHBondContact O-N 3.4Å; C70-T74 PolarHBondContact O-OG1 3.16Å; A71-T74 PolarHBondContact O-N 3.39Å; Y72-T74 VanDerWaalsContact C-N 3.34Å; Y72-T74 PolarHBondContact O-N 3.38Å; T74-Y76 VanDerWaalsContact C-N 3.34Å; T74-Y76 PolarHBondContact O-N 2.96Å; T74-L77 PolarHBondContact O-N 3.02Å; T74-I78 HydrophobicContact CG2-CD1 4.03Å; T74-I78 WeakPolarHBondContact O-CG1 3.42Å; T74-I78 PolarHBondContact O-N 3.38Å
75V98.3Very high97.1Very high28 Ų2854.8 Ų54.817%0.1730%0.3CS..Hα-helixtrans-58.7-45.4175.3173.10000111.1Q37 I38 A41 A71 Y72 L77 I78 Y79Q37-V75 HydrophobicContact CB-CG2 4.06Å; I38-V75 HydrophobicContact CG1-CG1 4.19Å; I38-V75 HydrophobicContact CG1-CG2 4.3Å; A41-V75 HydrophobicContact CB-CG2 4.15Å; A71-V75 WeakPolarHBondContact O-CG2 3.4Å; A71-V75 PolarHBondContact O-N 3.03Å; Y72-V75 PolarHBondContact O-N 3.32Å; V75-L77 VanDerWaalsContact C-N 3.35Å; V75-L77 PolarHBondContact O-N 3.42Å; V75-I78 PolarHBondContact O-N 3.12Å; V75-Y79 HydrophobicContact CG1-CD2 3.93Å; V75-Y79 HydrophobicContact CG1-CE2 4.47Å; V75-Y79 PolarHBondContact O-N 2.84Å
76Y98.4Very high97.1Very high123 Ų12352.9 Ų52.948%0.48228%0.284SS..Hα-helixtrans-60.9-41.4175.8168.9-96.2000112.5Y72 A73 T74 I78 T80 K81Y72-Y76 WeakPolarHBondContact O-CB 3.47Å; Y72-Y76 PolarHBondContact O-N 2.88Å; A73-Y76 WeakPolarHBondContact O-CB 3.43Å; A73-Y76 PolarHBondContact O-N 2.79Å; T74-Y76 VanDerWaalsContact C-N 3.34Å; T74-Y76 PolarHBondContact O-N 2.96Å; Y76-I78 VanDerWaalsContact C-N 3.32Å; Y76-I78 PolarHBondContact O-N 3.47Å; Y76-T80 HydrophobicContact CD2-CG2 4.18Å; Y76-T80 HydrophobicContact CE2-CG2 3.67Å; Y76-T80 WeakPolarHBondContact O-CA 3.34Å; Y76-T80 VanDerWaalsContact O-CB 3.28Å; Y76-T80 WeakPolarHBondContact O-CB 3.35Å; Y76-T80 PolarHBondContact O-N 3.22Å; Y76-K81 HydrophobicContact CE1-CB 4.02Å; Y76-K81 HydrophobicContact CE1-CD 4.26Å; Y76-K81 PolarHBondContact O-N 2.83Å
77L97.9Very high96.8Very high8 Ų852.1 Ų52.14%0.04228%0.28CS..Iπ-helixtrans-63.2-39.2177.2-69.9-173.7000111.8L20 I23 W24 A73 T74 V75 K81 F82L20-L77 HydrophobicContact CD1-CD1 3.68Å; L20-L77 HydrophobicContact CG-CD1 4.47Å; I23-L77 HydrophobicContact CB-CD1 4.26Å; I23-L77 HydrophobicContact CG2-CB 3.83Å; I23-L77 HydrophobicContact CG2-CD1 3.92Å; I23-L77 HydrophobicContact CG2-CG 4.49Å; W24-L77 HydrophobicContact CE3-CD1 4.4Å; W24-L77 HydrophobicContact CE3-CD2 4.04Å; W24-L77 HydrophobicContact CZ3-CD2 4.21Å; A73-L77 VanDerWaalsContact O-CG 3.29Å; A73-L77 WeakPolarHBondContact O-CG 3.27Å; A73-L77 PolarHBondContact O-N 3.44Å; T74-L77 PolarHBondContact O-N 3.02Å; V75-L77 VanDerWaalsContact C-N 3.35Å; V75-L77 PolarHBondContact O-N 3.42Å; L77-K81 HydrophobicContact CD2-CB 4Å; L77-K81 HydrophobicContact CD2-CD 3.69Å; L77-K81 HydrophobicContact CD2-CG 4.33Å; L77-F82 HydrophobicContact CB-CD2 4.15Å; L77-F82 HydrophobicContact CD2-CD2 4.2Å; L77-F82 HydrophobicContact CD2-CE2 3.84Å; L77-F82 WeakPolarHBondContact O-CA 3.46Å; L77-F82 WeakPolarHBondContact O-CB 3.28Å; L77-F82 PolarHBondContact O-N 2.83Å
78I97.4Very high96.6Very high0 Ų053.4 Ų53.40%030%0.296CS..Iπ-helixtrans-74-52.7-178.8-65169.7000111.4I23 C29 I32 Q37 T74 V75 Y76 K83 Y86I23-I78 HydrophobicContact CD1-CD1 4.33Å; I23-I78 HydrophobicContact CD1-CG1 4.13Å; C29-I78 HydrophobicContact CB-CG1 3.89Å; I32-I78 HydrophobicContact CG2-CD1 3.93Å; Q37-I78 HydrophobicContact CB-CD1 4.12Å; Q37-I78 HydrophobicContact CG-CD1 3.62Å; T74-I78 HydrophobicContact CG2-CD1 4.03Å; T74-I78 WeakPolarHBondContact O-CG1 3.42Å; T74-I78 PolarHBondContact O-N 3.38Å; V75-I78 PolarHBondContact O-N 3.12Å; Y76-I78 VanDerWaalsContact C-N 3.32Å; Y76-I78 PolarHBondContact O-N 3.47Å; I78-K83 VanDerWaalsContact O-CA 3.23Å; I78-K83 WeakPolarHBondContact O-CA 3.33Å; I78-K83 PolarHBondContact O-N 2.98Å; I78-Y86 HydrophobicContact CG2-CD2 3.62Å; I78-Y86 HydrophobicContact CG2-CE2 4.13Å; I78-Y86 HydrophobicContact CG2-CG 3.98Å
79Y97.7Very high96.3Very high65 Ų6558.1 Ų58.126%0.25532%0.322SS..Iπ-helixtrans-90.1-14.8-169.8-72-76.8000114.7G34 K35 I38 V75 K83 Y86G34-Y79 WeakPolarHBondContact CA-OH 3.41Å; G34-Y79 PolarHBondContact O-OH 2.95Å; K35-Y79 PolarHBondContact N-OH 3.35Å; I38-Y79 HydrophobicContact CD1-CD2 4.32Å; I38-Y79 HydrophobicContact CD1-CE2 3.45Å; I38-Y79 VanDerWaalsContact CD1-CE2 3.45Å; I38-Y79 WeakPolarHBondContact CD1-OH 3.41Å; I38-Y79 HydrophobicContact CG1-CE2 3.81Å; V75-Y79 HydrophobicContact CG1-CD2 3.93Å; V75-Y79 HydrophobicContact CG1-CE2 4.47Å; V75-Y79 PolarHBondContact O-N 2.84Å; Y79-K83 WeakPolarHBondContact O-CD 3.36Å; Y79-Y86 HydrophobicContact CD1-CE1 4.48Å; Y79-Y86 HydrophobicContact CE1-CD1 4.39Å; Y79-Y86 AromaticContact CE1-CE1 3.81Å; Y79-Y86 HydrophobicContact CE1-CE1 3.81Å
80T97.4Very high95.9Very high90 Ų9059.6 Ų59.655%0.55232%0.318SS*.Iπ-helixtrans-120.7-64.5-178.6-51.20000111.5Y76Y76-T80 HydrophobicContact CD2-CG2 4.18Å; Y76-T80 HydrophobicContact CE2-CG2 3.67Å; Y76-T80 WeakPolarHBondContact O-CA 3.34Å; Y76-T80 VanDerWaalsContact O-CB 3.28Å; Y76-T80 WeakPolarHBondContact O-CB 3.35Å; Y76-T80 PolarHBondContact O-N 3.22Å
81K96.8Very high95.8Very high91 Ų9158.7 Ų58.740%0.39631%0.311SS..Iπ-helixtrans-72.4-43.3-167.8-169.5165.2-172.3157.80114.1W24 Y76 L77W24-K81 HydrophobicContact CZ3-CD 4.17Å; W24-K81 VanDerWaalsContact CZ3-NZ 3.33Å; Y76-K81 HydrophobicContact CE1-CB 4.02Å; Y76-K81 HydrophobicContact CE1-CD 4.26Å; Y76-K81 PolarHBondContact O-N 2.83Å; L77-K81 HydrophobicContact CD2-CB 4Å; L77-K81 HydrophobicContact CD2-CD 3.69Å; L77-K81 HydrophobicContact CD2-CG 4.33Å
82F97.1Very high95.7Very high23 Ų2361 Ų6110%0.10133%0.325CS..THydrogen-bonded Turntrans-117.226.5-178.2-55.9-60.4000112.3I23 R27 C29 L77 A84 T85I23-F82 HydrophobicContact CG2-CD2 3.57Å; I23-F82 HydrophobicContact CG2-CE2 4.02Å; R27-F82 HydrophobicContact CB-CD1 4.28Å; R27-F82 HydrophobicContact CB-CE1 3.73Å; R27-F82 HydrophobicContact CB-CZ 4.2Å; R27-F82 VanDerWaalsContact CD-CZ 3.49Å; R27-F82 HydrophobicContact CG-CE1 4.3Å; R27-F82 HydrophobicContact CG-CZ 4.48Å; R27-F82 VanDerWaalsContact O-CD1 3.22Å; R27-F82 WeakPolarHBondContact O-CD1 3.22Å; C29-F82 PolarHBondContact SG-O 2.95Å; L77-F82 HydrophobicContact CB-CD2 4.15Å; L77-F82 HydrophobicContact CD2-CD2 4.2Å; L77-F82 HydrophobicContact CD2-CE2 3.84Å; L77-F82 WeakPolarHBondContact O-CA 3.46Å; L77-F82 WeakPolarHBondContact O-CB 3.28Å; L77-F82 PolarHBondContact O-N 2.83Å; F82-A84 PolarHBondContact O-N 3.05Å; F82-T85 PolarHBondContact O-N 3.38Å; F82-T85 PolarHBondContact O-OG1 3.39Å
83K95.6Very high95.5Very high138 Ų13857.3 Ų57.360%0.631%0.311SS*.G310 helixtrans-50.1-34.5-179.8-173.6-175.9-178.4175.40113.6I78 Y79 T85 Y86I78-K83 VanDerWaalsContact O-CA 3.23Å; I78-K83 WeakPolarHBondContact O-CA 3.33Å; I78-K83 PolarHBondContact O-N 2.98Å; Y79-K83 WeakPolarHBondContact O-CD 3.36Å; K83-T85 PolarHBondContact O-N 3.4Å; K83-T85 VanDerWaalsContact O-N 3.16Å; K83-Y86 WeakPolarHBondContact O-CB 3.15Å; K83-Y86 PolarHBondContact O-N 3.38Å; K83-Y86 VanDerWaalsContact O-N 3.09Å
84A96.1Very high95.5Very high108 Ų10862.6 Ų62.689%0.89332%0.323SS*.G310 helixtrans-60.8-22.7178.700000113.9F82F82-A84 PolarHBondContact O-N 3.05Å
85T94.6Very high95.4Very high48 Ų4864 Ų6429%0.29433%0.332SS..G310 helixtrans-100.8-2.1179.163.10000113.2S28 C29 A30 F82 K83S28-T85 WeakPolarHBondContact CA-OG1 3.07Å; C29-T85 PolarHBondContact N-OG1 2.91Å; C29-T85 PolarHBondContact SG-OG1 3.15Å; A30-T85 PolarHBondContact N-O 3.28Å; F82-T85 PolarHBondContact O-N 3.38Å; F82-T85 PolarHBondContact O-OG1 3.39Å; K83-T85 PolarHBondContact O-N 3.4Å; K83-T85 VanDerWaalsContact O-N 3.16Å
86Y95.5Very high95.4Very high46 Ų4667.6 Ų67.618%0.1835%0.347CS..  trans-77.4124.1179.6172.1-119.1000110.2I78 Y79 K83 G88 D91I78-Y86 HydrophobicContact CG2-CD2 3.62Å; I78-Y86 HydrophobicContact CG2-CE2 4.13Å; I78-Y86 HydrophobicContact CG2-CG 3.98Å; Y79-Y86 HydrophobicContact CD1-CE1 4.48Å; Y79-Y86 HydrophobicContact CE1-CD1 4.39Å; Y79-Y86 AromaticContact CE1-CE1 3.81Å; Y79-Y86 HydrophobicContact CE1-CE1 3.81Å; K83-Y86 WeakPolarHBondContact O-CB 3.15Å; K83-Y86 PolarHBondContact O-N 3.38Å; K83-Y86 VanDerWaalsContact O-N 3.09Å; Y86-G88 PolarHBondContact O-N 3.09Å; Y86-D91 HydrophobicContact CE2-CB 4.13Å; Y86-D91 WeakPolarHBondContact CE2-OD2 3.47Å; Y86-D91 WeakPolarHBondContact OH-CB 3.37Å; Y86-D91 PolarHBondContact OH-OD2 2.95Å
87D91Very high95.3Very high47 Ų4767.8 Ų67.825%0.25135%0.35SS..  trans-93.376.8-177.2-170.5-8.8000111.7N89 H90 D91 M137D87-N89 PolarHBondContact O-N 3.22Å; D87-N89 PolarHBondContact OD1-N 3.34Å; D87-H90 PolarHBondContact O-N 2.84Å; D87-H90 IonicContact OD1-CG 3.43Å; D87-H90 PolarHBondContact OD1-N 3.05Å; D87-H90 IonicContact OD1-ND1 3.74Å; D87-H90 PolarHBondContact OD1-ND1 3.21Å; D87-H90 IonicContact OD2-CE1 3.6Å; D87-H90 IonicContact OD2-CG 2.88Å; D87-H90 IonicContact OD2-ND1 3.48Å; D87-H90 PolarHBondContact OD2-ND1 3.26Å; D87-D91 PolarHBondContact O-N 3.47Å; D87-D91 VanDerWaalsContact O-N 3.11Å; D87-M137 HydrophobicContact CB-CE 3.8Å
88G90.2Very high95.2Very high36 Ų3668.3 Ų68.337%0.37135%0.353SS..THydrogen-bonded Turntrans-65.3-20.6177.900000114.1Y86Y86-G88 PolarHBondContact O-N 3.09Å
89N90.6Very high95.2Very high142 Ų14270.4 Ų70.476%0.75937%0.366SS*.THydrogen-bonded Turntrans-73.5-31.2179.3-69.2-26.7000111.9D87 T92D87-N89 PolarHBondContact O-N 3.22Å; D87-N89 PolarHBondContact OD1-N 3.34Å; N89-T92 WeakPolarHBondContact O-CG2 3.41Å
90H90.3Very high95.2Very high73 Ų7372.4 Ų72.434%0.33839%0.385SS..THydrogen-bonded Turntrans-92.3-27.3174.7-6593.1000112.6D87 T92 M137 T141D87-H90 PolarHBondContact O-N 2.84Å; D87-H90 IonicContact OD1-CG 3.43Å; D87-H90 PolarHBondContact OD1-N 3.05Å; D87-H90 IonicContact OD1-ND1 3.74Å; D87-H90 PolarHBondContact OD1-ND1 3.21Å; D87-H90 IonicContact OD2-CE1 3.6Å; D87-H90 IonicContact OD2-CG 2.88Å; D87-H90 IonicContact OD2-ND1 3.48Å; D87-H90 PolarHBondContact OD2-ND1 3.26Å; H90-T92 PolarHBondContact O-N 3.13Å; H90-T92 PolarHBondContact O-OG1 2.78Å; H90-M137 HydrophobicContact CB-CE 4.2Å; H90-M137 HydrophobicContact CB-CG 4.19Å; H90-T141 HydrophobicContact CB-CG2 3.87Å
91D94.6Very high95.2Very high2 Ų271.8 Ų71.81%0.01138%0.382CS..  trans-77.859.3175.2-164.314.3000112.9S33 G34 K35 Y86 D87 M137S33-D91 WeakPolarHBondContact CA-OD2 3.43Å; S33-D91 VanDerWaalsContact OG-CG 3.25Å; S33-D91 PolarHBondContact OG-OD1 3.39Å; S33-D91 PolarHBondContact OG-OD2 2.77Å; G34-D91 PolarHBondContact N-OD2 3.3Å; K35-D91 VanDerWaalsContact CE-O 3.27Å; K35-D91 WeakPolarHBondContact CE-O 3.37Å; K35-D91 PolarHBondContact N-OD2 3.43Å; K35-D91 VanDerWaalsContact N-OD2 3.09Å; K35-D91 PolarHBondContact NZ-O 3.3Å; Y86-D91 HydrophobicContact CE2-CB 4.13Å; Y86-D91 WeakPolarHBondContact CE2-OD2 3.47Å; Y86-D91 WeakPolarHBondContact OH-CB 3.37Å; Y86-D91 PolarHBondContact OH-OD2 2.95Å; D87-D91 PolarHBondContact O-N 3.47Å; D87-D91 VanDerWaalsContact O-N 3.11Å; D91-M137 HydrophobicContact CB-SD 4.26Å
92T95.6Very high95.3Very high56 Ų5668.2 Ų68.234%0.34437%0.368SS..  trans-97.34-169.343.90000114.7N89 H90 R94 K140N89-T92 WeakPolarHBondContact O-CG2 3.41Å; H90-T92 PolarHBondContact O-N 3.13Å; H90-T92 PolarHBondContact O-OG1 2.78Å; T92-R94 PolarHBondContact O-N 2.86Å; T92-K140 PolarHBondContact OG1-NZ 3.16Å
93F95.4Very high95.3Very high40 Ų4067.9 Ų67.918%0.17537%0.371CS..  trans-61.4134.3179-167.2-81.2000111.2K35 V95 L98 L132 P133 F136K35-F93 VanDerWaalsContact CD-O 3.23Å; K35-F93 WeakPolarHBondContact CD-O 3.26Å; K35-F93 WeakPolarHBondContact CE-O 3.4Å; K35-F93 PolarHBondContact NZ-O 3.42Å; F93-V95 HydrophobicContact CD1-CG1 4.4Å; F93-V95 PolarHBondContact O-N 2.91Å; F93-L98 HydrophobicContact CD1-CD1 4.38Å; F93-L98 HydrophobicContact CE1-CD1 3.53Å; F93-L98 HydrophobicContact CE1-CD2 4.22Å; F93-L98 HydrophobicContact CE1-CG 3.71Å; F93-L98 HydrophobicContact CZ-CD1 4.05Å; F93-L98 HydrophobicContact CZ-CD2 4.16Å; F93-L98 HydrophobicContact CZ-CG 4.17Å; F93-L132 HydrophobicContact CE2-CB 4.14Å; F93-L132 HydrophobicContact CZ-CB 4.07Å; F93-L132 HydrophobicContact CZ-CD1 4.42Å; F93-P133 HydrophobicContact CB-CB 3.91Å; F93-P133 HydrophobicContact CB-CG 4.24Å; F93-P133 HydrophobicContact CD1-CB 4.39Å; F93-P133 HydrophobicContact CD1-CG 3.79Å; F93-P133 HydrophobicContact CE1-CG 4.44Å; F93-P133 HydrophobicContact CG-CB 4.2Å; F93-P133 HydrophobicContact CG-CG 4.07Å; F93-F136 HydrophobicContact CB-CD1 4.02Å; F93-F136 HydrophobicContact CB-CG 4.47Å; F93-F136 HydrophobicContact CD2-CB 3.8Å; F93-F136 HydrophobicContact CD2-CD1 4.15Å; F93-F136 HydrophobicContact CD2-CD2 4.23Å; F93-F136 AromaticContact CD2-CG 3.81Å; F93-F136 HydrophobicContact CD2-CG 3.81Å
94R96.8Very high95.4Very high148 Ų14862.9 Ų62.956%0.55836%0.359SS*.  trans-89.397.5-179.6-74-174.164.2-170.84.2110.2T92 E96 F97T92-R94 PolarHBondContact O-N 2.86Å; R94-E96 WeakPolarHBondContact CA-OE2 3.47Å; R94-E96 WeakPolarHBondContact CB-OE2 3.29Å; R94-E96 PolarHBondContact O-N 3.41Å; R94-F97 HydrophobicContact CB-CD2 3.53Å; R94-F97 HydrophobicContact CB-CE2 3.73Å; R94-F97 HydrophobicContact CG-CE2 4.35Å; R94-F97 PolarHBondContact O-N 3.29Å
95V96.9Very high95.4Very high33 Ų3361.4 Ų61.420%0.234%0.336CS..THydrogen-bonded Turntrans-67.7-17.6-173.8-65.60000113.4K35 L39 F93 F97 L98 V99 P133K35-V95 HydrophobicContact CB-CG1 3.85Å; K35-V95 HydrophobicContact CD-CG1 4.09Å; K35-V95 HydrophobicContact CG-CG1 4.15Å; L39-V95 HydrophobicContact CD1-CG1 4.14Å; L39-V95 HydrophobicContact CD2-CB 4.42Å; L39-V95 HydrophobicContact CG-CG1 4.45Å; F93-V95 HydrophobicContact CD1-CG1 4.4Å; F93-V95 PolarHBondContact O-N 2.91Å; V95-F97 PolarHBondContact O-N 2.94Å; V95-L98 WeakPolarHBondContact O-CB 3.37Å; V95-L98 PolarHBondContact O-N 3.25Å; V95-V99 PolarHBondContact O-N 3.45Å; V95-P133 HydrophobicContact CG1-CG 4.13Å
96E96.5Very high95.5Very high102 Ų10259.1 Ų59.148%0.47732%0.321SS..Hα-helixtrans-60.2-35.4176.7-53.381.8179.500111R94 L98 V100R94-E96 WeakPolarHBondContact CA-OE2 3.47Å; R94-E96 WeakPolarHBondContact CB-OE2 3.29Å; R94-E96 PolarHBondContact O-N 3.41Å; E96-L98 PolarHBondContact O-N 2.9Å; E96-V100 WeakPolarHBondContact O-CB 3.28Å; E96-V100 WeakPolarHBondContact O-CG2 3.4Å; E96-V100 PolarHBondContact O-N 2.99Å
97F96.3Very high95.6Very high128 Ų12862.7 Ų62.756%0.56134%0.338SS*.Hα-helixtrans-70.1-8.9175.2-63.6-58000113.9R94 V95 P101R94-F97 HydrophobicContact CB-CD2 3.53Å; R94-F97 HydrophobicContact CB-CE2 3.73Å; R94-F97 HydrophobicContact CG-CE2 4.35Å; R94-F97 PolarHBondContact O-N 3.29Å; V95-F97 PolarHBondContact O-N 2.94Å; F97-P101 WeakPolarHBondContact O-CD 3.44Å; F97-P101 VanDerWaalsContact O-CG 3.3Å; F97-P101 WeakPolarHBondContact O-CG 3.46Å
98L96.9Very high95.9Very high18 Ų1867.5 Ų67.59%0.09436%0.363CS..Hα-helixtrans-100-54.1170.1-56.6179.9000110L39 F93 V95 E96 V100 P101 V102 V129 L132L39-L98 HydrophobicContact CD1-CD1 3.97Å; F93-L98 HydrophobicContact CD1-CD1 4.38Å; F93-L98 HydrophobicContact CE1-CD1 3.53Å; F93-L98 HydrophobicContact CE1-CD2 4.22Å; F93-L98 HydrophobicContact CE1-CG 3.71Å; F93-L98 HydrophobicContact CZ-CD1 4.05Å; F93-L98 HydrophobicContact CZ-CD2 4.16Å; F93-L98 HydrophobicContact CZ-CG 4.17Å; V95-L98 WeakPolarHBondContact O-CB 3.37Å; V95-L98 PolarHBondContact O-N 3.25Å; E96-L98 PolarHBondContact O-N 2.9Å; L98-V100 PolarHBondContact O-N 3.06Å; L98-P101 WeakPolarHBondContact O-CD 3.28Å; L98-V102 WeakPolarHBondContact O-CB 3.16Å; L98-V102 WeakPolarHBondContact O-CG2 3.47Å; L98-V102 PolarHBondContact O-N 3.15Å; L98-V129 HydrophobicContact CB-CG2 4.2Å; L98-V129 HydrophobicContact CD1-CB 4.41Å; L98-V129 HydrophobicContact CD1-CG2 4.29Å; L98-V129 HydrophobicContact CD2-CB 4.16Å; L98-V129 HydrophobicContact CD2-CG2 4.16Å; L98-V129 HydrophobicContact CG-CG2 4.43Å; L98-L132 HydrophobicContact CD1-CB 4.31Å; L98-L132 HydrophobicContact CD1-CD1 4.29Å; L98-L132 HydrophobicContact CD2-CD1 3.78Å
99V97.6Very high96.2Very high45 Ų4569.1 Ų69.127%0.27337%0.365SS..Hα-helixtrans-63.7-41.9-171.81780000111.9L39 V95 G103 F122 L126L39-V99 HydrophobicContact CD2-CG2 3.79Å; V95-V99 PolarHBondContact O-N 3.45Å; V99-G103 PolarHBondContact O-N 3.05Å; V99-F122 HydrophobicContact CG1-CE2 4.43Å; V99-F122 HydrophobicContact CG1-CZ 4.29Å; V99-L126 HydrophobicContact CG2-CD1 4.26Å
100V97.6Very high96.4Very high107 Ų10764.1 Ų64.165%0.64834%0.339SS*.Hα-helixtrans-69.4-51.4-177.8175.80000111.8E96 L98 V102 G103 G104E96-V100 WeakPolarHBondContact O-CB 3.28Å; E96-V100 WeakPolarHBondContact O-CG2 3.4Å; E96-V100 PolarHBondContact O-N 2.99Å; L98-V100 PolarHBondContact O-N 3.06Å; V100-V102 PolarHBondContact O-N 3.44Å; V100-G103 PolarHBondContact O-N 3.46Å; V100-G104 PolarHBondContact O-N 3.04Å
101P97.8Very high96.6Very high77 Ų7765.4 Ų65.450%0.535%0.345SS..Hα-helixtrans-64.1-38.2177-25.838.3000113.2F97 L98 G104 L105F97-P101 WeakPolarHBondContact O-CD 3.44Å; F97-P101 VanDerWaalsContact O-CG 3.3Å; F97-P101 WeakPolarHBondContact O-CG 3.46Å; L98-P101 WeakPolarHBondContact O-CD 3.28Å; P101-G104 PolarHBondContact O-N 3.37Å; P101-L105 WeakPolarHBondContact O-CB 3.36Å; P101-L105 PolarHBondContact O-N 3.27Å
102V97.5Very high96.6Very high15 Ų1569.8 Ų69.89%0.09137%0.368CS..Hα-helixtrans-65.5-40.7176.4167.50000111.4L98 V100 L105 A106 F122 L126 V129L98-V102 WeakPolarHBondContact O-CB 3.16Å; L98-V102 WeakPolarHBondContact O-CG2 3.47Å; L98-V102 PolarHBondContact O-N 3.15Å; V100-V102 PolarHBondContact O-N 3.44Å; V102-L105 PolarHBondContact O-N 3.47Å; V102-A106 WeakPolarHBondContact O-CB 3.43Å; V102-A106 PolarHBondContact O-N 3.2Å; V102-F122 HydrophobicContact CB-CE2 4.49Å; V102-F122 HydrophobicContact CG1-CD2 3.71Å; V102-F122 HydrophobicContact CG1-CE2 3.86Å; V102-L126 HydrophobicContact CG1-CB 3.94Å; V102-V129 HydrophobicContact CG2-CG2 4.11Å
103G97.5Very high96.6Very high16 Ų1674 Ų7417%0.16538%0.382CS..Hα-helixtrans-59-51.5172.700000111.6V99 V100 L105 A106 F107V99-G103 PolarHBondContact O-N 3.05Å; V100-G103 PolarHBondContact O-N 3.46Å; G103-L105 VanDerWaalsContact C-N 3.35Å; G103-L105 PolarHBondContact O-N 2.84Å; G103-A106 PolarHBondContact O-N 3.22Å; G103-F107 WeakPolarHBondContact O-CD2 3.37Å; G103-F107 PolarHBondContact O-N 2.63Å; G103-F107 VanDerWaalsContact O-N 3.13Å
104G97.6Very high96.6Very high34 Ų3473.8 Ų73.835%0.35139%0.386SS..Hα-helixtrans-57.7-46175.900000112.6V100 P101 A106 F107 L108V100-G104 PolarHBondContact O-N 3.04Å; P101-G104 PolarHBondContact O-N 3.37Å; G104-A106 PolarHBondContact O-N 2.89Å; G104-F107 PolarHBondContact O-N 3.25Å; G104-L108 VanDerWaalsContact O-CG 3.28Å; G104-L108 WeakPolarHBondContact O-CG 3.21Å; G104-L108 PolarHBondContact O-N 2.95Å
105L97.3Very high96.5Very high77 Ų7771.8 Ų71.840%0.40339%0.391SS..Hα-helixtrans-63.1-41.4179.1-173.464.7000112.1P101 V102 G103 F107 L108 V109 Y125P101-L105 WeakPolarHBondContact O-CB 3.36Å; P101-L105 PolarHBondContact O-N 3.27Å; V102-L105 PolarHBondContact O-N 3.47Å; G103-L105 VanDerWaalsContact C-N 3.35Å; G103-L105 PolarHBondContact O-N 2.84Å; L105-F107 VanDerWaalsContact C-N 3.3Å; L105-F107 PolarHBondContact O-N 2.93Å; L105-L108 PolarHBondContact O-N 3Å; L105-V109 HydrophobicContact CD1-CB 4.22Å; L105-V109 HydrophobicContact CD1-CG2 3.82Å; L105-V109 PolarHBondContact O-N 3.38Å; L105-Y125 HydrophobicContact CB-CD2 4.25Å; L105-Y125 HydrophobicContact CB-CE2 4.28Å; L105-Y125 HydrophobicContact CD2-CD1 4.44Å; L105-Y125 HydrophobicContact CD2-CD2 3.9Å; L105-Y125 HydrophobicContact CD2-CE1 4.39Å; L105-Y125 HydrophobicContact CD2-CE2 3.84Å; L105-Y125 HydrophobicContact CD2-CG 4.22Å; L105-Y125 HydrophobicContact CG-CD2 3.96Å; L105-Y125 HydrophobicContact CG-CE2 3.63Å
106A97.1Very high96.4Very high0 Ų074.5 Ų74.50%040%0.404CS..Hα-helixtrans-64.7-33.1177.400000113V102 G103 G104 N110 T121 F122 Y125V102-A106 WeakPolarHBondContact O-CB 3.43Å; V102-A106 PolarHBondContact O-N 3.2Å; G103-A106 PolarHBondContact O-N 3.22Å; G104-A106 PolarHBondContact O-N 2.89Å; A106-N110 PolarHBondContact O-ND2 3.04Å; A106-T121 HydrophobicContact CB-CG2 4.17Å; A106-F122 HydrophobicContact CB-CB 3.72Å; A106-Y125 HydrophobicContact CB-CD2 4.15Å; A106-Y125 HydrophobicContact CB-CE2 4.47Å
107F96.3Very high96.3Very high120 Ų12072 Ų7253%0.52639%0.393SS..Hα-helixtrans-72-34.8173.2-93.1-89.4000112.8G103 G104 L105 N110 F113 I118G103-F107 WeakPolarHBondContact O-CD2 3.37Å; G103-F107 PolarHBondContact O-N 2.63Å; G103-F107 VanDerWaalsContact O-N 3.13Å; G104-F107 PolarHBondContact O-N 3.25Å; L105-F107 VanDerWaalsContact C-N 3.3Å; L105-F107 PolarHBondContact O-N 2.93Å; F107-N110 PolarHBondContact O-ND2 3.49Å; F107-F113 HydrophobicContact CD1-CE2 4.2Å; F107-F113 HydrophobicContact CD1-CZ 4.18Å; F107-F113 WeakPolarHBondContact O-CE2 3.45Å; F107-I118 HydrophobicContact CD1-CD1 4.13Å; F107-I118 HydrophobicContact CD1-CG2 4.43Å; F107-I118 HydrophobicContact CD2-CG2 3.9Å; F107-I118 HydrophobicContact CE1-CD1 4.1Å; F107-I118 HydrophobicContact CE1-CG2 4.42Å; F107-I118 HydrophobicContact CE2-CG2 3.9Å; F107-I118 HydrophobicContact CG-CG2 4.18Å; F107-I118 HydrophobicContact CZ-CG2 4.17Å
108L96.8Very high96.3Very high149 Ų14966.6 Ų66.678%0.7837%0.369SS*.Hα-helixtrans-86.7-33.3-176.6-66.2173.1000113.5G104 L105G104-L108 VanDerWaalsContact O-CG 3.28Å; G104-L108 WeakPolarHBondContact O-CG 3.21Å; G104-L108 PolarHBondContact O-N 2.95Å; L105-L108 PolarHBondContact O-N 3Å
109V97.1Very high96.3Very high69 Ų6968.7 Ų68.742%0.41838%0.38SS..SBendtrans-129.796.8-174-174.20000108.3L105 T121 Y125L105-V109 HydrophobicContact CD1-CB 4.22Å; L105-V109 HydrophobicContact CD1-CG2 3.82Å; L105-V109 PolarHBondContact O-N 3.38Å; V109-T121 WeakPolarHBondContact O-CG2 3.45Å; V109-Y125 WeakPolarHBondContact CG1-OH 3.32Å; V109-Y125 PolarHBondContact O-OH 3.45Å
110N96Very high96.3Very high37 Ų3769.7 Ų69.720%0.19838%0.379CS..  trans-143.9168.4177.149.672.1000109.5A106 F107 D112 T121A106-N110 PolarHBondContact O-ND2 3.04Å; F107-N110 PolarHBondContact O-ND2 3.49Å; N110-D112 PolarHBondContact OD1-O 3.19Å; N110-D112 VanDerWaalsContact OD1-O 3.07Å; N110-T121 HydrophobicContact CB-CG2 4.29Å
111H92.8Very high96.3Very high101 Ų10164.6 Ų64.647%0.46835%0.349SS..SBendtrans-77.8-34176.6-65.7-56.8000112.6E117 W120 D177H111-E117 HydrophobicContact CB-CG 4.36Å; H111-E117 IonicContact CD2-OE1 2.78Å; H111-E117 PolarHBondContact CD2-OE1 3.06Å; H111-E117 IonicContact CG-OE1 3.87Å; H111-W120 AromaticContact CD2-CZ3 3.92Å; H111-D177 IonicContact CE1-OD1 3.79Å; H111-D177 PolarHBondContact CE1-OD1 3.14Å; H111-D177 IonicContact NE2-OD1 2.69Å; H111-D177 PolarHBondContact NE2-OD1 3.21Å; H111-D177 IonicContact NE2-OD2 2.66Å
112D94.6Very high96.4Very high94 Ų9462.1 Ų62.150%0.50333%0.33SS..SBendtrans-148.7143.7178.6178.746000110.7N110 S114 E117N110-D112 PolarHBondContact OD1-O 3.19Å; N110-D112 VanDerWaalsContact OD1-O 3.07Å; D112-S114 PolarHBondContact O-N 2.86Å; D112-S114 WeakPolarHBondContact OD2-CB 3.16Å; D112-S114 PolarHBondContact OD2-OG 3.28Å; D112-E117 HydrophobicContact CB-CB 4.39Å; D112-E117 HydrophobicContact CB-CG 4.1Å; D112-E117 WeakPolarHBondContact O-CB 3.26Å
113F95.7Very high96.4Very high144 Ų14461.4 Ų61.463%0.63233%0.326SS*.SBendtrans-86.555.9-176.4-158.5-99.2000111.5F107 I118F107-F113 HydrophobicContact CD1-CE2 4.2Å; F107-F113 HydrophobicContact CD1-CZ 4.18Å; F107-F113 WeakPolarHBondContact O-CE2 3.45Å; F113-I118 HydrophobicContact CD2-CD1 3.94Å; F113-I118 HydrophobicContact CE2-CD1 3.93Å; F113-I118 HydrophobicContact CG-CD1 4.3Å; F113-I118 HydrophobicContact CZ-CD1 4.27Å
114S95.4Very high96.4Very high36 Ų3661.5 Ų61.525%0.25232%0.322SS..SBendtrans-115.8149.4175.161.70000111.1D112 L116 E117 I118D112-S114 PolarHBondContact O-N 2.86Å; D112-S114 WeakPolarHBondContact OD2-CB 3.16Å; D112-S114 PolarHBondContact OD2-OG 3.28Å; S114-L116 VanDerWaalsContact C-N 3.29Å; S114-L116 PolarHBondContact O-N 3.44Å; S114-E117 PolarHBondContact O-N 2.87Å; S114-E117 VanDerWaalsContact O-N 3.14Å; S114-E117 WeakPolarHBondContact OG-CB 3.38Å; S114-I118 WeakPolarHBondContact O-CG1 3.37Å; S114-I118 PolarHBondContact O-N 2.96Å
115P94.8Very high96.4Very high105 Ų10561 Ų6168%0.68231%0.31SS*.Hα-helixtrans-56.5-39.2-174.9-28.135.4000114.2L119P115-L119 WeakPolarHBondContact O-CB 3.42Å; P115-L119 WeakPolarHBondContact O-CD1 3.43Å; P115-L119 VanDerWaalsContact O-CG 3.22Å; P115-L119 WeakPolarHBondContact O-CG 3.29Å; P115-L119 PolarHBondContact O-N 3.42Å; P115-L119 VanDerWaalsContact O-N 3.1Å
116L94.5Very high96.4Very high90 Ų9057.3 Ų57.347%0.47129%0.291SS..Hα-helixtrans-69.1-41178.8-70.2176.5000111.9L49 S114 L119 W120L49-L116 HydrophobicContact CB-CD2 4.06Å; S114-L116 VanDerWaalsContact C-N 3.29Å; S114-L116 PolarHBondContact O-N 3.44Å; L116-L119 PolarHBondContact O-N 3.48Å; L116-W120 WeakPolarHBondContact O-CB 3.22Å; L116-W120 PolarHBondContact O-N 2.9Å
117E94.8Very high96.5Very high50 Ų5057.5 Ų57.523%0.23429%0.291CS..Hα-helixtrans-71.1-37.6-179.6-168.663-160.200111.9H111 D112 S114 W120 T121H111-E117 HydrophobicContact CB-CG 4.36Å; H111-E117 IonicContact CD2-OE1 2.78Å; H111-E117 PolarHBondContact CD2-OE1 3.06Å; H111-E117 IonicContact CG-OE1 3.87Å; D112-E117 HydrophobicContact CB-CB 4.39Å; D112-E117 HydrophobicContact CB-CG 4.1Å; D112-E117 WeakPolarHBondContact O-CB 3.26Å; S114-E117 PolarHBondContact O-N 2.87Å; S114-E117 VanDerWaalsContact O-N 3.14Å; S114-E117 WeakPolarHBondContact OG-CB 3.38Å; E117-W120 PolarHBondContact O-N 3.38Å; E117-T121 VanDerWaalsContact O-CB 3.3Å; E117-T121 WeakPolarHBondContact O-CB 3.26Å; E117-T121 PolarHBondContact O-N 2.81Å; E117-T121 PolarHBondContact O-OG1 3.47Å
118I97.4Very high96.4Very high14 Ų1452.2 Ų52.27%0.07227%0.269CS..Hα-helixtrans-63.1-43.9173.2-66.5168.9000110.4F107 F113 S114 T121 F122F107-I118 HydrophobicContact CD1-CD1 4.13Å; F107-I118 HydrophobicContact CD1-CG2 4.43Å; F107-I118 HydrophobicContact CD2-CG2 3.9Å; F107-I118 HydrophobicContact CE1-CD1 4.1Å; F107-I118 HydrophobicContact CE1-CG2 4.42Å; F107-I118 HydrophobicContact CE2-CG2 3.9Å; F107-I118 HydrophobicContact CG-CG2 4.18Å; F107-I118 HydrophobicContact CZ-CG2 4.17Å; F113-I118 HydrophobicContact CD2-CD1 3.94Å; F113-I118 HydrophobicContact CE2-CD1 3.93Å; F113-I118 HydrophobicContact CG-CD1 4.3Å; F113-I118 HydrophobicContact CZ-CD1 4.27Å; S114-I118 WeakPolarHBondContact O-CG1 3.37Å; S114-I118 PolarHBondContact O-N 2.96Å; I118-T121 PolarHBondContact O-N 2.92Å; I118-F122 VanDerWaalsContact O-CB 3.26Å; I118-F122 WeakPolarHBondContact O-CB 3.41Å; I118-F122 PolarHBondContact O-N 2.91Å
119L97.3Very high96.4Very high62 Ų6246.1 Ų46.133%0.32524%0.239SC..Hα-helixtrans-68.6-36.6177.9-72.2170.2000112.4T46 L49 P115 L116 S123T46-L119 HydrophobicContact CG2-CD2 4.11Å; L49-L119 HydrophobicContact CD1-CB 4.35Å; L49-L119 HydrophobicContact CD1-CD1 3.42Å; L49-L119 VanDerWaalsContact CD1-CD1 3.42Å; L49-L119 HydrophobicContact CD1-CG 4.45Å; P115-L119 WeakPolarHBondContact O-CB 3.42Å; P115-L119 WeakPolarHBondContact O-CD1 3.43Å; P115-L119 VanDerWaalsContact O-CG 3.22Å; P115-L119 WeakPolarHBondContact O-CG 3.29Å; P115-L119 PolarHBondContact O-N 3.42Å; P115-L119 VanDerWaalsContact O-N 3.1Å; L116-L119 PolarHBondContact O-N 3.48Å; L119-S123 PolarHBondContact O-N 3.07Å
120W97.4Very high96.4Very high66 Ų6642.9 Ų42.925%0.2522%0.219CC..Hα-helixtrans-62.2-49.3171.6178.889.7000110.9H111 L116 E117 F122 S123 I124 D177H111-W120 AromaticContact CD2-CZ3 3.92Å; L116-W120 WeakPolarHBondContact O-CB 3.22Å; L116-W120 PolarHBondContact O-N 2.9Å; E117-W120 PolarHBondContact O-N 3.38Å; W120-F122 PolarHBondContact O-N 3.08Å; W120-S123 WeakPolarHBondContact O-CB 3.3Å; W120-S123 PolarHBondContact O-N 2.78Å; W120-S123 VanDerWaalsContact O-N 3.09Å; W120-S123 PolarHBondContact O-OG 3.44Å; W120-I124 HydrophobicContact CD2-CG1 4.18Å; W120-I124 HydrophobicContact CE3-CG1 4.27Å; W120-I124 HydrophobicContact CH2-CD1 4.32Å; W120-I124 HydrophobicContact CH2-CG1 3.92Å; W120-I124 HydrophobicContact CZ2-CD1 3.89Å; W120-I124 HydrophobicContact CZ2-CG1 3.84Å; W120-I124 HydrophobicContact CZ3-CG1 4.14Å; W120-I124 WeakPolarHBondContact O-CG1 3.42Å; W120-I124 PolarHBondContact O-N 3.32Å; W120-I124 VanDerWaalsContact O-N 3.12Å; W120-D177 WeakPolarHBondContact CH2-OD2 3.36Å
121T97.4Very high96.3Very high0 Ų041.1 Ų41.10%021%0.209CC..Hα-helixtrans-60.8-44.6178.2-600000111.5A106 V109 N110 E117 I118 S123 I124 Y125 I179A106-T121 HydrophobicContact CB-CG2 4.17Å; V109-T121 WeakPolarHBondContact O-CG2 3.45Å; N110-T121 HydrophobicContact CB-CG2 4.29Å; E117-T121 VanDerWaalsContact O-CB 3.3Å; E117-T121 WeakPolarHBondContact O-CB 3.26Å; E117-T121 PolarHBondContact O-N 2.81Å; E117-T121 PolarHBondContact O-OG1 3.47Å; I118-T121 PolarHBondContact O-N 2.92Å; T121-S123 VanDerWaalsContact C-N 3.29Å; T121-S123 PolarHBondContact O-N 2.94Å; T121-I124 WeakPolarHBondContact O-CB 3.48Å; T121-I124 PolarHBondContact O-N 3.21Å; T121-I124 VanDerWaalsContact O-N 3.08Å; T121-Y125 HydrophobicContact CG2-CD2 3.92Å; T121-Y125 HydrophobicContact CG2-CE2 3.41Å; T121-Y125 VanDerWaalsContact CG2-CE2 3.41Å; T121-Y125 PolarHBondContact O-N 2.87Å; T121-I179 HydrophobicContact CG2-CD1 4.26Å; T121-I179 HydrophobicContact CG2-CG2 4.17Å
122F98.3Very high96.4Very high25 Ų2538.1 Ų38.111%0.1120%0.197CC..Hα-helixtrans-54.2-45.8172.6170.8-98.5000111.5L42 T46 V99 V102 A106 I118 W120 I124 Y125 L126L42-F122 HydrophobicContact CD2-CE1 4.09Å; L42-F122 HydrophobicContact CD2-CZ 4.03Å; L42-F122 HydrophobicContact CG-CE1 4.09Å; T46-F122 HydrophobicContact CG2-CD1 3.98Å; T46-F122 HydrophobicContact CG2-CE1 4.06Å; V99-F122 HydrophobicContact CG1-CE2 4.43Å; V99-F122 HydrophobicContact CG1-CZ 4.29Å; V102-F122 HydrophobicContact CB-CE2 4.49Å; V102-F122 HydrophobicContact CG1-CD2 3.71Å; V102-F122 HydrophobicContact CG1-CE2 3.86Å; A106-F122 HydrophobicContact CB-CB 3.72Å; I118-F122 VanDerWaalsContact O-CB 3.26Å; I118-F122 WeakPolarHBondContact O-CB 3.41Å; I118-F122 PolarHBondContact O-N 2.91Å; W120-F122 PolarHBondContact O-N 3.08Å; F122-I124 VanDerWaalsContact C-N 3.29Å; F122-I124 PolarHBondContact O-N 3.41Å; F122-Y125 PolarHBondContact O-N 3.3Å; F122-L126 HydrophobicContact CE1-CD2 3.74Å; F122-L126 HydrophobicContact CZ-CB 4.47Å; F122-L126 HydrophobicContact CZ-CD2 3.71Å; F122-L126 WeakPolarHBondContact O-CB 3.33Å; F122-L126 PolarHBondContact O-N 3.44Å
123S98.2Very high96.4Very high0 Ų033.7 Ų33.70%017%0.173CC..Hα-helixtrans-62.2-36.6178.585.70000112.4T46 R47 L119 W120 T121 E127T46-S123 WeakPolarHBondContact OG1-CB 2.92Å; R47-S123 WeakPolarHBondContact CB-OG 2.82Å; R47-S123 PolarHBondContact NE-OG 3.4Å; R47-S123 VanDerWaalsContact NH2-C 3.34Å; R47-S123 PolarHBondContact NH2-O 3.45Å; L119-S123 PolarHBondContact O-N 3.07Å; W120-S123 WeakPolarHBondContact O-CB 3.3Å; W120-S123 PolarHBondContact O-N 2.78Å; W120-S123 VanDerWaalsContact O-N 3.09Å; W120-S123 PolarHBondContact O-OG 3.44Å; T121-S123 VanDerWaalsContact C-N 3.29Å; T121-S123 PolarHBondContact O-N 2.94Å; S123-E127 VanDerWaalsContact O-CB 3.27Å; S123-E127 WeakPolarHBondContact O-CB 3.03Å; S123-E127 PolarHBondContact O-N 2.86Å
124I97.5Very high96.3Very high19 Ų1926.8 Ų26.810%0.09714%0.143CC..Hα-helixtrans-67.3-50180-66.4-69.4000110.2W120 T121 F122 S128 I179 A183W120-I124 HydrophobicContact CD2-CG1 4.18Å; W120-I124 HydrophobicContact CE3-CG1 4.27Å; W120-I124 HydrophobicContact CH2-CD1 4.32Å; W120-I124 HydrophobicContact CH2-CG1 3.92Å; W120-I124 HydrophobicContact CZ2-CD1 3.89Å; W120-I124 HydrophobicContact CZ2-CG1 3.84Å; W120-I124 HydrophobicContact CZ3-CG1 4.14Å; W120-I124 WeakPolarHBondContact O-CG1 3.42Å; W120-I124 PolarHBondContact O-N 3.32Å; W120-I124 VanDerWaalsContact O-N 3.12Å; T121-I124 WeakPolarHBondContact O-CB 3.48Å; T121-I124 PolarHBondContact O-N 3.21Å; T121-I124 VanDerWaalsContact O-N 3.08Å; F122-I124 VanDerWaalsContact C-N 3.29Å; F122-I124 PolarHBondContact O-N 3.41Å; I124-S128 PolarHBondContact O-N 3.22Å; I124-I179 HydrophobicContact CG2-CG2 4.11Å; I124-A183 HydrophobicContact CG2-CB 3.54Å
125Y97.9Very high96Very high23 Ų2326.9 Ų26.99%0.0914%0.14CC..Hα-helixtrans-63.8-43.5176.6-66.6-27.9000112.1L105 A106 V109 T121 F122 E127 S128 I179 A183L105-Y125 HydrophobicContact CB-CD2 4.25Å; L105-Y125 HydrophobicContact CB-CE2 4.28Å; L105-Y125 HydrophobicContact CD2-CD1 4.44Å; L105-Y125 HydrophobicContact CD2-CD2 3.9Å; L105-Y125 HydrophobicContact CD2-CE1 4.39Å; L105-Y125 HydrophobicContact CD2-CE2 3.84Å; L105-Y125 HydrophobicContact CD2-CG 4.22Å; L105-Y125 HydrophobicContact CG-CD2 3.96Å; L105-Y125 HydrophobicContact CG-CE2 3.63Å; A106-Y125 HydrophobicContact CB-CD2 4.15Å; A106-Y125 HydrophobicContact CB-CE2 4.47Å; V109-Y125 WeakPolarHBondContact CG1-OH 3.32Å; V109-Y125 PolarHBondContact O-OH 3.45Å; T121-Y125 HydrophobicContact CG2-CD2 3.92Å; T121-Y125 HydrophobicContact CG2-CE2 3.41Å; T121-Y125 VanDerWaalsContact CG2-CE2 3.41Å; T121-Y125 PolarHBondContact O-N 2.87Å; F122-Y125 PolarHBondContact O-N 3.3Å; Y125-E127 PolarHBondContact O-N 3.49Å; Y125-S128 WeakPolarHBondContact O-CB 2.75Å; Y125-S128 PolarHBondContact O-N 3.43Å; Y125-S128 PolarHBondContact O-OG 3.14Å; Y125-I179 HydrophobicContact CD1-CG2 4.48Å; Y125-I179 HydrophobicContact CE1-CG2 3.66Å; Y125-A183 HydrophobicContact CD1-CB 4.15Å
126L98.2Very high95.7Very high0 Ų025.4 Ų25.40%012%0.123CC..Hα-helixtrans-65.5-42-177.6-17564.5000111.5L39 L42 V43 V99 V102 F122 S128 V129 A130L39-L126 HydrophobicContact CD2-CD1 4.21Å; L42-L126 HydrophobicContact CB-CD2 4.22Å; L42-L126 HydrophobicContact CD2-CD2 3.75Å; L42-L126 HydrophobicContact CG-CD2 3.95Å; V43-L126 HydrophobicContact CG2-CB 3.93Å; V43-L126 HydrophobicContact CG2-CD2 3.87Å; V43-L126 HydrophobicContact CG2-CG 3.85Å; V99-L126 HydrophobicContact CG2-CD1 4.26Å; V102-L126 HydrophobicContact CG1-CB 3.94Å; F122-L126 HydrophobicContact CE1-CD2 3.74Å; F122-L126 HydrophobicContact CZ-CB 4.47Å; F122-L126 HydrophobicContact CZ-CD2 3.71Å; F122-L126 WeakPolarHBondContact O-CB 3.33Å; F122-L126 PolarHBondContact O-N 3.44Å; L126-S128 PolarHBondContact O-N 3.04Å; L126-V129 WeakPolarHBondContact O-CG2 3.29Å; L126-V129 PolarHBondContact O-N 3.26Å; L126-V129 VanDerWaalsContact O-N 3.15Å; L126-A130 WeakPolarHBondContact O-CB 3.41Å; L126-A130 PolarHBondContact O-N 3.28Å
127E97.5Very high95.5Very high3 Ų321.1 Ų21.11%0.01410%0.101CC..Hα-helixtrans-59.8-34.3178-169.4179.3-148.700112.2H12 F40 V43 R47 S123 Y125 V129 A130 Y158 R159 Q187H12-E127 IonicContact CE1-OE1 3.77Å; F40-E127 HydrophobicContact CE1-CG 4.44Å; V43-E127 HydrophobicContact CG1-CB 3.84Å; V43-E127 HydrophobicContact CG1-CG 4.12Å; V43-E127 HydrophobicContact CG2-CB 3.87Å; R47-E127 IonicContact CZ-OE2 3.22Å; R47-E127 IonicContact NH1-OE1 2.7Å; R47-E127 PolarHBondContact NH1-OE1 3.03Å; R47-E127 IonicContact NH1-OE2 3.28Å; R47-E127 PolarHBondContact NH1-OE2 3.01Å; R47-E127 IonicContact NH2-OE2 3.81Å; R47-E127 PolarHBondContact NH2-OE2 2.86Å; S123-E127 VanDerWaalsContact O-CB 3.27Å; S123-E127 WeakPolarHBondContact O-CB 3.03Å; S123-E127 PolarHBondContact O-N 2.86Å; Y125-E127 PolarHBondContact O-N 3.49Å; E127-V129 PolarHBondContact O-N 3.16Å; E127-A130 PolarHBondContact O-N 3Å; E127-Y158 PolarHBondContact OE1-OH 2.86Å; E127-R159 IonicContact OE1-NH2 3.41Å; E127-R159 PolarHBondContact OE1-NH2 3.36Å; E127-R159 IonicContact OE2-CZ 3.48Å; E127-R159 IonicContact OE2-NH2 3.97Å; E127-R159 PolarHBondContact OE2-NH2 3.33Å; E127-Q187 PolarHBondContact O-NE2 3.25Å
128S95.4Very high95.2Very high9 Ų919.1 Ų19.16%0.0639%0.092CC..Hα-helixtrans-61-30.6-179.977.10000113I124 Y125 L126 A183 L190I124-S128 PolarHBondContact O-N 3.22Å; Y125-S128 WeakPolarHBondContact O-CB 2.75Å; Y125-S128 PolarHBondContact O-N 3.43Å; Y125-S128 PolarHBondContact O-OG 3.14Å; L126-S128 PolarHBondContact O-N 3.04Å; S128-A183 VanDerWaalsContact CB-O 3.27Å; S128-A183 WeakPolarHBondContact CB-O 3.41Å; S128-L190 WeakPolarHBondContact O-CD1 3.36Å
129V96.7Very high94.5Very high22 Ų2221.6 Ų21.613%0.13311%0.11CC..Hα-helixtrans-113.2-3.5-176.8-64.70000113.9L98 V102 L126 E127 I131 L132 L190L98-V129 HydrophobicContact CB-CG2 4.2Å; L98-V129 HydrophobicContact CD1-CB 4.41Å; L98-V129 HydrophobicContact CD1-CG2 4.29Å; L98-V129 HydrophobicContact CD2-CB 4.16Å; L98-V129 HydrophobicContact CD2-CG2 4.16Å; L98-V129 HydrophobicContact CG-CG2 4.43Å; V102-V129 HydrophobicContact CG2-CG2 4.11Å; L126-V129 WeakPolarHBondContact O-CG2 3.29Å; L126-V129 PolarHBondContact O-N 3.26Å; L126-V129 VanDerWaalsContact O-N 3.15Å; E127-V129 PolarHBondContact O-N 3.16Å; V129-I131 PolarHBondContact O-N 3.46Å; V129-L132 HydrophobicContact CB-CD1 3.86Å; V129-L132 HydrophobicContact CB-CG 4.4Å; V129-L132 HydrophobicContact CG1-CD1 4.18Å; V129-L132 WeakPolarHBondContact O-CB 3.48Å; V129-L132 WeakPolarHBondContact O-CG 3.44Å; V129-L132 PolarHBondContact O-N 3.08Å; V129-L190 HydrophobicContact CG1-CD1 4.41Å
130A96.8Very high93.9Very high0 Ų023.7 Ų23.70%012%0.116CC..THydrogen-bonded Turntrans-60.9-21.7-174.800000114.1S36 L39 F40 L126 E127 P133S36-A130 WeakPolarHBondContact CA-O 3.34Å; S36-A130 VanDerWaalsContact CB-O 3.29Å; S36-A130 WeakPolarHBondContact CB-O 3.35Å; S36-A130 PolarHBondContact OG-O 3.43Å; L39-A130 HydrophobicContact CB-CB 3.8Å; L39-A130 HydrophobicContact CD1-CB 4.48Å; F40-A130 HydrophobicContact CD1-CB 3.85Å; F40-A130 HydrophobicContact CE1-CB 3.61Å; F40-A130 HydrophobicContact CE2-CB 4.45Å; F40-A130 HydrophobicContact CG-CB 4.36Å; F40-A130 HydrophobicContact CZ-CB 3.93Å; L126-A130 WeakPolarHBondContact O-CB 3.41Å; L126-A130 PolarHBondContact O-N 3.28Å; E127-A130 PolarHBondContact O-N 3Å; A130-P133 WeakPolarHBondContact O-CD 3.4Å
131I94.6Very high93.2Very high0 Ų023.1 Ų23.10%012%0.12CC..THydrogen-bonded Turntrans-81.8-14.4178.7-159.362.9000113.9F40 V129 Q134 L135 L152 L155 Y191F40-I131 HydrophobicContact CE2-CD1 3.99Å; F40-I131 HydrophobicContact CZ-CB 4.29Å; F40-I131 HydrophobicContact CZ-CD1 4.09Å; V129-I131 PolarHBondContact O-N 3.46Å; I131-Q134 HydrophobicContact CD1-CB 3.93Å; I131-Q134 HydrophobicContact CD1-CG 4.24Å; I131-Q134 HydrophobicContact CG1-CB 4.43Å; I131-Q134 WeakPolarHBondContact O-CB 3.45Å; I131-Q134 PolarHBondContact O-N 3.36Å; I131-L135 HydrophobicContact CG1-CG 4.21Å; I131-L135 HydrophobicContact CG2-CD1 3.92Å; I131-L135 HydrophobicContact CG2-CG 4.4Å; I131-L135 PolarHBondContact O-N 2.97Å; I131-L152 HydrophobicContact CD1-CD2 3.69Å; I131-L152 HydrophobicContact CG1-CD2 4.14Å; I131-L155 HydrophobicContact CD1-CD2 3.84Å; I131-Y191 WeakPolarHBondContact CB-OH 3.26Å; I131-Y191 HydrophobicContact CG1-CE1 3.87Å; I131-Y191 WeakPolarHBondContact CG1-OH 3.47Å; I131-Y191 HydrophobicContact CG2-CE1 4.42Å; I131-Y191 HydrophobicContact CG2-CE2 4.18Å
132L93.7Very high91.9Very high39 Ų3924.6 Ų24.620%0.20414%0.135CC..Hα-helixtrans-55.4-43.1-175.1-70.8177.2000114F93 L98 V129 Q134 L135 F136 L190F93-L132 HydrophobicContact CE2-CB 4.14Å; F93-L132 HydrophobicContact CZ-CB 4.07Å; F93-L132 HydrophobicContact CZ-CD1 4.42Å; L98-L132 HydrophobicContact CD1-CB 4.31Å; L98-L132 HydrophobicContact CD1-CD1 4.29Å; L98-L132 HydrophobicContact CD2-CD1 3.78Å; V129-L132 HydrophobicContact CB-CD1 3.86Å; V129-L132 HydrophobicContact CB-CG 4.4Å; V129-L132 HydrophobicContact CG1-CD1 4.18Å; V129-L132 WeakPolarHBondContact O-CB 3.48Å; V129-L132 WeakPolarHBondContact O-CG 3.44Å; V129-L132 PolarHBondContact O-N 3.08Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-Q134 PolarHBondContact O-N 3.44Å; L132-L135 PolarHBondContact O-N 3.29Å; L132-F136 VanDerWaalsContact O-CB 3.26Å; L132-F136 WeakPolarHBondContact O-CB 3.16Å; L132-F136 PolarHBondContact O-N 3.14Å; L132-L190 HydrophobicContact CD2-CD1 3.92Å; L132-L190 HydrophobicContact CD2-CD2 3.81Å; L132-L190 HydrophobicContact CD2-CG 4.42Å; L132-L190 HydrophobicContact CG-CD1 4.2Å
133P95Very high90.5Very high0 Ų028.3 Ų28.30%015%0.153CC..Hα-helixtrans-56.9-41.9174.5-25.433.4000113.9S33 K35 S36 L39 F93 V95 A130 F136 M137S33-P133 VanDerWaalsContact OG-CB 3.27Å; S33-P133 WeakPolarHBondContact OG-CB 3.35Å; K35-P133 HydrophobicContact CB-CB 3.86Å; K35-P133 HydrophobicContact CB-CG 4.19Å; S36-P133 WeakPolarHBondContact OG-CB 3.23Å; S36-P133 WeakPolarHBondContact OG-CD 3.36Å; L39-P133 HydrophobicContact CD1-CG 4.05Å; F93-P133 HydrophobicContact CB-CB 3.91Å; F93-P133 HydrophobicContact CB-CG 4.24Å; F93-P133 HydrophobicContact CD1-CB 4.39Å; F93-P133 HydrophobicContact CD1-CG 3.79Å; F93-P133 HydrophobicContact CE1-CG 4.44Å; F93-P133 HydrophobicContact CG-CB 4.2Å; F93-P133 HydrophobicContact CG-CG 4.07Å; V95-P133 HydrophobicContact CG1-CG 4.13Å; A130-P133 WeakPolarHBondContact O-CD 3.4Å; P133-F136 PolarHBondContact O-N 3.11Å; P133-M137 WeakPolarHBondContact O-CB 3.35Å; P133-M137 PolarHBondContact O-N 3.09Å
134Q93.1Very high89.1Confident0 Ų029 Ų290%016%0.158CC..Hα-helixtrans-65.8-44.3177-177.964.470.800112.5G31 S36 I131 L132 F136 M137 I138 L152G31-Q134 PolarHBondContact O-NE2 3.25Å; S36-Q134 PolarHBondContact OG-N 2.89Å; I131-Q134 HydrophobicContact CD1-CB 3.93Å; I131-Q134 HydrophobicContact CD1-CG 4.24Å; I131-Q134 HydrophobicContact CG1-CB 4.43Å; I131-Q134 WeakPolarHBondContact O-CB 3.45Å; I131-Q134 PolarHBondContact O-N 3.36Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-Q134 PolarHBondContact O-N 3.44Å; Q134-F136 VanDerWaalsContact C-N 3.34Å; Q134-M137 PolarHBondContact O-N 3.35Å; Q134-I138 HydrophobicContact CG-CD1 4.19Å; Q134-I138 WeakPolarHBondContact O-CG1 3.49Å; Q134-I138 PolarHBondContact O-N 3.01Å; Q134-L152 HydrophobicContact CG-CD2 4.24Å
135L89.2Confident87.9Confident37 Ų3732.6 Ų32.619%0.19418%0.175CC..Hα-helixtrans-63.8-42.7177.1-66.1177.9000111.1I131 L132 M137 I138 S139 F194I131-L135 HydrophobicContact CG1-CG 4.21Å; I131-L135 HydrophobicContact CG2-CD1 3.92Å; I131-L135 HydrophobicContact CG2-CG 4.4Å; I131-L135 PolarHBondContact O-N 2.97Å; L132-L135 PolarHBondContact O-N 3.29Å; L135-M137 VanDerWaalsContact C-N 3.34Å; L135-M137 PolarHBondContact O-N 3.08Å; L135-I138 PolarHBondContact O-N 3.06Å; L135-S139 PolarHBondContact O-N 3.27Å; L135-S139 PolarHBondContact O-OG 3.45Å; L135-F194 HydrophobicContact CD2-CB 4.42Å
136F90Very high86.5Confident74 Ų7435.4 Ų35.433%0.32520%0.195SC..Hα-helixtrans-63.2-39176.7-176.1-99.8000112.7F93 L132 P133 Q134 S139 K140F93-F136 HydrophobicContact CB-CD1 4.02Å; F93-F136 HydrophobicContact CB-CG 4.47Å; F93-F136 HydrophobicContact CD2-CB 3.8Å; F93-F136 HydrophobicContact CD2-CD1 4.15Å; F93-F136 HydrophobicContact CD2-CD2 4.23Å; F93-F136 AromaticContact CD2-CG 3.81Å; F93-F136 HydrophobicContact CD2-CG 3.81Å; L132-F136 VanDerWaalsContact O-CB 3.26Å; L132-F136 WeakPolarHBondContact O-CB 3.16Å; L132-F136 PolarHBondContact O-N 3.14Å; P133-F136 PolarHBondContact O-N 3.11Å; Q134-F136 VanDerWaalsContact C-N 3.34Å; F136-S139 WeakPolarHBondContact CA-OG 3.34Å; F136-S139 PolarHBondContact O-N 3.02Å; F136-S139 PolarHBondContact O-OG 2.96Å; F136-K140 HydrophobicContact CD1-CD 4.34Å; F136-K140 HydrophobicContact CE1-CD 3.77Å; F136-K140 HydrophobicContact CE1-CG 4.42Å; F136-K140 HydrophobicContact CZ-CD 4.19Å; F136-K140 PolarHBondContact O-N 3.38Å; F136-K140 VanDerWaalsContact O-N 3.11Å
137M89.5Confident85.3Confident1 Ų139.2 Ų39.21%0.00521%0.214CC..Hα-helixtrans-63.2-46.3174.9-172.8-177.9-177.200110.9D87 H90 D91 P133 Q134 L135 S139 K140 T141D87-M137 HydrophobicContact CB-CE 3.8Å; H90-M137 HydrophobicContact CB-CE 4.2Å; H90-M137 HydrophobicContact CB-CG 4.19Å; D91-M137 HydrophobicContact CB-SD 4.26Å; P133-M137 WeakPolarHBondContact O-CB 3.35Å; P133-M137 PolarHBondContact O-N 3.09Å; Q134-M137 PolarHBondContact O-N 3.35Å; L135-M137 VanDerWaalsContact C-N 3.34Å; L135-M137 PolarHBondContact O-N 3.08Å; M137-S139 VanDerWaalsContact C-N 3.32Å; M137-S139 PolarHBondContact O-N 2.81Å; M137-K140 PolarHBondContact O-N 3.38Å; M137-K140 VanDerWaalsContact O-N 3.09Å; M137-T141 HydrophobicContact CG-CG2 4.49Å; M137-T141 PolarHBondContact O-N 2.76Å; M137-T141 PolarHBondContact O-OG1 2.85Å
138I87.4Confident84.4Confident8 Ų839.2 Ų39.24%0.04121%0.214CC..Hα-helixtrans-61.8-40177.7-68.1165.5000111.1Q134 L135 K140 T141 G142 A144 L152 L208 L210Q134-I138 HydrophobicContact CG-CD1 4.19Å; Q134-I138 WeakPolarHBondContact O-CG1 3.49Å; Q134-I138 PolarHBondContact O-N 3.01Å; L135-I138 PolarHBondContact O-N 3.06Å; I138-K140 VanDerWaalsContact C-N 3.26Å; I138-K140 PolarHBondContact O-N 3Å; I138-T141 PolarHBondContact O-N 2.98Å; I138-T141 PolarHBondContact O-OG1 2.87Å; I138-G142 PolarHBondContact O-N 3.35Å; I138-A144 HydrophobicContact CD1-CB 4.2Å; I138-A144 HydrophobicContact CG1-CB 4.21Å; I138-A144 HydrophobicContact CG2-CB 4Å; I138-L152 HydrophobicContact CD1-CD1 3.64Å; I138-L208 HydrophobicContact CG2-CD2 4.03Å; I138-L210 HydrophobicContact CG2-CD1 4.04Å
139S83.9Confident83.6Confident65 Ų6538.9 Ų38.946%0.45521%0.212SC..Hα-helixtrans-64.5-29.7175.464.50000113.7L135 F136 M137L135-S139 PolarHBondContact O-N 3.27Å; L135-S139 PolarHBondContact O-OG 3.45Å; F136-S139 WeakPolarHBondContact CA-OG 3.34Å; F136-S139 PolarHBondContact O-N 3.02Å; F136-S139 PolarHBondContact O-OG 2.96Å; M137-S139 VanDerWaalsContact C-N 3.32Å; M137-S139 PolarHBondContact O-N 2.81Å
140K83.4Confident83.1Confident107 Ų10741.1 Ų41.147%0.46522%0.221SC..Hα-helixtrans-79.3-39.7175.8-79.7-168.2165.9-169.80113.3T92 F136 M137 I138 G142T92-K140 PolarHBondContact OG1-NZ 3.16Å; F136-K140 HydrophobicContact CD1-CD 4.34Å; F136-K140 HydrophobicContact CE1-CD 3.77Å; F136-K140 HydrophobicContact CE1-CG 4.42Å; F136-K140 HydrophobicContact CZ-CD 4.19Å; F136-K140 PolarHBondContact O-N 3.38Å; F136-K140 VanDerWaalsContact O-N 3.11Å; M137-K140 PolarHBondContact O-N 3.38Å; M137-K140 VanDerWaalsContact O-N 3.09Å; I138-K140 VanDerWaalsContact C-N 3.26Å; I138-K140 PolarHBondContact O-N 3Å; K140-G142 VanDerWaalsContact C-N 3.34Å
141T83.2Confident82.7Confident54 Ų5441.4 Ų41.433%0.33122%0.222SC..Hα-helixtrans-81-17.1-176.756.90000112.9H90 M137 I138 E143H90-T141 HydrophobicContact CB-CG2 3.87Å; M137-T141 HydrophobicContact CG-CG2 4.49Å; M137-T141 PolarHBondContact O-N 2.76Å; M137-T141 PolarHBondContact O-OG1 2.85Å; I138-T141 PolarHBondContact O-N 2.98Å; I138-T141 PolarHBondContact O-OG1 2.87Å; T141-E143 PolarHBondContact O-N 3.46Å; T141-E143 PolarHBondContact OG1-O 3.08Å
142G70.6Confident82.4Confident30 Ų3041.4 Ų41.431%0.30922%0.222SC..SBendtrans73.7-9.6174.900000115.1I138 K140 S209I138-G142 PolarHBondContact O-N 3.35Å; K140-G142 VanDerWaalsContact C-N 3.34Å; G142-S209 WeakPolarHBondContact O-CA 3.26Å
143E67.8Low82.2Confident104 Ų10442.1 Ų42.149%0.48622%0.223SC..EExtended strand (participates in β ladder)trans-136.7145.3172.1-65.1-164.1170.200111.3T141 K207 L208T141-E143 PolarHBondContact O-N 3.46Å; T141-E143 PolarHBondContact OG1-O 3.08Å; E143-K207 IonicContact OE1-NZ 2.67Å; E143-K207 PolarHBondContact OE1-NZ 3.12Å; E143-K207 IonicContact OE2-NZ 3.14Å; E143-K207 PolarHBondContact OE2-NZ 2.63Å; E143-L208 WeakPolarHBondContact CA-O 3.38Å
144A68.9Low82.1Confident13 Ų1345.3 Ų45.311%0.10724%0.237CC..EExtended strand (participates in β ladder)trans-119.1134.9165.100000110.7I138 T149 L208I138-A144 HydrophobicContact CD1-CB 4.2Å; I138-A144 HydrophobicContact CG1-CB 4.21Å; I138-A144 HydrophobicContact CG2-CB 4Å; A144-T149 HydrophobicContact CB-CG2 3.97Å; A144-L208 HydrophobicContact CB-CD2 3.85Å; A144-L208 PolarHBondContact N-O 3.09Å
145E73.4Confident82Confident95 Ų9545.4 Ų45.444%0.44424%0.238SC..  trans-62.1143.2173.6-68179.3168.200111.6K22 I147 T148 T149K22-E145 WeakPolarHBondContact CE-OE2 3.49Å; K22-E145 IonicContact NZ-OE2 2.74Å; K22-E145 PolarHBondContact NZ-OE2 2.93Å; E145-I147 VanDerWaalsContact C-N 3.27Å; E145-I147 PolarHBondContact O-N 2.92Å; E145-T148 WeakPolarHBondContact O-CA 3.45Å; E145-T148 VanDerWaalsContact O-CB 3.31Å; E145-T148 WeakPolarHBondContact O-CB 3.46Å; E145-T148 PolarHBondContact O-N 3.48Å; E145-T149 PolarHBondContact O-N 3.32Å
146T68.2Low82.1Confident83 Ų8343.7 Ų43.751%0.50923%0.229SC..Hα-helixtrans-54.6-39.4-178.1-47.50000113T148 T149 H150 V202T146-T148 PolarHBondContact O-N 2.9Å; T146-T149 WeakPolarHBondContact CA-OG1 3.46Å; T146-T149 PolarHBondContact O-N 3.49Å; T146-T149 VanDerWaalsContact O-N 3.13Å; T146-T149 PolarHBondContact O-OG1 3.46Å; T146-H150 PolarHBondContact O-CD2 3.08Å; T146-H150 PolarHBondContact O-N 3.28Å; T146-H150 VanDerWaalsContact O-N 3.1Å; T146-V202 HydrophobicContact CG2-CG1 4.15Å
147I72.6Confident82.2Confident80 Ų8042.9 Ų42.941%0.4123%0.228SC..Hα-helixtrans-66.5-39.4178.5-58.6176000111.2I18 K22 E145 T149 H150 Y151I18-I147 HydrophobicContact CG2-CG2 4.02Å; K22-I147 HydrophobicContact CB-CG2 3.81Å; K22-I147 HydrophobicContact CG-CB 4.15Å; K22-I147 HydrophobicContact CG-CD1 4.43Å; K22-I147 HydrophobicContact CG-CG2 3.61Å; E145-I147 VanDerWaalsContact C-N 3.27Å; E145-I147 PolarHBondContact O-N 2.92Å; I147-T149 PolarHBondContact O-N 2.95Å; I147-H150 PolarHBondContact O-N 2.9Å; I147-Y151 PolarHBondContact O-N 3.48Å; I147-Y151 VanDerWaalsContact O-N 3.09Å
148T78.1Confident82.4Confident3 Ų343 Ų432%0.01823%0.228CC..Hα-helixtrans-61.3-35.8173.9-52.50000110.7I32 E145 T146 Y151 L152I32-T148 HydrophobicContact CD1-CG2 3.74Å; E145-T148 WeakPolarHBondContact O-CA 3.45Å; E145-T148 VanDerWaalsContact O-CB 3.31Å; E145-T148 WeakPolarHBondContact O-CB 3.46Å; E145-T148 PolarHBondContact O-N 3.48Å; T146-T148 PolarHBondContact O-N 2.9Å; T148-Y151 HydrophobicContact CG2-CD1 4.34Å; T148-Y151 WeakPolarHBondContact O-CB 3.36Å; T148-Y151 PolarHBondContact O-N 3.46Å; T148-L152 HydrophobicContact CG2-CD1 4.4Å; T148-L152 WeakPolarHBondContact O-CG 3.43Å; T148-L152 PolarHBondContact O-N 3.48Å
149T79.1Confident82.6Confident1 Ų143.2 Ų43.21%0.00623%0.229CC..Hα-helixtrans-69.7-34.9176.766.70000113.5A144 E145 T146 I147 L152 F153 F194 V202 L208A144-T149 HydrophobicContact CB-CG2 3.97Å; E145-T149 PolarHBondContact O-N 3.32Å; T146-T149 WeakPolarHBondContact CA-OG1 3.46Å; T146-T149 PolarHBondContact O-N 3.49Å; T146-T149 VanDerWaalsContact O-N 3.13Å; T146-T149 PolarHBondContact O-OG1 3.46Å; I147-T149 PolarHBondContact O-N 2.95Å; T149-L152 PolarHBondContact O-N 2.91Å; T149-F153 WeakPolarHBondContact O-CB 3.27Å; T149-F153 PolarHBondContact O-N 3.42Å; T149-F194 HydrophobicContact CG2-CE2 4.28Å; T149-F194 HydrophobicContact CG2-CZ 4.43Å; T149-F194 WeakPolarHBondContact O-CZ 3.33Å; T149-V202 HydrophobicContact CG2-CG2 4.11Å; T149-L208 HydrophobicContact CG2-CB 4.34Å; T149-L208 HydrophobicContact CG2-CD1 4.33Å
150H87Confident82.9Confident70 Ų7041.5 Ų41.532%0.32422%0.218SC..Hα-helixtrans-65.5-41.9171.7-66.7-49.1000112.1T146 I147 F153 F154 Y198T146-H150 PolarHBondContact O-CD2 3.08Å; T146-H150 PolarHBondContact O-N 3.28Å; T146-H150 VanDerWaalsContact O-N 3.1Å; I147-H150 PolarHBondContact O-N 2.9Å; H150-F153 PolarHBondContact O-N 3.17Å; H150-F154 WeakPolarHBondContact O-CD2 3.37Å; H150-F154 PolarHBondContact O-N 2.67Å; H150-Y198 PolarHBondContact CE1-OH 3.34Å; H150-Y198 AromaticContact ND1-CZ 3.88Å; H150-Y198 PolarHBondContact ND1-OH 3.46Å
151Y88.7Confident83.4Confident5 Ų537.9 Ų37.92%0.0220%0.204CC..Hα-helixtrans-54.1-53.3172.4149-110.3000111.2A15 L19 Q37 I147 T148 F153 F154 L155A15-Y151 HydrophobicContact CB-CD2 4.06Å; A15-Y151 HydrophobicContact CB-CE2 4.5Å; A15-Y151 WeakPolarHBondContact O-CD2 3.27Å; L19-Y151 HydrophobicContact CB-CD2 3.95Å; L19-Y151 HydrophobicContact CB-CE2 4.35Å; L19-Y151 HydrophobicContact CB-CG 4.26Å; L19-Y151 HydrophobicContact CD2-CD2 4.35Å; L19-Y151 HydrophobicContact CD2-CE1 4.42Å; L19-Y151 HydrophobicContact CD2-CE2 3.97Å; Q37-Y151 PolarHBondContact NE2-OH 3.2Å; I147-Y151 PolarHBondContact O-N 3.48Å; I147-Y151 VanDerWaalsContact O-N 3.09Å; T148-Y151 HydrophobicContact CG2-CD1 4.34Å; T148-Y151 WeakPolarHBondContact O-CB 3.36Å; T148-Y151 PolarHBondContact O-N 3.46Å; Y151-F153 VanDerWaalsContact C-N 3.29Å; Y151-F153 PolarHBondContact O-N 3.4Å; Y151-F154 PolarHBondContact O-N 2.74Å; Y151-L155 HydrophobicContact CE2-CB 4.44Å; Y151-L155 HydrophobicContact CE2-CD2 3.8Å; Y151-L155 WeakPolarHBondContact O-CB 3.49Å; Y151-L155 PolarHBondContact O-N 2.99Å; Y151-L155 WeakPolarHBondContact OH-CD2 3.14Å
152L87.7Confident83.8Confident0 Ų037.1 Ų37.10%020%0.195CC..Hα-helixtrans-63.3-35.2180-71173000112.4I131 Q134 I138 T148 T149 L155 G156 Y191 F194I131-L152 HydrophobicContact CD1-CD2 3.69Å; I131-L152 HydrophobicContact CG1-CD2 4.14Å; Q134-L152 HydrophobicContact CG-CD2 4.24Å; I138-L152 HydrophobicContact CD1-CD1 3.64Å; T148-L152 HydrophobicContact CG2-CD1 4.4Å; T148-L152 WeakPolarHBondContact O-CG 3.43Å; T148-L152 PolarHBondContact O-N 3.48Å; T149-L152 PolarHBondContact O-N 2.91Å; L152-L155 PolarHBondContact O-N 3.17Å; L152-G156 PolarHBondContact O-N 3.22Å; L152-Y191 HydrophobicContact CD2-CE1 4.48Å; L152-F194 HydrophobicContact CB-CD1 4Å; L152-F194 HydrophobicContact CB-CD2 4.33Å; L152-F194 HydrophobicContact CB-CE1 3.37Å; L152-F194 HydrophobicContact CB-CE2 3.74Å; L152-F194 HydrophobicContact CB-CG 4.46Å; L152-F194 HydrophobicContact CB-CZ 3.24Å; L152-F194 HydrophobicContact CD1-CD2 3.81Å; L152-F194 HydrophobicContact CD1-CE2 3.36Å; L152-F194 HydrophobicContact CD1-CZ 3.82Å; L152-F194 HydrophobicContact CG-CE2 4.2Å; L152-F194 HydrophobicContact CG-CZ 4.16Å
153F89.7Confident84.8Confident55 Ų5537.6 Ų37.624%0.24119%0.19CC..Hα-helixtrans-63.8-50.8176.5175-98.6000112T149 H150 Y151 L155 G156 L157 F194 F195 Y198T149-F153 WeakPolarHBondContact O-CB 3.27Å; T149-F153 PolarHBondContact O-N 3.42Å; H150-F153 PolarHBondContact O-N 3.17Å; Y151-F153 VanDerWaalsContact C-N 3.29Å; Y151-F153 PolarHBondContact O-N 3.4Å; F153-L155 VanDerWaalsContact C-N 3.25Å; F153-L155 PolarHBondContact O-N 3.41Å; F153-G156 PolarHBondContact O-N 3.27Å; F153-L157 HydrophobicContact CE1-CD2 4.06Å; F153-L157 HydrophobicContact CZ-CD2 4.37Å; F153-L157 VanDerWaalsContact O-CB 3.29Å; F153-L157 WeakPolarHBondContact O-CB 3.22Å; F153-L157 PolarHBondContact O-N 2.94Å; F153-F194 HydrophobicContact CB-CE1 4.45Å; F153-F195 HydrophobicContact CD2-CD1 4.11Å; F153-F195 AromaticContact CD2-CE1 3.99Å; F153-F195 HydrophobicContact CD2-CE1 3.99Å; F153-F195 HydrophobicContact CE2-CE1 4.39Å; F153-Y198 HydrophobicContact CB-CD1 4.43Å; F153-Y198 HydrophobicContact CB-CD2 4.47Å; F153-Y198 HydrophobicContact CB-CE1 4.06Å; F153-Y198 HydrophobicContact CB-CE2 4.1Å; F153-Y198 HydrophobicContact CD1-CE1 4.46Å; F153-Y198 AromaticContact CD2-CD1 3.63Å; F153-Y198 HydrophobicContact CD2-CD1 3.63Å; F153-Y198 AromaticContact CD2-CE1 3.48Å; F153-Y198 HydrophobicContact CD2-CE1 3.48Å; F153-Y198 VanDerWaalsContact CD2-CE1 3.48Å; F153-Y198 HydrophobicContact CD2-CG 4.42Å; F153-Y198 HydrophobicContact CE2-CD1 4.25Å; F153-Y198 HydrophobicContact CE2-CE1 4.03Å; F153-Y198 HydrophobicContact CG-CD1 4.23Å; F153-Y198 AromaticContact CG-CE1 3.73Å; F153-Y198 HydrophobicContact CG-CE1 3.73Å; F153-Y198 AromaticContact CG-CZ 3.95Å
154F93.2Very high86Confident66 Ų6636.2 Ų36.229%0.28919%0.185SC..Hα-helixtrans-64.3-34.5176.3-73.6-65.5000111.7S11 A15 I18 H150 Y151 L157 Y158S11-F154 PolarHBondContact OG-O 2.69Å; S11-F154 VanDerWaalsContact OG-O 3.08Å; A15-F154 HydrophobicContact CB-CB 3.76Å; I18-F154 HydrophobicContact CD1-CD2 3.39Å; I18-F154 HydrophobicContact CD1-CE2 3.51Å; I18-F154 HydrophobicContact CD1-CG 4.45Å; H150-F154 WeakPolarHBondContact O-CD2 3.37Å; H150-F154 PolarHBondContact O-N 2.67Å; Y151-F154 PolarHBondContact O-N 2.74Å; F154-L157 HydrophobicContact CD1-CD2 4.47Å; F154-L157 PolarHBondContact O-N 3.28Å; F154-Y158 PolarHBondContact O-N 2.97Å; F154-Y158 VanDerWaalsContact O-N 3.09Å
155L90.9Very high87.1Confident3 Ų335.7 Ų35.72%0.01618%0.181CC..Hα-helixtrans-67.5-35.3175.4-161.269.5000112.4A15 F40 I131 Y151 L152 F153 Y158 Y191A15-L155 HydrophobicContact CB-CB 4.09Å; A15-L155 HydrophobicContact CB-CD1 4.18Å; F40-L155 HydrophobicContact CE2-CD2 4.13Å; F40-L155 HydrophobicContact CZ-CD2 3.84Å; I131-L155 HydrophobicContact CD1-CD2 3.84Å; Y151-L155 HydrophobicContact CE2-CB 4.44Å; Y151-L155 HydrophobicContact CE2-CD2 3.8Å; Y151-L155 WeakPolarHBondContact O-CB 3.49Å; Y151-L155 PolarHBondContact O-N 2.99Å; Y151-L155 WeakPolarHBondContact OH-CD2 3.14Å; L152-L155 PolarHBondContact O-N 3.17Å; F153-L155 VanDerWaalsContact C-N 3.25Å; F153-L155 PolarHBondContact O-N 3.41Å; L155-Y158 HydrophobicContact CD1-CD1 3.99Å; L155-Y158 HydrophobicContact CD1-CE1 3.55Å; L155-Y158 HydrophobicContact CG-CD1 4.36Å; L155-Y158 HydrophobicContact CG-CE1 3.87Å; L155-Y158 WeakPolarHBondContact O-CD1 3.4Å; L155-Y158 WeakPolarHBondContact O-CE1 3.19Å; L155-Y191 WeakPolarHBondContact CD2-OH 3.31Å; L155-Y191 WeakPolarHBondContact CG-OH 3.27Å
156G90.7Very high88Confident1 Ų132.3 Ų32.31%0.0116%0.164CC..Hα-helixtrans-73.2-41.8171.300000111.7L152 F153 Y158 R159 A160L152-G156 PolarHBondContact O-N 3.22Å; F153-G156 PolarHBondContact O-N 3.27Å; G156-Y158 VanDerWaalsContact C-N 3.32Å; G156-Y158 PolarHBondContact O-N 3Å; G156-R159 PolarHBondContact O-N 3.45Å; G156-A160 PolarHBondContact O-N 2.95Å; G156-A160 VanDerWaalsContact O-N 3.14Å
157L92.6Very high89.2Confident56 Ų5633.1 Ų33.129%0.29316%0.164SC..Hα-helixtrans-61.8-39.8-173.7179.661.7000111.7F153 F154 R159 A160 L161F153-L157 HydrophobicContact CE1-CD2 4.06Å; F153-L157 HydrophobicContact CZ-CD2 4.37Å; F153-L157 VanDerWaalsContact O-CB 3.29Å; F153-L157 WeakPolarHBondContact O-CB 3.22Å; F153-L157 PolarHBondContact O-N 2.94Å; F154-L157 HydrophobicContact CD1-CD2 4.47Å; F154-L157 PolarHBondContact O-N 3.28Å; L157-R159 PolarHBondContact O-N 3.41Å; L157-A160 PolarHBondContact O-N 3.37Å; L157-L161 HydrophobicContact CD1-CD1 4.4Å; L157-L161 HydrophobicContact CD1-CG 4.35Å; L157-L161 HydrophobicContact CG-CD1 4.06Å; L157-L161 HydrophobicContact CG-CG 4.46Å; L157-L161 WeakPolarHBondContact O-CG 3.36Å; L157-L161 PolarHBondContact O-N 3.3Å
158Y93.6Very high90.1Very high3 Ų334.7 Ų34.71%0.01217%0.165CC..Hα-helixtrans-57.1-39.2175.692.2-104.4000111.3G8 H12 E127 F154 L155 G156 L161 Y162 Q187G8-Y158 VanDerWaalsContact O-CB 3.23Å; G8-Y158 WeakPolarHBondContact O-CB 3.18Å; H12-Y158 HydrophobicContact CB-CD1 3.93Å; H12-Y158 HydrophobicContact CB-CD2 4.33Å; H12-Y158 HydrophobicContact CB-CG 3.8Å; H12-Y158 AromaticContact CG-CD1 3.9Å; E127-Y158 PolarHBondContact OE1-OH 2.86Å; F154-Y158 PolarHBondContact O-N 2.97Å; F154-Y158 VanDerWaalsContact O-N 3.09Å; L155-Y158 HydrophobicContact CD1-CD1 3.99Å; L155-Y158 HydrophobicContact CD1-CE1 3.55Å; L155-Y158 HydrophobicContact CG-CD1 4.36Å; L155-Y158 HydrophobicContact CG-CE1 3.87Å; L155-Y158 WeakPolarHBondContact O-CD1 3.4Å; L155-Y158 WeakPolarHBondContact O-CE1 3.19Å; G156-Y158 VanDerWaalsContact C-N 3.32Å; G156-Y158 PolarHBondContact O-N 3Å; Y158-L161 PolarHBondContact O-N 2.89Å; Y158-Y162 HydrophobicContact CD2-CD2 4.16Å; Y158-Y162 WeakPolarHBondContact O-CD2 3.36Å; Y158-Y162 PolarHBondContact O-N 2.98Å; Y158-Q187 PolarHBondContact OH-NE2 2.78Å
159R90.7Very high90.7Very high14 Ų1436.8 Ų36.85%0.05317%0.173CC..Hα-helixtrans-72.6-39.7-177.2-169.257.358.5172.49.9111.8E127 G156 L157 L161 Y162 L163 Q187 T188E127-R159 IonicContact OE1-NH2 3.41Å; E127-R159 PolarHBondContact OE1-NH2 3.36Å; E127-R159 IonicContact OE2-CZ 3.48Å; E127-R159 IonicContact OE2-NH2 3.97Å; E127-R159 PolarHBondContact OE2-NH2 3.33Å; G156-R159 PolarHBondContact O-N 3.45Å; L157-R159 PolarHBondContact O-N 3.41Å; R159-L161 VanDerWaalsContact C-N 3.3Å; R159-L161 PolarHBondContact O-N 3.36Å; R159-Y162 WeakPolarHBondContact O-CB 3.35Å; R159-Y162 PolarHBondContact O-N 3.2Å; R159-Y162 VanDerWaalsContact O-N 3.11Å; R159-L163 PolarHBondContact O-N 3.35Å; R159-Q187 HydrophobicContact CG-CB 4.12Å; R159-Q187 HydrophobicContact CG-CG 4.18Å; R159-T188 VanDerWaalsContact CG-OG1 3.28Å; R159-T188 WeakPolarHBondContact CG-OG1 3.39Å
160A90.9Very high91.4Very high29 Ų2941.7 Ų41.724%0.2419%0.194CC..Hα-helixtrans-58.6-42.817200000111.6G156 L157 Y162 L163 I164G156-A160 PolarHBondContact O-N 2.95Å; G156-A160 VanDerWaalsContact O-N 3.14Å; L157-A160 PolarHBondContact O-N 3.37Å; A160-Y162 VanDerWaalsContact C-N 3.31Å; A160-Y162 PolarHBondContact O-N 3.45Å; A160-L163 WeakPolarHBondContact O-CB 3.29Å; A160-L163 PolarHBondContact O-N 3.3Å; A160-I164 WeakPolarHBondContact O-CG1 3.41Å; A160-I164 PolarHBondContact O-N 3.36Å
161L93.4Very high91.7Very high30 Ų3046.8 Ų46.816%0.15721%0.212CC..Hα-helixtrans-64.6-35.1174.8-69.5168.5000112.2L157 Y158 R159 I164 N165L157-L161 HydrophobicContact CD1-CD1 4.4Å; L157-L161 HydrophobicContact CD1-CG 4.35Å; L157-L161 HydrophobicContact CG-CD1 4.06Å; L157-L161 HydrophobicContact CG-CG 4.46Å; L157-L161 WeakPolarHBondContact O-CG 3.36Å; L157-L161 PolarHBondContact O-N 3.3Å; Y158-L161 PolarHBondContact O-N 2.89Å; R159-L161 VanDerWaalsContact C-N 3.3Å; R159-L161 PolarHBondContact O-N 3.36Å; L161-I164 PolarHBondContact O-N 2.89Å; L161-N165 WeakPolarHBondContact O-CB 3.49Å; L161-N165 PolarHBondContact O-N 2.94Å
162Y92.2Very high91.9Very high38 Ų3852 Ų5215%0.14924%0.24CC..Hα-helixtrans-66.8-36.5174.8-99.5-102.1000113.2D9 Y158 R159 A160 N165 W166D9-Y162 WeakPolarHBondContact OD1-CE2 3.41Å; D9-Y162 PolarHBondContact OD1-OH 2.92Å; Y158-Y162 HydrophobicContact CD2-CD2 4.16Å; Y158-Y162 WeakPolarHBondContact O-CD2 3.36Å; Y158-Y162 PolarHBondContact O-N 2.98Å; R159-Y162 WeakPolarHBondContact O-CB 3.35Å; R159-Y162 PolarHBondContact O-N 3.2Å; R159-Y162 VanDerWaalsContact O-N 3.11Å; A160-Y162 VanDerWaalsContact C-N 3.31Å; A160-Y162 PolarHBondContact O-N 3.45Å; Y162-N165 WeakPolarHBondContact O-CB 3.5Å; Y162-N165 PolarHBondContact O-N 3.42Å; Y162-W166 HydrophobicContact CD1-CZ2 4.05Å; Y162-W166 VanDerWaalsContact O-CD2 3.25Å; Y162-W166 PolarHBondContact O-N 3.32Å
163L91.9Very high92Very high40 Ų4056.8 Ų56.821%0.20926%0.262CS..Hα-helixtrans-60.1-46.1171.3-72.2172.2000111.1R159 A160 N165 W166 I167 V185 T188R159-L163 PolarHBondContact O-N 3.35Å; A160-L163 WeakPolarHBondContact O-CB 3.29Å; A160-L163 PolarHBondContact O-N 3.3Å; L163-N165 VanDerWaalsContact C-N 3.33Å; L163-N165 PolarHBondContact O-N 2.88Å; L163-W166 HydrophobicContact CD2-CE3 3.76Å; L163-W166 HydrophobicContact CD2-CZ3 3.63Å; L163-W166 HydrophobicContact CG-CE3 4.42Å; L163-W166 HydrophobicContact CG-CZ3 4.26Å; L163-W166 PolarHBondContact O-N 3.32Å; L163-W166 VanDerWaalsContact O-N 3.16Å; L163-I167 WeakPolarHBondContact O-CG1 3.37Å; L163-I167 PolarHBondContact O-N 2.86Å; L163-I167 VanDerWaalsContact O-N 3.08Å; L163-V185 HydrophobicContact CD2-CG2 3.65Å; L163-T188 HydrophobicContact CD1-CG2 3.82Å; L163-T188 VanDerWaalsContact CD1-OG1 3.22Å; L163-T188 WeakPolarHBondContact CD1-OG1 3.14Å
164I93.1Very high92Very high75 Ų7557 Ų5739%0.38528%0.28SS..Hα-helixtrans-63.6-40.6176.8-59.3168.5000110.7F4 A160 L161 W166 I167 W168F4-I164 HydrophobicContact CD1-CB 4.25Å; F4-I164 HydrophobicContact CD1-CG2 3.59Å; F4-I164 HydrophobicContact CD2-CG2 4.02Å; F4-I164 HydrophobicContact CE1-CG2 3.62Å; F4-I164 HydrophobicContact CE2-CG2 4.05Å; F4-I164 HydrophobicContact CG-CB 4.39Å; F4-I164 HydrophobicContact CG-CG2 3.8Å; F4-I164 HydrophobicContact CZ-CG2 3.85Å; A160-I164 WeakPolarHBondContact O-CG1 3.41Å; A160-I164 PolarHBondContact O-N 3.36Å; L161-I164 PolarHBondContact O-N 2.89Å; I164-W166 VanDerWaalsContact C-N 3.33Å; I164-W166 PolarHBondContact O-N 2.89Å; I164-I167 PolarHBondContact O-N 2.92Å; I164-W168 WeakPolarHBondContact O-CB 3.27Å; I164-W168 PolarHBondContact O-N 3.19Å
165N92.4Very high91.8Very high2 Ų257.6 Ų57.61%0.01128%0.282CS..Hα-helixtrans-57.7-42.7173160.677.5000111.9N2 F4 L161 Y162 L163 W168 R169N2-N165 PolarHBondContact ND2-OD1 3.32Å; N2-N165 PolarHBondContact OD1-OD1 2.89Å; F4-N165 HydrophobicContact CB-CB 3.85Å; L161-N165 WeakPolarHBondContact O-CB 3.49Å; L161-N165 PolarHBondContact O-N 2.94Å; Y162-N165 WeakPolarHBondContact O-CB 3.5Å; Y162-N165 PolarHBondContact O-N 3.42Å; L163-N165 VanDerWaalsContact C-N 3.33Å; L163-N165 PolarHBondContact O-N 2.88Å; N165-W168 WeakPolarHBondContact O-CB 3.4Å; N165-W168 PolarHBondContact O-N 3.09Å; N165-R169 WeakPolarHBondContact O-CB 3.46Å; N165-R169 VanDerWaalsContact O-CG 3.27Å; N165-R169 WeakPolarHBondContact O-CG 3.38Å; N165-R169 PolarHBondContact O-N 3.48Å
166W92.1Very high91.7Very high24 Ų2463.2 Ų63.29%0.09131%0.307CS..Hα-helixtrans-67.6-38.9178.5-64-42.5000112.4Y162 L163 I164 R169 F170 A180 I181Y162-W166 HydrophobicContact CD1-CZ2 4.05Å; Y162-W166 VanDerWaalsContact O-CD2 3.25Å; Y162-W166 PolarHBondContact O-N 3.32Å; L163-W166 HydrophobicContact CD2-CE3 3.76Å; L163-W166 HydrophobicContact CD2-CZ3 3.63Å; L163-W166 HydrophobicContact CG-CE3 4.42Å; L163-W166 HydrophobicContact CG-CZ3 4.26Å; L163-W166 PolarHBondContact O-N 3.32Å; L163-W166 VanDerWaalsContact O-N 3.16Å; I164-W166 VanDerWaalsContact C-N 3.33Å; I164-W166 PolarHBondContact O-N 2.89Å; W166-R169 PolarHBondContact O-N 3.38Å; W166-F170 WeakPolarHBondContact O-CB 3.26Å; W166-F170 PolarHBondContact O-N 2.89Å; W166-A180 WeakPolarHBondContact CH2-O 3.35Å; W166-A180 HydrophobicContact CZ2-CB 4Å; W166-A180 WeakPolarHBondContact CZ3-O 3.3Å; W166-I181 HydrophobicContact CB-CD1 4.38Å; W166-I181 HydrophobicContact CB-CG1 4.04Å; W166-I181 HydrophobicContact CD2-CG1 3.92Å; W166-I181 HydrophobicContact CE3-CB 4.35Å; W166-I181 HydrophobicContact CE3-CG1 3.91Å; W166-I181 HydrophobicContact CG-CG1 3.98Å
167I92.1Very high91.7Very high100 Ų10064 Ų6451%0.51331%0.311SS..Hα-helixtrans-58.3-50172.1-65.3168.6000109.9L163 I164 R169 F170 Y171L163-I167 WeakPolarHBondContact O-CG1 3.37Å; L163-I167 PolarHBondContact O-N 2.86Å; L163-I167 VanDerWaalsContact O-N 3.08Å; I164-I167 PolarHBondContact O-N 2.92Å; I167-R169 PolarHBondContact O-N 3.4Å; I167-F170 PolarHBondContact O-N 3.39Å; I167-Y171 HydrophobicContact CG2-CD2 3.81Å; I167-Y171 HydrophobicContact CG2-CE2 3.8Å; I167-Y171 VanDerWaalsContact O-CD2 3.26Å; I167-Y171 WeakPolarHBondContact O-CD2 3.47Å; I167-Y171 PolarHBondContact O-N 3.11Å; I167-Y171 VanDerWaalsContact O-N 3.11Å
168W92.6Very high91.7Very high114 Ų11467.3 Ų67.343%0.43233%0.326SS..Hα-helixtrans-56.8-47.3178.1179.8-81.8000112.6F4 I164 N165 F170 Y171 L172F4-W168 HydrophobicContact CD2-CB 4.27Å; F4-W168 HydrophobicContact CD2-CD2 4.36Å; F4-W168 HydrophobicContact CD2-CE3 4.42Å; F4-W168 HydrophobicContact CD2-CG 4.34Å; F4-W168 HydrophobicContact CE2-CB 4.43Å; F4-W168 AromaticContact CE2-CD2 3.97Å; F4-W168 HydrophobicContact CE2-CD2 3.97Å; F4-W168 AromaticContact CE2-CE3 3.61Å; F4-W168 HydrophobicContact CE2-CE3 3.61Å; F4-W168 HydrophobicContact CE2-CG 4.36Å; F4-W168 HydrophobicContact CE2-CZ3 4.16Å; I164-W168 WeakPolarHBondContact O-CB 3.27Å; I164-W168 PolarHBondContact O-N 3.19Å; N165-W168 WeakPolarHBondContact O-CB 3.4Å; N165-W168 PolarHBondContact O-N 3.09Å; W168-F170 VanDerWaalsContact C-N 3.35Å; W168-Y171 PolarHBondContact O-N 2.86Å; W168-L172 HydrophobicContact CD2-CD1 3.91Å; W168-L172 HydrophobicContact CE3-CD1 4.47Å; W168-L172 HydrophobicContact CG-CD1 4.45Å; W168-L172 HydrophobicContact CH2-CD1 3.98Å; W168-L172 HydrophobicContact CZ2-CD1 3.31Å; W168-L172 PolarHBondContact O-N 3.39Å
169R91.3Very high91.6Very high46 Ų4667.9 Ų67.917%0.17433%0.329CS..Hα-helixtrans-68.2-33.2-180-68.7-17473.3-147-7.6112.6N165 W166 I167 E173 G174 F175N165-R169 WeakPolarHBondContact O-CB 3.46Å; N165-R169 VanDerWaalsContact O-CG 3.27Å; N165-R169 WeakPolarHBondContact O-CG 3.38Å; N165-R169 PolarHBondContact O-N 3.48Å; W166-R169 PolarHBondContact O-N 3.38Å; I167-R169 PolarHBondContact O-N 3.4Å; R169-E173 IonicContact CZ-OE2 2.96Å; R169-E173 IonicContact NE-OE1 3.41Å; R169-E173 IonicContact NE-OE2 2.73Å; R169-E173 PolarHBondContact NE-OE2 2.97Å; R169-E173 IonicContact NH2-OE2 2.94Å; R169-E173 PolarHBondContact NH2-OE2 3.07Å; R169-E173 VanDerWaalsContact NH2-OE2 3.13Å; R169-E173 CarbonylContact O-C 3.46Å; R169-E173 VanDerWaalsContact O-CA 3.31Å; R169-E173 WeakPolarHBondContact O-CA 3.26Å; R169-E173 VanDerWaalsContact O-CB 3.27Å; R169-E173 WeakPolarHBondContact O-CB 3.36Å; R169-E173 PolarHBondContact O-N 2.71Å; R169-G174 PolarHBondContact O-N 3.1Å; R169-G174 VanDerWaalsContact O-N 3.12Å; R169-F175 HydrophobicContact CB-CB 4.32Å; R169-F175 HydrophobicContact CB-CD1 4.46Å; R169-F175 VanDerWaalsContact CZ-CG 3.46Å; R169-F175 VanDerWaalsContact NH2-CD2 3.25Å; R169-F175 PolarHBondContact O-N 2.81Å
170F92.5Very high91.6Very high104 Ų10467.5 Ų67.546%0.45633%0.329SS..Hα-helixtrans-62.7-49.3173.9179.5-102.3000111.1W166 I167 W168 G174 F175 F176W166-F170 WeakPolarHBondContact O-CB 3.26Å; W166-F170 PolarHBondContact O-N 2.89Å; I167-F170 PolarHBondContact O-N 3.39Å; W168-F170 VanDerWaalsContact C-N 3.35Å; F170-G174 WeakPolarHBondContact O-CA 3.39Å; F170-G174 PolarHBondContact O-N 2.95Å; F170-F175 WeakPolarHBondContact CA-O 3.46Å; F170-F176 HydrophobicContact CD2-CB 4.17Å; F170-F176 AromaticContact CD2-CD2 3.91Å; F170-F176 HydrophobicContact CD2-CD2 3.91Å; F170-F176 HydrophobicContact CD2-CG 4.43Å; F170-F176 HydrophobicContact CE2-CD2 4.21Å
171Y92.8Very high91.7Very high178 Ų17868 Ų6870%0.69833%0.327SS*.Hα-helixtrans-71.9-38.2-177.7-79.4-74.2000114.2I167 W168I167-Y171 HydrophobicContact CG2-CD2 3.81Å; I167-Y171 HydrophobicContact CG2-CE2 3.8Å; I167-Y171 VanDerWaalsContact O-CD2 3.26Å; I167-Y171 WeakPolarHBondContact O-CD2 3.47Å; I167-Y171 PolarHBondContact O-N 3.11Å; I167-Y171 VanDerWaalsContact O-N 3.11Å; W168-Y171 PolarHBondContact O-N 2.86Å
172L93.1Very high91.8Very high115 Ų11570.2 Ų70.260%0.60234%0.342SS*.Hα-helixtrans-99.3-30.6-174-63.2-170.1000114.8W168W168-L172 HydrophobicContact CD2-CD1 3.91Å; W168-L172 HydrophobicContact CE3-CD1 4.47Å; W168-L172 HydrophobicContact CG-CD1 4.45Å; W168-L172 HydrophobicContact CH2-CD1 3.98Å; W168-L172 HydrophobicContact CZ2-CD1 3.31Å; W168-L172 PolarHBondContact O-N 3.39Å
173E91.2Very high91.8Very high100 Ų10068.7 Ų68.747%0.46734%0.338SS..Hα-helixtrans-110.1-8.8-175.7-54.9172.2-162.500112.2R169 F175R169-E173 IonicContact CZ-OE2 2.96Å; R169-E173 IonicContact NE-OE1 3.41Å; R169-E173 IonicContact NE-OE2 2.73Å; R169-E173 PolarHBondContact NE-OE2 2.97Å; R169-E173 IonicContact NH2-OE2 2.94Å; R169-E173 PolarHBondContact NH2-OE2 3.07Å; R169-E173 VanDerWaalsContact NH2-OE2 3.13Å; R169-E173 CarbonylContact O-C 3.46Å; R169-E173 VanDerWaalsContact O-CA 3.31Å; R169-E173 WeakPolarHBondContact O-CA 3.26Å; R169-E173 VanDerWaalsContact O-CB 3.27Å; R169-E173 WeakPolarHBondContact O-CB 3.36Å; R169-E173 PolarHBondContact O-N 2.71Å; E173-F175 HydrophobicContact CB-CB 4.26Å; E173-F175 PolarHBondContact O-N 2.83Å
174G89.5Confident91.8Very high60 Ų6066.8 Ų66.862%0.61933%0.328SS*.  trans64.213-171.700000113.6R169 F170R169-G174 PolarHBondContact O-N 3.1Å; R169-G174 VanDerWaalsContact O-N 3.12Å; F170-G174 WeakPolarHBondContact O-CA 3.39Å; F170-G174 PolarHBondContact O-N 2.95Å
175F88.3Confident91.8Very high77 Ų7766.1 Ų66.134%0.33833%0.327SS..  trans-82.1129.2-176.3176.4-86.5000110.8R169 F170 E173 D177R169-F175 HydrophobicContact CB-CB 4.32Å; R169-F175 HydrophobicContact CB-CD1 4.46Å; R169-F175 VanDerWaalsContact CZ-CG 3.46Å; R169-F175 VanDerWaalsContact NH2-CD2 3.25Å; R169-F175 PolarHBondContact O-N 2.81Å; F170-F175 WeakPolarHBondContact CA-O 3.46Å; E173-F175 HydrophobicContact CB-CB 4.26Å; E173-F175 PolarHBondContact O-N 2.83Å; F175-D177 HydrophobicContact CE1-CB 3.8Å; F175-D177 HydrophobicContact CZ-CB 3.85Å
176F88.1Confident91.9Very high122 Ų12268.9 Ų68.954%0.53534%0.343SS..  trans-140.3120.7178.5-174-103.5000110.8F170 M178 I181F170-F176 HydrophobicContact CD2-CB 4.17Å; F170-F176 AromaticContact CD2-CD2 3.91Å; F170-F176 HydrophobicContact CD2-CD2 3.91Å; F170-F176 HydrophobicContact CD2-CG 4.43Å; F170-F176 HydrophobicContact CE2-CD2 4.21Å; F176-M178 HydrophobicContact CE1-CB 3.78Å; F176-M178 HydrophobicContact CE1-CG 4.21Å; F176-M178 HydrophobicContact CZ-CB 4.3Å; F176-M178 HydrophobicContact CZ-CG 4.41Å; F176-I181 HydrophobicContact CD2-CD1 3.52Å; F176-I181 HydrophobicContact CE2-CD1 3.42Å; F176-I181 VanDerWaalsContact CE2-CD1 3.42Å; F176-I181 HydrophobicContact CG-CD1 4.38Å; F176-I181 HydrophobicContact CZ-CD1 4.22Å
177D91.4Very high91.9Very high18 Ų1867.8 Ų67.810%0.09634%0.339CS..  trans-123.4100.3174.9-179.9-13.1000108.9H111 W120 F175 I179 A180 I181H111-D177 IonicContact CE1-OD1 3.79Å; H111-D177 PolarHBondContact CE1-OD1 3.14Å; H111-D177 IonicContact NE2-OD1 2.69Å; H111-D177 PolarHBondContact NE2-OD1 3.21Å; H111-D177 IonicContact NE2-OD2 2.66Å; W120-D177 WeakPolarHBondContact CH2-OD2 3.36Å; F175-D177 HydrophobicContact CE1-CB 3.8Å; F175-D177 HydrophobicContact CZ-CB 3.85Å; D177-I179 VanDerWaalsContact C-N 3.31Å; D177-I179 PolarHBondContact O-N 3.42Å; D177-I179 PolarHBondContact OD1-N 2.98Å; D177-I179 VanDerWaalsContact OD1-N 3.17Å; D177-A180 HydrophobicContact CB-CB 4.1Å; D177-A180 PolarHBondContact O-N 2.88Å; D177-A180 PolarHBondContact OD1-N 3.36Å; D177-A180 VanDerWaalsContact OD1-N 3.17Å; D177-I181 WeakPolarHBondContact O-CB 3.36Å; D177-I181 WeakPolarHBondContact O-CD1 3.42Å; D177-I181 WeakPolarHBondContact O-CG1 3.22Å; D177-I181 PolarHBondContact O-N 3.38Å
178M91.9Very high91.8Very high125 Ų12564 Ų6462%0.61632%0.321SS*.Hα-helixtrans-63.9-36.8-173.8-166.9172.2-178.300112.4F176 V182F176-M178 HydrophobicContact CE1-CB 3.78Å; F176-M178 HydrophobicContact CE1-CG 4.21Å; F176-M178 HydrophobicContact CZ-CB 4.3Å; F176-M178 HydrophobicContact CZ-CG 4.41Å; M178-V182 HydrophobicContact CG-CG2 4.2Å; M178-V182 WeakPolarHBondContact O-CB 3.31Å; M178-V182 VanDerWaalsContact O-CG2 3.26Å; M178-V182 WeakPolarHBondContact O-CG2 3.38Å; M178-V182 PolarHBondContact O-N 3.5Å
179I92.5Very high91.7Very high14 Ų1463.6 Ų63.67%0.07233%0.326CS..Hα-helixtrans-64-51.9179.9-68-176.9000109.3T121 I124 Y125 D177 I181 A183T121-I179 HydrophobicContact CG2-CD1 4.26Å; T121-I179 HydrophobicContact CG2-CG2 4.17Å; I124-I179 HydrophobicContact CG2-CG2 4.11Å; Y125-I179 HydrophobicContact CD1-CG2 4.48Å; Y125-I179 HydrophobicContact CE1-CG2 3.66Å; D177-I179 VanDerWaalsContact C-N 3.31Å; D177-I179 PolarHBondContact O-N 3.42Å; D177-I179 PolarHBondContact OD1-N 2.98Å; D177-I179 VanDerWaalsContact OD1-N 3.17Å; I179-I181 PolarHBondContact O-N 3.48Å; I179-A183 VanDerWaalsContact O-CB 3.26Å; I179-A183 WeakPolarHBondContact O-CB 3.45Å; I179-A183 PolarHBondContact O-N 3.06Å
180A91.3Very high91.6Very high7 Ų763.9 Ų63.96%0.05833%0.331CS..Hα-helixtrans-62.5-43179.800000112.2W166 D177 G184W166-A180 WeakPolarHBondContact CH2-O 3.35Å; W166-A180 HydrophobicContact CZ2-CB 4Å; W166-A180 WeakPolarHBondContact CZ3-O 3.3Å; D177-A180 HydrophobicContact CB-CB 4.1Å; D177-A180 PolarHBondContact O-N 2.88Å; D177-A180 PolarHBondContact OD1-N 3.36Å; D177-A180 VanDerWaalsContact OD1-N 3.17Å; A180-G184 PolarHBondContact O-N 2.87Å
181I92.9Very high91.3Very high38 Ų3859 Ų5920%0.19531%0.309CS..Hα-helixtrans-64.6-52.3-179-69.2165.7000110.9W166 F176 D177 I179 A183 G184 V185W166-I181 HydrophobicContact CB-CD1 4.38Å; W166-I181 HydrophobicContact CB-CG1 4.04Å; W166-I181 HydrophobicContact CD2-CG1 3.92Å; W166-I181 HydrophobicContact CE3-CB 4.35Å; W166-I181 HydrophobicContact CE3-CG1 3.91Å; W166-I181 HydrophobicContact CG-CG1 3.98Å; F176-I181 HydrophobicContact CD2-CD1 3.52Å; F176-I181 HydrophobicContact CE2-CD1 3.42Å; F176-I181 VanDerWaalsContact CE2-CD1 3.42Å; F176-I181 HydrophobicContact CG-CD1 4.38Å; F176-I181 HydrophobicContact CZ-CD1 4.22Å; D177-I181 WeakPolarHBondContact O-CB 3.36Å; D177-I181 WeakPolarHBondContact O-CD1 3.42Å; D177-I181 WeakPolarHBondContact O-CG1 3.22Å; D177-I181 PolarHBondContact O-N 3.38Å; I179-I181 PolarHBondContact O-N 3.48Å; I181-A183 PolarHBondContact O-N 3.29Å; I181-G184 PolarHBondContact O-N 3.22Å; I181-V185 HydrophobicContact CG2-CG2 4.5Å; I181-V185 WeakPolarHBondContact O-CG2 3.29Å; I181-V185 PolarHBondContact O-N 3.18Å
182V93.8Very high91Very high78 Ų7853.6 Ų53.647%0.47330%0.297SS..Hα-helixtrans-62.5-46.5-177.9172.60000110.8M178 G184 V185 V186M178-V182 HydrophobicContact CG-CG2 4.2Å; M178-V182 WeakPolarHBondContact O-CB 3.31Å; M178-V182 VanDerWaalsContact O-CG2 3.26Å; M178-V182 WeakPolarHBondContact O-CG2 3.38Å; M178-V182 PolarHBondContact O-N 3.5Å; V182-G184 VanDerWaalsContact C-N 3.3Å; V182-G184 PolarHBondContact O-N 3.03Å; V182-V185 PolarHBondContact O-N 3.33Å; V182-V186 WeakPolarHBondContact O-CG2 3.27Å; V182-V186 PolarHBondContact O-N 2.9Å
183A93.3Very high90.3Very high6 Ų652.9 Ų52.95%0.0529%0.294CS..Hα-helixtrans-61.3-39.5176.700000112I124 Y125 S128 I179 I181 V186 Q187I124-A183 HydrophobicContact CG2-CB 3.54Å; Y125-A183 HydrophobicContact CD1-CB 4.15Å; S128-A183 VanDerWaalsContact CB-O 3.27Å; S128-A183 WeakPolarHBondContact CB-O 3.41Å; I179-A183 VanDerWaalsContact O-CB 3.26Å; I179-A183 WeakPolarHBondContact O-CB 3.45Å; I179-A183 PolarHBondContact O-N 3.06Å; I181-A183 PolarHBondContact O-N 3.29Å; A183-V186 PolarHBondContact O-N 3.48Å; A183-Q187 WeakPolarHBondContact O-CB 3.47Å; A183-Q187 PolarHBondContact O-N 3.38Å
184G91.8Very high89.7Confident0 Ų048.6 Ų48.60%027%0.274CS..Hα-helixtrans-69.6-32.517700000114.1A180 I181 V182 T188A180-G184 PolarHBondContact O-N 2.87Å; I181-G184 PolarHBondContact O-N 3.22Å; V182-G184 VanDerWaalsContact C-N 3.3Å; V182-G184 PolarHBondContact O-N 3.03Å; G184-T188 WeakPolarHBondContact O-CB 3.29Å; G184-T188 PolarHBondContact O-N 2.55Å; G184-T188 PolarHBondContact O-OG1 2.92Å
185V93.6Very high89.4Confident60 Ų6047.7 Ų47.736%0.36425%0.253SS..Hα-helixtrans-65.2-49.9171.3169.50000110.1L163 I181 V182 Q187 T188 I189L163-V185 HydrophobicContact CD2-CG2 3.65Å; I181-V185 HydrophobicContact CG2-CG2 4.5Å; I181-V185 WeakPolarHBondContact O-CG2 3.29Å; I181-V185 PolarHBondContact O-N 3.18Å; V182-V185 PolarHBondContact O-N 3.33Å; V185-Q187 VanDerWaalsContact C-N 3.27Å; V185-Q187 PolarHBondContact O-N 3.12Å; V185-T188 PolarHBondContact O-N 3.25Å; V185-T188 VanDerWaalsContact O-N 3.12Å; V185-I189 HydrophobicContact CG1-CD1 3.75Å; V185-I189 HydrophobicContact CG1-CG1 4.4Å; V185-I189 WeakPolarHBondContact O-CG1 3.34Å; V185-I189 PolarHBondContact O-N 2.73Å
186V93.6Very high89.1Confident60 Ų6051.4 Ų51.436%0.36427%0.266SS..Hα-helixtrans-53.1-48.5175.1169.50000110.4V182 A183 T188 I189 L190V182-V186 WeakPolarHBondContact O-CG2 3.27Å; V182-V186 PolarHBondContact O-N 2.9Å; A183-V186 PolarHBondContact O-N 3.48Å; V186-T188 PolarHBondContact O-N 3.25Å; V186-I189 PolarHBondContact O-N 3.5Å; V186-L190 HydrophobicContact CG1-CD1 4.45Å; V186-L190 WeakPolarHBondContact O-CG 3.45Å; V186-L190 PolarHBondContact O-N 3.5Å; V186-L190 VanDerWaalsContact O-N 3.15Å
187Q92.1Very high88.5Confident1 Ų146.1 Ų46.11%0.00524%0.243CC..Hα-helixtrans-60-45.5179.2-168.1166.79.100112.3E127 Y158 R159 A183 V185 I189 L190 Y191E127-Q187 PolarHBondContact O-NE2 3.25Å; Y158-Q187 PolarHBondContact OH-NE2 2.78Å; R159-Q187 HydrophobicContact CG-CB 4.12Å; R159-Q187 HydrophobicContact CG-CG 4.18Å; A183-Q187 WeakPolarHBondContact O-CB 3.47Å; A183-Q187 PolarHBondContact O-N 3.38Å; V185-Q187 VanDerWaalsContact C-N 3.27Å; V185-Q187 PolarHBondContact O-N 3.12Å; Q187-I189 VanDerWaalsContact C-N 3.34Å; Q187-I189 PolarHBondContact O-N 3.06Å; Q187-L190 PolarHBondContact O-N 2.98Å; Q187-Y191 HydrophobicContact CG-CD2 4.25Å; Q187-Y191 HydrophobicContact CG-CE2 3.85Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.32Å; Q187-Y191 PolarHBondContact O-N 2.94Å
188T90.1Very high87.8Confident20 Ų2045.8 Ų45.812%0.12324%0.24CC..Hα-helixtrans-63.7-41.3-179.7-57.10000111.5R159 L163 G184 V185 V186 L190 Y191 C192R159-T188 VanDerWaalsContact CG-OG1 3.28Å; R159-T188 WeakPolarHBondContact CG-OG1 3.39Å; L163-T188 HydrophobicContact CD1-CG2 3.82Å; L163-T188 VanDerWaalsContact CD1-OG1 3.22Å; L163-T188 WeakPolarHBondContact CD1-OG1 3.14Å; G184-T188 WeakPolarHBondContact O-CB 3.29Å; G184-T188 PolarHBondContact O-N 2.55Å; G184-T188 PolarHBondContact O-OG1 2.92Å; V185-T188 PolarHBondContact O-N 3.25Å; V185-T188 VanDerWaalsContact O-N 3.12Å; V186-T188 PolarHBondContact O-N 3.25Å; T188-L190 VanDerWaalsContact C-N 3.28Å; T188-L190 PolarHBondContact O-N 3.4Å; T188-Y191 WeakPolarHBondContact O-CA 3.35Å; T188-Y191 PolarHBondContact O-N 3.2Å; T188-C192 PolarHBondContact O-N 2.89Å; T188-C192 VanDerWaalsContact O-N 3.16Å; T188-C192 PolarHBondContact O-SG 3.18Å; T188-C192 VanDerWaalsContact O-SG 3.41Å
189I91.2Very high87.3Confident107 Ų10743.4 Ų43.455%0.54923%0.233SC..Hα-helixtrans-59.2-41.5177.2-70.4169000110.9V185 V186 Q187 Y191 C192V185-I189 HydrophobicContact CG1-CD1 3.75Å; V185-I189 HydrophobicContact CG1-CG1 4.4Å; V185-I189 WeakPolarHBondContact O-CG1 3.34Å; V185-I189 PolarHBondContact O-N 2.73Å; V186-I189 PolarHBondContact O-N 3.5Å; Q187-I189 VanDerWaalsContact C-N 3.34Å; Q187-I189 PolarHBondContact O-N 3.06Å; I189-Y191 PolarHBondContact O-N 3.33Å; I189-C192 WeakPolarHBondContact O-CB 3.43Å; I189-C192 PolarHBondContact O-N 2.99Å
190L88.8Confident86.6Confident52 Ų5244.8 Ų44.827%0.27224%0.242SC..Hα-helixtrans-63.1-25.1176.6-68.1175.5000113.1S128 V129 L132 V186 Q187 T188S128-L190 WeakPolarHBondContact O-CD1 3.36Å; V129-L190 HydrophobicContact CG1-CD1 4.41Å; L132-L190 HydrophobicContact CD2-CD1 3.92Å; L132-L190 HydrophobicContact CD2-CD2 3.81Å; L132-L190 HydrophobicContact CD2-CG 4.42Å; L132-L190 HydrophobicContact CG-CD1 4.2Å; V186-L190 HydrophobicContact CG1-CD1 4.45Å; V186-L190 WeakPolarHBondContact O-CG 3.45Å; V186-L190 PolarHBondContact O-N 3.5Å; V186-L190 VanDerWaalsContact O-N 3.15Å; Q187-L190 PolarHBondContact O-N 2.98Å; T188-L190 VanDerWaalsContact C-N 3.28Å; T188-L190 PolarHBondContact O-N 3.4Å
191Y86.1Confident85.8Confident0 Ų046.9 Ų46.90%025%0.25CC..Hα-helixtrans-86.9-13.2173.2-74.1-77.5000114.1I131 L152 L155 Q187 T188 I189 D193 F194 F195I131-Y191 WeakPolarHBondContact CB-OH 3.26Å; I131-Y191 HydrophobicContact CG1-CE1 3.87Å; I131-Y191 WeakPolarHBondContact CG1-OH 3.47Å; I131-Y191 HydrophobicContact CG2-CE1 4.42Å; I131-Y191 HydrophobicContact CG2-CE2 4.18Å; L152-Y191 HydrophobicContact CD2-CE1 4.48Å; L155-Y191 WeakPolarHBondContact CD2-OH 3.31Å; L155-Y191 WeakPolarHBondContact CG-OH 3.27Å; Q187-Y191 HydrophobicContact CG-CD2 4.25Å; Q187-Y191 HydrophobicContact CG-CE2 3.85Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.32Å; Q187-Y191 PolarHBondContact O-N 2.94Å; T188-Y191 WeakPolarHBondContact O-CA 3.35Å; T188-Y191 PolarHBondContact O-N 3.2Å; I189-Y191 PolarHBondContact O-N 3.33Å; Y191-D193 PolarHBondContact O-N 2.92Å; Y191-F194 WeakPolarHBondContact O-CB 3.33Å; Y191-F194 PolarHBondContact O-N 3.18Å; Y191-F195 VanDerWaalsContact O-CD2 3.24Å; Y191-F195 WeakPolarHBondContact O-CD2 3.37Å; Y191-F195 WeakPolarHBondContact O-CG 3.33Å; Y191-F195 PolarHBondContact O-N 2.66Å
192C86Confident85.1Confident65 Ų6545.9 Ų45.944%0.43925%0.246SC..Hα-helixtrans-59.5-45.9-173.8-76.40000113.1T188 I189 F194 F195 Y196T188-C192 PolarHBondContact O-N 2.89Å; T188-C192 VanDerWaalsContact O-N 3.16Å; T188-C192 PolarHBondContact O-SG 3.18Å; T188-C192 VanDerWaalsContact O-SG 3.41Å; I189-C192 WeakPolarHBondContact O-CB 3.43Å; I189-C192 PolarHBondContact O-N 2.99Å; C192-F194 VanDerWaalsContact C-N 3.33Å; C192-F194 PolarHBondContact O-N 3.12Å; C192-F195 PolarHBondContact O-N 3.35Å; C192-Y196 PolarHBondContact O-N 2.68Å
193D78.3Confident84.2Confident101 Ų10147.5 Ų47.554%0.5425%0.251SS..Hα-helixtrans-64.5-41.6178.5-172.740.9000111.2Y191 F195 Y196 L197Y191-D193 PolarHBondContact O-N 2.92Å; D193-F195 PolarHBondContact O-N 2.96Å; D193-Y196 PolarHBondContact O-N 3.22Å; D193-L197 WeakPolarHBondContact O-CG 3.39Å; D193-L197 PolarHBondContact O-N 3.48Å
194F80.2Confident83.5Confident10 Ų1054.5 Ų54.54%0.04428%0.28CS..Hα-helixtrans-59.2-45.3173.3174.8-94.4000112.1L135 T149 L152 F153 Y191 C192 Y196 L197 Y198 L208L135-F194 HydrophobicContact CD2-CB 4.42Å; T149-F194 HydrophobicContact CG2-CE2 4.28Å; T149-F194 HydrophobicContact CG2-CZ 4.43Å; T149-F194 WeakPolarHBondContact O-CZ 3.33Å; L152-F194 HydrophobicContact CB-CD1 4Å; L152-F194 HydrophobicContact CB-CD2 4.33Å; L152-F194 HydrophobicContact CB-CE1 3.37Å; L152-F194 HydrophobicContact CB-CE2 3.74Å; L152-F194 HydrophobicContact CB-CG 4.46Å; L152-F194 HydrophobicContact CB-CZ 3.24Å; L152-F194 HydrophobicContact CD1-CD2 3.81Å; L152-F194 HydrophobicContact CD1-CE2 3.36Å; L152-F194 HydrophobicContact CD1-CZ 3.82Å; L152-F194 HydrophobicContact CG-CE2 4.2Å; L152-F194 HydrophobicContact CG-CZ 4.16Å; F153-F194 HydrophobicContact CB-CE1 4.45Å; Y191-F194 WeakPolarHBondContact O-CB 3.33Å; Y191-F194 PolarHBondContact O-N 3.18Å; C192-F194 VanDerWaalsContact C-N 3.33Å; C192-F194 PolarHBondContact O-N 3.12Å; F194-Y196 PolarHBondContact O-N 3.02Å; F194-L197 PolarHBondContact O-N 3.39Å; F194-Y198 HydrophobicContact CE1-CD2 4.39Å; F194-Y198 HydrophobicContact CE1-CG 4.44Å; F194-Y198 HydrophobicContact CZ-CD2 4.03Å; F194-Y198 HydrophobicContact CZ-CG 4.44Å; F194-Y198 VanDerWaalsContact O-CB 3.27Å; F194-Y198 WeakPolarHBondContact O-CB 3.49Å; F194-Y198 PolarHBondContact O-N 2.94Å; F194-L208 HydrophobicContact CE2-CD1 4.32Å
195F82.8Confident82.6Confident41 Ų4158 Ų5818%0.1832%0.317CS..Hα-helixtrans-62.5-42.9178.1-73.2-46000112.6F153 Y191 C192 D193 L197 Y198 V199F153-F195 HydrophobicContact CD2-CD1 4.11Å; F153-F195 AromaticContact CD2-CE1 3.99Å; F153-F195 HydrophobicContact CD2-CE1 3.99Å; F153-F195 HydrophobicContact CE2-CE1 4.39Å; Y191-F195 VanDerWaalsContact O-CD2 3.24Å; Y191-F195 WeakPolarHBondContact O-CD2 3.37Å; Y191-F195 WeakPolarHBondContact O-CG 3.33Å; Y191-F195 PolarHBondContact O-N 2.66Å; C192-F195 PolarHBondContact O-N 3.35Å; D193-F195 PolarHBondContact O-N 2.96Å; F195-L197 VanDerWaalsContact C-N 3.34Å; F195-L197 PolarHBondContact O-N 3.06Å; F195-Y198 PolarHBondContact O-N 3.32Å; F195-V199 WeakPolarHBondContact O-CG2 3.12Å; F195-V199 PolarHBondContact O-N 3.46Å
196Y82.1Confident81.5Confident154 Ų15462 Ų6260%0.60433%0.329SS*.Hα-helixtrans-57.6-48.9176.5174.6-99.8000110.9C192 D193 F194 T200C192-Y196 PolarHBondContact O-N 2.68Å; D193-Y196 PolarHBondContact O-N 3.22Å; F194-Y196 PolarHBondContact O-N 3.02Å; Y196-T200 HydrophobicContact CD2-CG2 4.22Å; Y196-T200 HydrophobicContact CE1-CG2 4.49Å; Y196-T200 HydrophobicContact CE2-CG2 3.89Å; Y196-T200 WeakPolarHBondContact O-CB 3.34Å; Y196-T200 VanDerWaalsContact O-CG2 3.29Å; Y196-T200 WeakPolarHBondContact O-CG2 3.31Å; Y196-T200 PolarHBondContact O-N 3.3Å; Y196-T200 PolarHBondContact O-OG1 3.13Å
197L74.4Confident80.1Confident12 Ų1265.6 Ų65.66%0.06334%0.34CS..Hα-helixtrans-66.8-38.3178.6-67169.4000112.6D193 F194 F195 T200 K201 L208 L210D193-L197 WeakPolarHBondContact O-CG 3.39Å; D193-L197 PolarHBondContact O-N 3.48Å; F194-L197 PolarHBondContact O-N 3.39Å; F195-L197 VanDerWaalsContact C-N 3.34Å; F195-L197 PolarHBondContact O-N 3.06Å; L197-T200 PolarHBondContact O-OG1 3.44Å; L197-K201 HydrophobicContact CD2-CD 4.49Å; L197-K201 VanDerWaalsContact O-CB 3.29Å; L197-K201 WeakPolarHBondContact O-CB 3.25Å; L197-K201 PolarHBondContact O-N 2.94Å; L197-L208 HydrophobicContact CB-CD1 3.7Å; L197-L208 HydrophobicContact CB-CG 4.4Å; L197-L210 HydrophobicContact CD1-CD2 3.27Å; L197-L210 HydrophobicContact CD1-CG 4.3Å
198Y77.1Confident78.7Confident10 Ų1065.8 Ų65.84%0.03934%0.341CS..Hα-helixtrans-61.1-49.3177.1-178.3-96.9000111.9H150 F153 F194 F195 V202 L203H150-Y198 PolarHBondContact CE1-OH 3.34Å; H150-Y198 AromaticContact ND1-CZ 3.88Å; H150-Y198 PolarHBondContact ND1-OH 3.46Å; F153-Y198 HydrophobicContact CB-CD1 4.43Å; F153-Y198 HydrophobicContact CB-CD2 4.47Å; F153-Y198 HydrophobicContact CB-CE1 4.06Å; F153-Y198 HydrophobicContact CB-CE2 4.1Å; F153-Y198 HydrophobicContact CD1-CE1 4.46Å; F153-Y198 AromaticContact CD2-CD1 3.63Å; F153-Y198 HydrophobicContact CD2-CD1 3.63Å; F153-Y198 AromaticContact CD2-CE1 3.48Å; F153-Y198 HydrophobicContact CD2-CE1 3.48Å; F153-Y198 VanDerWaalsContact CD2-CE1 3.48Å; F153-Y198 HydrophobicContact CD2-CG 4.42Å; F153-Y198 HydrophobicContact CE2-CD1 4.25Å; F153-Y198 HydrophobicContact CE2-CE1 4.03Å; F153-Y198 HydrophobicContact CG-CD1 4.23Å; F153-Y198 AromaticContact CG-CE1 3.73Å; F153-Y198 HydrophobicContact CG-CE1 3.73Å; F153-Y198 AromaticContact CG-CZ 3.95Å; F194-Y198 HydrophobicContact CE1-CD2 4.39Å; F194-Y198 HydrophobicContact CE1-CG 4.44Å; F194-Y198 HydrophobicContact CZ-CD2 4.03Å; F194-Y198 HydrophobicContact CZ-CG 4.44Å; F194-Y198 VanDerWaalsContact O-CB 3.27Å; F194-Y198 WeakPolarHBondContact O-CB 3.49Å; F194-Y198 PolarHBondContact O-N 2.94Å; F195-Y198 PolarHBondContact O-N 3.32Å; Y198-V202 HydrophobicContact CD2-CB 3.81Å; Y198-V202 HydrophobicContact CD2-CG1 4.01Å; Y198-V202 HydrophobicContact CD2-CG2 3.96Å; Y198-V202 HydrophobicContact CE2-CB 4.06Å; Y198-V202 HydrophobicContact CE2-CG1 3.76Å; Y198-V202 HydrophobicContact CG-CB 4.38Å; Y198-V202 WeakPolarHBondContact O-CA 3.36Å; Y198-V202 WeakPolarHBondContact O-CB 3.23Å; Y198-V202 PolarHBondContact O-N 3.2Å; Y198-L203 HydrophobicContact CD1-CG 4.28Å; Y198-L203 HydrophobicContact CE1-CD1 4.39Å; Y198-L203 HydrophobicContact CE1-CD2 3.85Å; Y198-L203 HydrophobicContact CE1-CG 3.96Å; Y198-L203 PolarHBondContact O-N 3.05Å; Y198-L203 VanDerWaalsContact O-N 3.1Å
199V80.8Confident77.4Confident75 Ų7567.3 Ų67.346%0.45535%0.352SS..Hα-helixtrans-68.6-41.7-178.7172.40000111.5F195 L203F195-V199 WeakPolarHBondContact O-CG2 3.12Å; F195-V199 PolarHBondContact O-N 3.46Å; V199-L203 HydrophobicContact CB-CD1 4.45Å; V199-L203 HydrophobicContact CG1-CD1 4.44Å; V199-L203 HydrophobicContact CG2-CD1 4.24Å
200T78.1Confident75.8Confident44 Ų4464.5 Ų64.527%0.2734%0.338SS..Hα-helixtrans-78.5-30.8-17556.20000113.4Y196 L197 K204Y196-T200 HydrophobicContact CD2-CG2 4.22Å; Y196-T200 HydrophobicContact CE1-CG2 4.49Å; Y196-T200 HydrophobicContact CE2-CG2 3.89Å; Y196-T200 WeakPolarHBondContact O-CB 3.34Å; Y196-T200 VanDerWaalsContact O-CG2 3.29Å; Y196-T200 WeakPolarHBondContact O-CG2 3.31Å; Y196-T200 PolarHBondContact O-N 3.3Å; Y196-T200 PolarHBondContact O-OG1 3.13Å; L197-T200 PolarHBondContact O-OG1 3.44Å; T200-K204 WeakPolarHBondContact O-CD 3.37Å
201K75.5Confident74.1Confident50 Ų5067 Ų6722%0.21736%0.358CS..THydrogen-bonded Turntrans-108.6-60.5-176.9-58.2-169.7175.5-172.90112.7L197 K204 G205 K206 S209L197-K201 HydrophobicContact CD2-CD 4.49Å; L197-K201 VanDerWaalsContact O-CB 3.29Å; L197-K201 WeakPolarHBondContact O-CB 3.25Å; L197-K201 PolarHBondContact O-N 2.94Å; K201-K204 CarbonylContact O-C 3.58Å; K201-K204 PolarHBondContact O-N 2.84Å; K201-K204 VanDerWaalsContact O-N 3.14Å; K201-G205 PolarHBondContact O-N 3.29Å; K201-K206 CarbonylContact C-O 3.33Å; K201-K206 HydrophobicContact CB-CB 4.22Å; K201-K206 WeakPolarHBondContact O-CA 3.4Å; K201-K206 WeakPolarHBondContact O-CB 3.43Å; K201-K206 PolarHBondContact O-N 3.17Å; K201-S209 PolarHBondContact NZ-O 2.7Å; K201-S209 PolarHBondContact NZ-OG 3.1Å
202V78.1Confident72.2Confident18 Ų1875.3 Ų75.311%0.10943%0.427CS..G310 helixtrans-66.7-46.3-168.7-178.10000112.1T146 T149 Y198 K204 G205 K206 L208T146-V202 HydrophobicContact CG2-CG1 4.15Å; T149-V202 HydrophobicContact CG2-CG2 4.11Å; Y198-V202 HydrophobicContact CD2-CB 3.81Å; Y198-V202 HydrophobicContact CD2-CG1 4.01Å; Y198-V202 HydrophobicContact CD2-CG2 3.96Å; Y198-V202 HydrophobicContact CE2-CB 4.06Å; Y198-V202 HydrophobicContact CE2-CG1 3.76Å; Y198-V202 HydrophobicContact CG-CB 4.38Å; Y198-V202 WeakPolarHBondContact O-CA 3.36Å; Y198-V202 WeakPolarHBondContact O-CB 3.23Å; Y198-V202 PolarHBondContact O-N 3.2Å; V202-K204 PolarHBondContact O-N 3.23Å; V202-K204 VanDerWaalsContact O-N 3.15Å; V202-G205 PolarHBondContact O-N 3.01Å; V202-K206 WeakPolarHBondContact CA-O 3.21Å; V202-L208 HydrophobicContact CG2-CB 3.98Å; V202-L208 HydrophobicContact CG2-CD1 3.89Å
203L75.1Confident71.5Confident112 Ų11275.9 Ų75.959%0.58643%0.426SS*.G310 helixtrans-63.4-21.1177.6-68.6-176.1000113.3Y198 V199 G205Y198-L203 HydrophobicContact CD1-CG 4.28Å; Y198-L203 HydrophobicContact CE1-CD1 4.39Å; Y198-L203 HydrophobicContact CE1-CD2 3.85Å; Y198-L203 HydrophobicContact CE1-CG 3.96Å; Y198-L203 PolarHBondContact O-N 3.05Å; Y198-L203 VanDerWaalsContact O-N 3.1Å; V199-L203 HydrophobicContact CB-CD1 4.45Å; V199-L203 HydrophobicContact CG1-CD1 4.44Å; V199-L203 HydrophobicContact CG2-CD1 4.24Å; L203-G205 VanDerWaalsContact C-N 3.32Å
204K78.8Confident71.1Confident152 Ų15274.5 Ų74.566%0.66142%0.42SS*.G310 helixtrans-92.511.5175.4-58.8-170.5-175.6177.60112.9T200 K201 V202 K206T200-K204 WeakPolarHBondContact O-CD 3.37Å; K201-K204 CarbonylContact O-C 3.58Å; K201-K204 PolarHBondContact O-N 2.84Å; K201-K204 VanDerWaalsContact O-N 3.14Å; V202-K204 PolarHBondContact O-N 3.23Å; V202-K204 VanDerWaalsContact O-N 3.15Å; K204-K206 PolarHBondContact O-N 3.15Å
205G72.7Confident70.6Confident75 Ų7578.1 Ų78.177%0.77344%0.441SS*.THydrogen-bonded Turntrans7211.4-178.600000114.6K201 V202 L203K201-G205 PolarHBondContact O-N 3.29Å; V202-G205 PolarHBondContact O-N 3.01Å; L203-G205 VanDerWaalsContact C-N 3.32Å
206K69.9Low69.9Low142 Ų14280.3 Ų80.362%0.61746%0.456SS*.  trans-90.6143.2175.9-59.9-175.2178.6-174.20109.8K201 V202 K204K201-K206 CarbonylContact C-O 3.33Å; K201-K206 HydrophobicContact CB-CB 4.22Å; K201-K206 WeakPolarHBondContact O-CA 3.4Å; K201-K206 WeakPolarHBondContact O-CB 3.43Å; K201-K206 PolarHBondContact O-N 3.17Å; V202-K206 WeakPolarHBondContact CA-O 3.21Å; K204-K206 PolarHBondContact O-N 3.15Å
207K64.1Low69.2Low136 Ų13675.7 Ų75.759%0.59145%0.447SS*.  trans-60.9144.2173.5-71.4-172.4169.4-164.10111E143 S209E143-K207 IonicContact OE1-NZ 2.67Å; E143-K207 PolarHBondContact OE1-NZ 3.12Å; E143-K207 IonicContact OE2-NZ 3.14Å; E143-K207 PolarHBondContact OE2-NZ 2.63Å; K207-S209 PolarHBondContact O-N 3.31Å; K207-S209 VanDerWaalsContact O-N 3.09Å
208L63.6Low68.8Low5 Ų579.9 Ų79.93%0.02647%0.472CS..EExtended strand (participates in β ladder)trans-77.293.6172-168.6124.2000108.6I138 E143 A144 T149 F194 L197 V202I138-L208 HydrophobicContact CG2-CD2 4.03Å; E143-L208 WeakPolarHBondContact CA-O 3.38Å; A144-L208 HydrophobicContact CB-CD2 3.85Å; A144-L208 PolarHBondContact N-O 3.09Å; T149-L208 HydrophobicContact CG2-CB 4.34Å; T149-L208 HydrophobicContact CG2-CD1 4.33Å; F194-L208 HydrophobicContact CE2-CD1 4.32Å; L197-L208 HydrophobicContact CB-CD1 3.7Å; L197-L208 HydrophobicContact CB-CG 4.4Å; V202-L208 HydrophobicContact CG2-CB 3.98Å; V202-L208 HydrophobicContact CG2-CD1 3.89Å
209S61.9Low68.2Low52 Ų5284.9 Ų84.936%0.36450%0.503SS..EExtended strand (participates in β ladder)trans-101135.7164.459.10000109.8G142 K201 K207G142-S209 WeakPolarHBondContact O-CA 3.26Å; K201-S209 PolarHBondContact NZ-O 2.7Å; K201-S209 PolarHBondContact NZ-OG 3.1Å; K207-S209 PolarHBondContact O-N 3.31Å; K207-S209 VanDerWaalsContact O-N 3.09Å
210L57.9Low67.2Low49 Ų4985.7 Ų85.726%0.25751%0.507SS..PPolyproline II helixtrans-79.6140.3169.9-77.5159.1000108.9I138 L197 A212I138-L210 HydrophobicContact CG2-CD1 4.04Å; L197-L210 HydrophobicContact CD1-CD2 3.27Å; L197-L210 HydrophobicContact CD1-CG 4.3Å; L210-A212 PolarHBondContact O-N 2.91Å
211P51.8Low66.3Low104 Ų10489.2 Ų89.268%0.67553%0.527SS*.PPolyproline II helixtrans-59.9131.9171.725.6-29.9000108.7
212A46.6Very low65.5Low175 Ų17592.7 Ų92.7100%1.44656%0.555SS**  trans-640-179.800000112.3L210L210-A212 PolarHBondContact O-N 2.91Å

Retrieved 212 of 212 residues in 877.7 ms (Link to these results)

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