A0A3Q0KQ74_SCHMA Loading...

ER lumen protein-retaining receptor

AlphaFold DB , UniProt , Accession A0A3Q0KQ74, Species SCHMA (Schistosoma mansoni, Blood fluke), 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
1M78.1Confident90.7Very high136 Ų13658.5 Ų58.567%0.6730%0.297SS*.  0120.70-166.415373.100107.1R5 L6 Y59M1-R5 HydrophobicContact CG-CB 4.46Å; M1-R5 HydrophobicContact CG-CG 4.23Å; M1-L6 HydrophobicContact CE-CD1 4.19Å; M1-Y59 HydrophobicContact CE-CD1 3.17Å; M1-Y59 HydrophobicContact CE-CD2 4.45Å; M1-Y59 HydrophobicContact CE-CE1 3.35Å; M1-Y59 HydrophobicContact CE-CG 3.78Å; M1-Y59 HydrophobicContact SD-CD1 3.68Å; M1-Y59 HydrophobicContact SD-CE1 3.65Å
2N85.8Confident91.1Very high22 Ų2253.9 Ų53.912%0.11827%0.274CS..  trans-89.3168.3-177.763.826.6000111.5F4 R5 L6 N165 Y168N2-F4 VanDerWaalsContact C-N 3.32Å; N2-F4 PolarHBondContact O-N 3.17Å; N2-R5 PolarHBondContact O-N 2.95Å; N2-R5 WeakPolarHBondContact OD1-CB 3.37Å; N2-R5 PolarHBondContact OD1-N 3.39Å; N2-L6 PolarHBondContact O-N 2.82Å; N2-N165 PolarHBondContact ND2-OD1 2.62Å; N2-N165 PolarHBondContact OD1-OD1 3.17Å; N2-Y168 HydrophobicContact CB-CD1 4.36Å; N2-Y168 HydrophobicContact CB-CE1 4.08Å; N2-Y168 WeakPolarHBondContact ND2-CD1 3.42Å
3V89.6Confident91.6Very high87 Ų8752.2 Ų52.253%0.52727%0.265SS..Hα-helixtrans-63-37.7-176.1700000112.4L6 L7V3-L6 PolarHBondContact O-N 3.44Å; V3-L7 HydrophobicContact CG2-CD1 4.13Å; V3-L7 HydrophobicContact CG2-CG 4.38Å; V3-L7 VanDerWaalsContact O-CG 3.32Å; V3-L7 WeakPolarHBondContact O-CG 3.16Å; V3-L7 PolarHBondContact O-N 3.38Å
4F89.8Confident91.9Very high60 Ų6051.4 Ų51.426%0.26327%0.27SS..Hα-helixtrans-65.8-41.4-179.2-61.6-67.5000112.2N2 L7 G8 V164 N165 Y168N2-F4 VanDerWaalsContact C-N 3.32Å; N2-F4 PolarHBondContact O-N 3.17Å; F4-L7 PolarHBondContact O-N 3.11Å; F4-G8 PolarHBondContact O-N 2.93Å; F4-V164 HydrophobicContact CD1-CB 4.34Å; F4-V164 HydrophobicContact CD1-CG1 3.62Å; F4-V164 HydrophobicContact CD2-CG1 4.34Å; F4-V164 HydrophobicContact CE1-CG1 3.55Å; F4-V164 HydrophobicContact CE2-CG1 4.28Å; F4-V164 HydrophobicContact CG-CG1 4.03Å; F4-V164 HydrophobicContact CZ-CG1 3.9Å; F4-N165 HydrophobicContact CB-CB 3.63Å; F4-Y168 HydrophobicContact CD2-CD2 4.29Å; F4-Y168 HydrophobicContact CD2-CG 4.09Å; F4-Y168 AromaticContact CE2-CD2 3.81Å; F4-Y168 HydrophobicContact CE2-CD2 3.81Å; F4-Y168 HydrophobicContact CE2-CE2 4.47Å; F4-Y168 HydrophobicContact CE2-CG 4.07Å
5R89Confident92.2Very high83 Ų8347.9 Ų47.931%0.31325%0.252SS..Hα-helixtrans-62.1-45.5173.6179.3168.4174.2160.60.1111.5M1 N2 L7 G8 D9M1-R5 HydrophobicContact CG-CB 4.46Å; M1-R5 HydrophobicContact CG-CG 4.23Å; N2-R5 PolarHBondContact O-N 2.95Å; N2-R5 WeakPolarHBondContact OD1-CB 3.37Å; N2-R5 PolarHBondContact OD1-N 3.39Å; R5-L7 PolarHBondContact O-N 2.95Å; R5-G8 PolarHBondContact O-N 2.63Å; R5-D9 WeakPolarHBondContact O-CB 3.49Å; R5-D9 PolarHBondContact O-N 3.28Å
6L92.2Very high92.5Very high63 Ų6345.2 Ų45.233%0.3324%0.238SC..Hα-helixtrans-60.2-46.7177.9-175.972.8000111.5M1 N2 V3 G8 D9 L10 Y59M1-L6 HydrophobicContact CE-CD1 4.19Å; N2-L6 PolarHBondContact O-N 2.82Å; V3-L6 PolarHBondContact O-N 3.44Å; L6-G8 VanDerWaalsContact C-N 3.34Å; L6-G8 PolarHBondContact O-N 3.12Å; L6-D9 PolarHBondContact O-N 2.96Å; L6-L10 HydrophobicContact CG-CD1 4.21Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.41Å; L6-L10 PolarHBondContact O-N 3.46Å; L6-Y59 HydrophobicContact CD1-CE1 4.27Å; L6-Y59 HydrophobicContact CD1-CE2 3.85Å; L6-Y59 WeakPolarHBondContact CD1-OH 3.28Å
7L93.6Very high92.7Very high79 Ų7947.1 Ų47.141%0.41425%0.247SC..Hα-helixtrans-64.6-38.7177.5-69174.4000111.9V3 F4 R5 L10 S11 L161V3-L7 HydrophobicContact CG2-CD1 4.13Å; V3-L7 HydrophobicContact CG2-CG 4.38Å; V3-L7 VanDerWaalsContact O-CG 3.32Å; V3-L7 WeakPolarHBondContact O-CG 3.16Å; V3-L7 PolarHBondContact O-N 3.38Å; F4-L7 PolarHBondContact O-N 3.11Å; R5-L7 PolarHBondContact O-N 2.95Å; L7-L10 PolarHBondContact O-N 3.43Å; L7-S11 VanDerWaalsContact O-CB 3.3Å; L7-S11 WeakPolarHBondContact O-CB 3.32Å; L7-S11 PolarHBondContact O-N 3.09Å; L7-L161 HydrophobicContact CB-CD1 3.95Å; L7-L161 HydrophobicContact CB-CD2 4.25Å
8G94.5Very high92.9Very high0 Ų047.2 Ų47.20%025%0.247CC..Hα-helixtrans-60.1-49.8172.900000111.4F4 R5 L6 L10 S11 H12 Y158F4-G8 PolarHBondContact O-N 2.93Å; R5-G8 PolarHBondContact O-N 2.63Å; L6-G8 VanDerWaalsContact C-N 3.34Å; L6-G8 PolarHBondContact O-N 3.12Å; G8-L10 VanDerWaalsContact C-N 3.32Å; G8-L10 PolarHBondContact O-N 3.09Å; G8-S11 PolarHBondContact O-N 2.97Å; G8-H12 WeakPolarHBondContact O-CB 3.32Å; G8-H12 PolarHBondContact O-N 2.82Å; G8-Y158 VanDerWaalsContact O-CB 3.31Å; G8-Y158 WeakPolarHBondContact O-CB 3.3Å
9D94.7Very high93.1Very high8 Ų844.7 Ų44.74%0.04323%0.234CC..Hα-helixtrans-58.7-43.7178.5-74.7-20.4000112.2R5 L6 H12 L13 Y59 M63 Y162R5-D9 WeakPolarHBondContact O-CB 3.49Å; R5-D9 PolarHBondContact O-N 3.28Å; L6-D9 PolarHBondContact O-N 2.96Å; D9-H12 PolarHBondContact O-N 3.38Å; D9-L13 WeakPolarHBondContact O-CB 3.46Å; D9-L13 PolarHBondContact O-N 2.99Å; D9-Y59 WeakPolarHBondContact CB-OH 3.26Å; D9-M63 HydrophobicContact CB-CE 4.04Å; D9-Y162 PolarHBondContact OD1-OH 3.27Å
10L95Very high93.2Very high84 Ų8443.5 Ų43.544%0.4423%0.228SC..Hα-helixtrans-67.9-40177.4-68.1174.6000112.7L6 L7 G8 H12 L13 A14L6-L10 HydrophobicContact CG-CD1 4.21Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.41Å; L6-L10 PolarHBondContact O-N 3.46Å; L7-L10 PolarHBondContact O-N 3.43Å; G8-L10 VanDerWaalsContact C-N 3.32Å; G8-L10 PolarHBondContact O-N 3.09Å; L10-H12 VanDerWaalsContact C-N 3.33Å; L10-L13 PolarHBondContact O-N 3.26Å; L10-A14 WeakPolarHBondContact O-CB 3.41Å; L10-A14 PolarHBondContact O-N 3.2Å
11S95.3Very high93.3Very high21 Ų2146.4 Ų46.415%0.14724%0.243CC..Hα-helixtrans-65.4-37.9176-175.90000111.6L7 G8 A14 A15 A154 Y158L7-S11 VanDerWaalsContact O-CB 3.3Å; L7-S11 WeakPolarHBondContact O-CB 3.32Å; L7-S11 PolarHBondContact O-N 3.09Å; G8-S11 PolarHBondContact O-N 2.97Å; S11-A14 PolarHBondContact O-N 3.24Å; S11-A15 PolarHBondContact O-N 2.93Å; S11-A154 PolarHBondContact OG-O 3.5Å; S11-Y158 PolarHBondContact OG-N 3.07Å
12H96.1Very high94.1Very high4 Ų440.1 Ų40.12%0.01921%0.212CC..Hα-helixtrans-67.3-43.8175.8-162.3171.5000111.2G8 D9 L10 A14 A15 L16 F44 F67 E127 Y158G8-H12 WeakPolarHBondContact O-CB 3.32Å; G8-H12 PolarHBondContact O-N 2.82Å; D9-H12 PolarHBondContact O-N 3.38Å; L10-H12 VanDerWaalsContact C-N 3.33Å; H12-A14 VanDerWaalsContact C-N 3.31Å; H12-A14 PolarHBondContact O-N 3.02Å; H12-A15 WeakPolarHBondContact O-CB 3.35Å; H12-A15 PolarHBondContact O-N 3.03Å; H12-L16 PolarHBondContact O-N 2.81Å; H12-L16 VanDerWaalsContact O-N 3.13Å; H12-F44 AromaticContact CE1-CE1 3.55Å; H12-F44 AromaticContact CE1-CZ 3.24Å; H12-F44 WeakPolarHBondContact CE1-CZ 3.42Å; H12-F44 AromaticContact NE2-CZ 3.49Å; H12-F44 WeakPolarHBondContact NE2-CZ 3.31Å; H12-F67 HydrophobicContact CB-CE1 3.93Å; H12-F67 HydrophobicContact CB-CZ 4.06Å; H12-F67 AromaticContact CG-CE1 3.83Å; H12-E127 IonicContact CE1-OE1 2.64Å; H12-Y158 HydrophobicContact CB-CD1 4.15Å; H12-Y158 HydrophobicContact CB-CD2 3.71Å; H12-Y158 HydrophobicContact CB-CE2 4.07Å; H12-Y158 HydrophobicContact CB-CG 3.73Å; H12-Y158 AromaticContact CD2-CE1 3.89Å; H12-Y158 AromaticContact CD2-CZ 3.91Å; H12-Y158 AromaticContact CE1-CE2 3.51Å; H12-Y158 AromaticContact CE1-CZ 3.34Å; H12-Y158 PolarHBondContact CE1-OH 2.93Å; H12-Y158 VanDerWaalsContact CE1-OH 3.25Å; H12-Y158 AromaticContact CG-CD2 3.83Å; H12-Y158 AromaticContact CG-CE2 3.64Å; H12-Y158 AromaticContact CG-CZ 3.83Å; H12-Y158 AromaticContact ND1-CD2 3.76Å; H12-Y158 AromaticContact ND1-CE2 3.19Å; H12-Y158 WeakPolarHBondContact ND1-CE2 3.36Å; H12-Y158 AromaticContact ND1-CZ 3.51Å; H12-Y158 AromaticContact NE2-CE1 3.9Å; H12-Y158 AromaticContact NE2-CZ 3.62Å
13L96.8Very high94.5Very high32 Ų3239.1 Ų39.117%0.16821%0.206CC..Hα-helixtrans-60.3-42.7174.818060.3000111.4D9 L10 A15 L16 I17 M63 T66 F67 L70D9-L13 WeakPolarHBondContact O-CB 3.46Å; D9-L13 PolarHBondContact O-N 2.99Å; L10-L13 PolarHBondContact O-N 3.26Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 3Å; L13-L16 PolarHBondContact O-N 3.27Å; L13-I17 HydrophobicContact CD1-CD1 4.15Å; L13-I17 HydrophobicContact CD1-CG1 4.39Å; L13-I17 HydrophobicContact CG-CD1 3.92Å; L13-I17 WeakPolarHBondContact O-CG1 3.38Å; L13-I17 PolarHBondContact O-N 3.14Å; L13-M63 HydrophobicContact CB-CE 4.2Å; L13-M63 HydrophobicContact CD2-CE 4.21Å; L13-M63 HydrophobicContact CD2-SD 4.31Å; L13-T66 HydrophobicContact CD1-CG2 3.72Å; L13-F67 HydrophobicContact CB-CE1 4.34Å; L13-L70 HydrophobicContact CD1-CD1 3.66Å
14A96.3Very high94.7Very high40 Ų4042.7 Ų42.733%0.33121%0.21SC..Hα-helixtrans-59.2-42.4174.800000111.7L10 S11 H12 L16 I17 I18L10-A14 WeakPolarHBondContact O-CB 3.41Å; L10-A14 PolarHBondContact O-N 3.2Å; S11-A14 PolarHBondContact O-N 3.24Å; H12-A14 VanDerWaalsContact C-N 3.31Å; H12-A14 PolarHBondContact O-N 3.02Å; A14-L16 PolarHBondContact O-N 3.43Å; A14-I17 PolarHBondContact O-N 3.21Å; A14-I18 WeakPolarHBondContact O-CB 3.5Å; A14-I18 WeakPolarHBondContact O-CD1 3.47Å; A14-I18 WeakPolarHBondContact O-CG1 3.21Å; A14-I18 PolarHBondContact O-N 2.97Å
15A96.7Very high94.9Very high0 Ų044.8 Ų44.80%023%0.233CC..Hα-helixtrans-58.3-46175.900000112S11 H12 L13 I18 L19 Y151 A154 L155S11-A15 PolarHBondContact O-N 2.93Å; H12-A15 WeakPolarHBondContact O-CB 3.35Å; H12-A15 PolarHBondContact O-N 3.03Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 3Å; A15-I18 PolarHBondContact O-N 3.17Å; A15-L19 WeakPolarHBondContact O-CB 3.28Å; A15-L19 PolarHBondContact O-N 3.24Å; A15-Y151 HydrophobicContact CB-CD2 4.11Å; A15-Y151 HydrophobicContact CB-CE2 4.45Å; A15-Y151 WeakPolarHBondContact O-CD2 3.4Å; A15-A154 HydrophobicContact CB-CB 3.79Å; A15-L155 HydrophobicContact CB-CB 4.1Å; A15-L155 HydrophobicContact CB-CD1 4.09Å
16L96.8Very high95.1Very high4 Ų443.4 Ų43.42%0.02124%0.236CC..Hα-helixtrans-64.3-40.9177.3-69.1175.3000112.4H12 L13 A14 L19 L20 F44 F67 L70H12-L16 PolarHBondContact O-N 2.81Å; H12-L16 VanDerWaalsContact O-N 3.13Å; L13-L16 PolarHBondContact O-N 3.27Å; A14-L16 PolarHBondContact O-N 3.43Å; L16-L19 PolarHBondContact O-N 3.32Å; L16-L20 WeakPolarHBondContact O-CB 3.33Å; L16-L20 WeakPolarHBondContact O-CG 3.49Å; L16-L20 PolarHBondContact O-N 3.35Å; L16-F44 HydrophobicContact CD1-CE2 4.46Å; L16-F67 HydrophobicContact CD1-CD1 3.57Å; L16-F67 HydrophobicContact CD1-CE1 4.12Å; L16-L70 HydrophobicContact CB-CB 4.46Å; L16-L70 HydrophobicContact CB-CD1 4.22Å; L16-L70 HydrophobicContact CD1-CB 4.16Å; L16-L70 HydrophobicContact CD1-CD1 4.45Å
17I96.2Very high95.1Very high78 Ų7847.1 Ų47.140%0.425%0.246SC..Hα-helixtrans-64.9-46.9177.1-68.6169.7000110.5L13 A14 L19 L20 L21L13-I17 HydrophobicContact CD1-CD1 4.15Å; L13-I17 HydrophobicContact CD1-CG1 4.39Å; L13-I17 HydrophobicContact CG-CD1 3.92Å; L13-I17 WeakPolarHBondContact O-CG1 3.38Å; L13-I17 PolarHBondContact O-N 3.14Å; A14-I17 PolarHBondContact O-N 3.21Å; I17-L19 VanDerWaalsContact C-N 3.29Å; I17-L19 PolarHBondContact O-N 2.85Å; I17-L20 PolarHBondContact O-N 3.24Å; I17-L21 HydrophobicContact CG2-CD1 3.81Å; I17-L21 HydrophobicContact CG2-CG 4.18Å; I17-L21 WeakPolarHBondContact O-CB 3.41Å; I17-L21 VanDerWaalsContact O-CG 3.28Å; I17-L21 WeakPolarHBondContact O-CG 3.35Å; I17-L21 PolarHBondContact O-N 3.38Å
18I95.7Very high95.1Very high48 Ų4844.7 Ų44.725%0.24624%0.235CC..Hα-helixtrans-58-45177.8-68.9164.1000110.2A14 A15 L21 K22 I147 A154A14-I18 WeakPolarHBondContact O-CB 3.5Å; A14-I18 WeakPolarHBondContact O-CD1 3.47Å; A14-I18 WeakPolarHBondContact O-CG1 3.21Å; A14-I18 PolarHBondContact O-N 2.97Å; A15-I18 PolarHBondContact O-N 3.17Å; I18-L21 PolarHBondContact O-N 3Å; I18-K22 WeakPolarHBondContact O-CB 3.24Å; I18-K22 PolarHBondContact O-N 2.86Å; I18-I147 HydrophobicContact CG2-CG2 4.11Å; I18-A154 HydrophobicContact CD1-CB 4.25Å
19L96.3Very high94.9Very high1 Ų144.7 Ų44.71%0.00524%0.235CC..Hα-helixtrans-61.6-45.8178.4-178.462.1000112.1A15 L16 I17 K22 I23 L32 Q37 T74 Y151A15-L19 WeakPolarHBondContact O-CB 3.28Å; A15-L19 PolarHBondContact O-N 3.24Å; L16-L19 PolarHBondContact O-N 3.32Å; I17-L19 VanDerWaalsContact C-N 3.29Å; I17-L19 PolarHBondContact O-N 2.85Å; L19-K22 WeakPolarHBondContact O-CB 3.36Å; L19-K22 PolarHBondContact O-N 2.7Å; L19-I23 HydrophobicContact CD1-CD1 4.33Å; L19-I23 HydrophobicContact CG-CD1 4.21Å; L19-I23 WeakPolarHBondContact O-CG1 2.86Å; L19-I23 PolarHBondContact O-N 2.85Å; L19-L32 HydrophobicContact CD1-CD1 3.57Å; L19-L32 HydrophobicContact CD1-CD2 3.58Å; L19-L32 HydrophobicContact CD1-CG 4.22Å; L19-Q37 VanDerWaalsContact CD2-CD 3.48Å; L19-Q37 HydrophobicContact CD2-CG 4.38Å; L19-Q37 VanDerWaalsContact CD2-OE1 3.31Å; L19-T74 HydrophobicContact CD2-CG2 3.6Å; L19-T74 HydrophobicContact CG-CG2 4.15Å; L19-Y151 HydrophobicContact CB-CD2 3.92Å; L19-Y151 HydrophobicContact CB-CE2 4.28Å; L19-Y151 HydrophobicContact CB-CG 4.27Å; L19-Y151 HydrophobicContact CD1-CD1 4.24Å; L19-Y151 HydrophobicContact CD1-CE1 4.35Å; L19-Y151 HydrophobicContact CD1-CG 4.35Å; L19-Y151 HydrophobicContact CD2-CD2 4.44Å; L19-Y151 HydrophobicContact CD2-CE2 3.99Å
20L95.9Very high94.7Very high20 Ų2050.7 Ų50.711%0.10526%0.261CS..Hα-helixtrans-65.6-40.1177.5-77.1168.6000112.3L16 I17 I23 R24 L70 L73 T74 F77L16-L20 WeakPolarHBondContact O-CB 3.33Å; L16-L20 WeakPolarHBondContact O-CG 3.49Å; L16-L20 PolarHBondContact O-N 3.35Å; I17-L20 PolarHBondContact O-N 3.24Å; L20-I23 PolarHBondContact O-N 2.87Å; L20-R24 VanDerWaalsContact O-CB 3.24Å; L20-R24 WeakPolarHBondContact O-CB 3.37Å; L20-R24 PolarHBondContact O-N 3.39Å; L20-L70 HydrophobicContact CD1-CB 4.19Å; L20-L70 HydrophobicContact CD1-CD2 3.65Å; L20-L70 HydrophobicContact CD1-CG 4.35Å; L20-L73 HydrophobicContact CD1-CD2 4.21Å; L20-L73 HydrophobicContact CD2-CD2 4.18Å; L20-L73 HydrophobicContact CD2-CG 4.07Å; L20-T74 WeakPolarHBondContact CD2-OG1 3.5Å; L20-F77 HydrophobicContact CD2-CD2 3.67Å; L20-F77 HydrophobicContact CD2-CE2 3.82Å
21L94.7Very high94.4Very high104 Ų10447.6 Ų47.655%0.54525%0.249SC..Hα-helixtrans-63.5-41.6174.6-72.3175.8000111.3I17 I18 R24 S25I17-L21 HydrophobicContact CG2-CD1 3.81Å; I17-L21 HydrophobicContact CG2-CG 4.18Å; I17-L21 WeakPolarHBondContact O-CB 3.41Å; I17-L21 VanDerWaalsContact O-CG 3.28Å; I17-L21 WeakPolarHBondContact O-CG 3.35Å; I17-L21 PolarHBondContact O-N 3.38Å; I18-L21 PolarHBondContact O-N 3Å; L21-R24 PolarHBondContact O-N 3.03Å; L21-S25 WeakPolarHBondContact O-CB 3.47Å; L21-S25 PolarHBondContact O-N 3.45Å
22K94.1Very high94.2Very high5 Ų546.6 Ų46.62%0.02224%0.242CC..Hα-helixtrans-54.6-56172.8-173.6-79.3-168-178.40110.3I18 L19 R24 S25 S26 S28 K30 L32 E145 I147I18-K22 WeakPolarHBondContact O-CB 3.24Å; I18-K22 PolarHBondContact O-N 2.86Å; L19-K22 WeakPolarHBondContact O-CB 3.36Å; L19-K22 PolarHBondContact O-N 2.7Å; K22-R24 VanDerWaalsContact C-N 3.34Å; K22-R24 PolarHBondContact O-N 3.22Å; K22-S25 PolarHBondContact O-N 2.84Å; K22-S26 VanDerWaalsContact O-CB 3.32Å; K22-S26 WeakPolarHBondContact O-CB 3.47Å; K22-S26 PolarHBondContact O-N 3.18Å; K22-S26 PolarHBondContact O-OG 3.46Å; K22-S28 PolarHBondContact NZ-O 3.09Å; K22-S28 VanDerWaalsContact NZ-O 3.14Å; K22-K30 PolarHBondContact NZ-O 2.88Å; K22-L32 HydrophobicContact CD-CD1 3.83Å; K22-L32 HydrophobicContact CD-CG 4.48Å; K22-E145 WeakPolarHBondContact CE-OE2 3.25Å; K22-E145 IonicContact NZ-OE2 2.83Å; K22-E145 PolarHBondContact NZ-OE2 3.43Å; K22-I147 HydrophobicContact CB-CG2 3.62Å; K22-I147 HydrophobicContact CG-CB 4.12Å; K22-I147 HydrophobicContact CG-CG2 3.7Å
23I95Very high94.1Very high0 Ų046.5 Ų46.50%024%0.242CC..Hα-helixtrans-62.6-42.8-177-63.9165000110.7L19 L20 R27 L32 T74 F77 I78 F82L19-I23 HydrophobicContact CD1-CD1 4.33Å; L19-I23 HydrophobicContact CG-CD1 4.21Å; L19-I23 WeakPolarHBondContact O-CG1 2.86Å; L19-I23 PolarHBondContact O-N 2.85Å; L20-I23 PolarHBondContact O-N 2.87Å; I23-R27 VanDerWaalsContact O-CA 3.25Å; I23-R27 WeakPolarHBondContact O-CA 3.41Å; I23-R27 PolarHBondContact O-N 3.02Å; I23-L32 HydrophobicContact CD1-CD1 3.95Å; I23-L32 HydrophobicContact CG1-CD1 3.58Å; I23-T74 HydrophobicContact CD1-CG2 4.06Å; I23-F77 HydrophobicContact CG2-CB 3.92Å; I23-F77 HydrophobicContact CG2-CD2 4.28Å; I23-F77 HydrophobicContact CG2-CG 4.45Å; I23-I78 HydrophobicContact CD1-CD1 4.34Å; I23-I78 HydrophobicContact CD1-CG1 4.08Å; I23-F82 HydrophobicContact CG2-CD2 3.54Å; I23-F82 HydrophobicContact CG2-CE2 3.79Å
24R93.5Very high93.9Very high162 Ų16245 Ų4561%0.61123%0.234SC*.Hα-helixtrans-67.6-44-179.3-177.1-179.8173.4105.7-0.3112.7L20 L21 K22 R27L20-R24 VanDerWaalsContact O-CB 3.24Å; L20-R24 WeakPolarHBondContact O-CB 3.37Å; L20-R24 PolarHBondContact O-N 3.39Å; L21-R24 PolarHBondContact O-N 3.03Å; K22-R24 VanDerWaalsContact C-N 3.34Å; K22-R24 PolarHBondContact O-N 3.22Å; R24-R27 VanDerWaalsContact O-CD 3.32Å; R24-R27 WeakPolarHBondContact O-CD 3.31Å; R24-R27 PolarHBondContact O-NE 3.49Å
25S93.4Very high93.9Very high105 Ų10545.4 Ų45.473%0.73423%0.228SC*.Hα-helixtrans-74-45-176.2-169.30000111.7L21 K22 R27L21-S25 WeakPolarHBondContact O-CB 3.47Å; L21-S25 PolarHBondContact O-N 3.45Å; K22-S25 PolarHBondContact O-N 2.84Å; S25-R27 VanDerWaalsContact C-N 3.32Å
26S93.2Very high93.8Very high54 Ų5445.4 Ų45.438%0.37823%0.228SC..Hα-helixtrans-78.5-17.217964.70000113.4K22 S28K22-S26 VanDerWaalsContact O-CB 3.32Å; K22-S26 WeakPolarHBondContact O-CB 3.47Å; K22-S26 PolarHBondContact O-N 3.18Å; K22-S26 PolarHBondContact O-OG 3.46Å; S26-S28 PolarHBondContact O-N 2.87Å; S26-S28 VanDerWaalsContact O-N 3.09Å; S26-S28 PolarHBondContact OG-N 2.73Å; S26-S28 PolarHBondContact OG-O 2.62Å; S26-S28 VanDerWaalsContact OG-O 3.12Å
27R93.9Very high93.8Very high141 Ų14145.4 Ų45.453%0.53223%0.228SC..  trans52.427.3-170.6-58.8-68.1-175.3142.24.1112.4I23 R24 S25 F82I23-R27 VanDerWaalsContact O-CA 3.25Å; I23-R27 WeakPolarHBondContact O-CA 3.41Å; I23-R27 PolarHBondContact O-N 3.02Å; R24-R27 VanDerWaalsContact O-CD 3.32Å; R24-R27 WeakPolarHBondContact O-CD 3.31Å; R24-R27 PolarHBondContact O-NE 3.49Å; S25-R27 VanDerWaalsContact C-N 3.32Å; R27-F82 HydrophobicContact CB-CD1 4.5Å; R27-F82 HydrophobicContact CB-CE1 3.93Å; R27-F82 HydrophobicContact CG-CE1 4.42Å; R27-F82 WeakPolarHBondContact O-CD1 3.37Å
28S92.6Very high93.8Very high28 Ų2844.3 Ų44.320%0.19622%0.223CC..  trans-143.8138.8-171.6179.80000112.4K22 S26 K30 T85K22-S28 PolarHBondContact NZ-O 3.09Å; K22-S28 VanDerWaalsContact NZ-O 3.14Å; S26-S28 PolarHBondContact O-N 2.87Å; S26-S28 VanDerWaalsContact O-N 3.09Å; S26-S28 PolarHBondContact OG-N 2.73Å; S26-S28 PolarHBondContact OG-O 2.62Å; S26-S28 VanDerWaalsContact OG-O 3.12Å; S28-K30 WeakPolarHBondContact OG-CB 3.39Å; S28-K30 PolarHBondContact OG-N 2.97Å; S28-T85 WeakPolarHBondContact CA-OG1 3.47Å
29C91.3Very high93.9Very high0 Ų042.1 Ų42.10%021%0.211CC..  trans-10111.9174.5-640000113L32 I78 T85C29-L32 PolarHBondContact O-N 3.14Å; C29-I78 HydrophobicContact CB-CG1 4.46Å; C29-T85 CarbonylContact C-O 3.43Å; C29-T85 VanDerWaalsContact C-O 3.31Å; C29-T85 PolarHBondContact N-OG1 3.4Å
30K89.2Confident94Very high134 Ų13442.2 Ų42.258%0.58321%0.212SC*.THydrogen-bonded Turntrans-58.6139174-168.6177.1-179-1770110.7K22 S28 L32 T85K22-K30 PolarHBondContact NZ-O 2.88Å; S28-K30 WeakPolarHBondContact OG-CB 3.39Å; S28-K30 PolarHBondContact OG-N 2.97Å; K30-L32 PolarHBondContact O-N 3.4Å; K30-T85 PolarHBondContact N-O 3.27Å; K30-T85 VanDerWaalsContact N-O 3.09Å
31G88.6Confident94.1Very high18 Ų1841.5 Ų41.519%0.18621%0.208CC..THydrogen-bonded Turntrans67.414.4-177.500000115D87 Q134 M137G31-D87 PolarHBondContact N-OD2 3.26Å; G31-D87 VanDerWaalsContact N-OD2 3.12Å; G31-Q134 PolarHBondContact O-NE2 3.25Å; G31-Q134 VanDerWaalsContact O-NE2 3.07Å; G31-M137 WeakPolarHBondContact O-CE 3.44Å
32L91.8Very high94.2Very high1 Ų139.1 Ų39.11%0.00520%0.196CC..  trans-118.9130.9171.4-66.8177.3000111.2L19 K22 I23 C29 K30 G34 M137 T148L19-L32 HydrophobicContact CD1-CD1 3.57Å; L19-L32 HydrophobicContact CD1-CD2 3.58Å; L19-L32 HydrophobicContact CD1-CG 4.22Å; K22-L32 HydrophobicContact CD-CD1 3.83Å; K22-L32 HydrophobicContact CD-CG 4.48Å; I23-L32 HydrophobicContact CD1-CD1 3.95Å; I23-L32 HydrophobicContact CG1-CD1 3.58Å; C29-L32 PolarHBondContact O-N 3.14Å; K30-L32 PolarHBondContact O-N 3.4Å; L32-G34 PolarHBondContact O-N 3.47Å; L32-M137 VanDerWaalsContact C-CE 3.44Å; L32-T148 HydrophobicContact CD2-CG2 3.86Å
33S93.2Very high94.4Very high2 Ų238.9 Ų38.91%0.01420%0.195CC..  trans-84.5115.2174.3-179.80000109.6K35 T36 D90 P133 M137S33-K35 PolarHBondContact O-N 3.31Å; S33-K35 PolarHBondContact OG-N 2.72Å; S33-T36 PolarHBondContact O-N 2.95Å; S33-T36 PolarHBondContact OG-N 2.9Å; S33-D90 PolarHBondContact OG-OD1 3.09Å; S33-P133 VanDerWaalsContact OG-CB 3.24Å; S33-P133 WeakPolarHBondContact OG-CB 3.43Å; S33-M137 VanDerWaalsContact N-CE 3.29Å
34G94.2Very high94.6Very high0 Ų038.9 Ų38.90%020%0.195CC..Hα-helixtrans-66.4-30.1172.300000111.8L32 T36 Q37 I38 Y79 D90L32-G34 PolarHBondContact O-N 3.47Å; G34-T36 PolarHBondContact O-N 3.23Å; G34-Q37 PolarHBondContact O-N 3.48Å; G34-Q37 VanDerWaalsContact O-N 3.12Å; G34-I38 PolarHBondContact O-N 2.99Å; G34-Y79 VanDerWaalsContact CA-OH 3.28Å; G34-Y79 WeakPolarHBondContact CA-OH 3.37Å; G34-D90 PolarHBondContact N-OD1 3.09Å
35K94.8Very high94.8Very high49 Ų4933.3 Ų33.321%0.21318%0.179CC..Hα-helixtrans-59.7-45.4176.2-56.7-51.6-174.9-179.10112.1S33 Q37 I38 M39 Y79 D90 L95 P133S33-K35 PolarHBondContact O-N 3.31Å; S33-K35 PolarHBondContact OG-N 2.72Å; K35-Q37 VanDerWaalsContact C-N 3.28Å; K35-Q37 PolarHBondContact O-N 2.98Å; K35-I38 PolarHBondContact O-N 2.96Å; K35-M39 WeakPolarHBondContact O-CG 3.36Å; K35-M39 PolarHBondContact O-N 3.25Å; K35-Y79 WeakPolarHBondContact CD-OH 3.39Å; K35-Y79 PolarHBondContact N-OH 3.29Å; K35-D90 WeakPolarHBondContact CE-O 3.41Å; K35-D90 WeakPolarHBondContact CE-OD2 3.5Å; K35-D90 PolarHBondContact N-OD1 3.36Å; K35-L95 HydrophobicContact CB-CD1 4.3Å; K35-L95 HydrophobicContact CB-CD2 3.89Å; K35-L95 HydrophobicContact CB-CG 4.02Å; K35-L95 HydrophobicContact CD-CD1 3.54Å; K35-L95 HydrophobicContact CD-CG 3.76Å; K35-L95 HydrophobicContact CG-CD1 4.44Å; K35-L95 HydrophobicContact CG-CG 4.24Å; K35-P133 HydrophobicContact CB-CB 3.9Å; K35-P133 HydrophobicContact CB-CG 4.02Å
36T95.2Very high95Very high0 Ų029 Ų290%015%0.148CC..Hα-helixtrans-57.6-41.9174.1-77.50000111.5S33 G34 M39 F40 A130 I131 P133 Q134S33-T36 PolarHBondContact O-N 2.95Å; S33-T36 PolarHBondContact OG-N 2.9Å; G34-T36 PolarHBondContact O-N 3.23Å; T36-M39 PolarHBondContact O-N 2.96Å; T36-F40 HydrophobicContact CG2-CD2 3.58Å; T36-F40 HydrophobicContact CG2-CE2 3.4Å; T36-F40 VanDerWaalsContact O-CD2 3.28Å; T36-F40 WeakPolarHBondContact O-CD2 3.31Å; T36-F40 PolarHBondContact O-N 3.43Å; T36-A130 WeakPolarHBondContact CA-O 3.34Å; T36-A130 WeakPolarHBondContact CB-O 3.24Å; T36-A130 VanDerWaalsContact CG2-O 3.26Å; T36-A130 WeakPolarHBondContact CG2-O 3.14Å; T36-A130 PolarHBondContact OG1-O 3.33Å; T36-I131 HydrophobicContact CG2-CD1 4.23Å; T36-P133 WeakPolarHBondContact OG1-CB 3.36Å; T36-P133 VanDerWaalsContact OG1-CD 3.32Å; T36-P133 WeakPolarHBondContact OG1-CD 3.39Å; T36-P133 VanDerWaalsContact OG1-CG 3.28Å; T36-P133 WeakPolarHBondContact OG1-CG 3.49Å; T36-Q134 HydrophobicContact CG2-CB 4.16Å; T36-Q134 PolarHBondContact OG1-N 3.03Å; T36-Q134 VanDerWaalsContact OG1-N 3.1Å
37Q96.6Very high95.2Very high3 Ų327.8 Ų27.81%0.01414%0.135CC..Hα-helixtrans-70.3-35-179.7-52.9-48.2-40.900112.8L19 G34 K35 M39 F40 A41 T74 V75 I78 Y151L19-Q37 VanDerWaalsContact CD2-CD 3.48Å; L19-Q37 HydrophobicContact CD2-CG 4.38Å; L19-Q37 VanDerWaalsContact CD2-OE1 3.31Å; G34-Q37 PolarHBondContact O-N 3.48Å; G34-Q37 VanDerWaalsContact O-N 3.12Å; K35-Q37 VanDerWaalsContact C-N 3.28Å; K35-Q37 PolarHBondContact O-N 2.98Å; Q37-M39 VanDerWaalsContact C-N 3.34Å; Q37-F40 PolarHBondContact O-N 2.89Å; Q37-A41 WeakPolarHBondContact O-CB 3.32Å; Q37-A41 PolarHBondContact O-N 3.28Å; Q37-T74 HydrophobicContact CB-CG2 4.2Å; Q37-T74 HydrophobicContact CG-CG2 3.82Å; Q37-V75 HydrophobicContact CB-CG2 3.99Å; Q37-V75 WeakPolarHBondContact O-CG2 3.28Å; Q37-I78 HydrophobicContact CB-CD1 4.06Å; Q37-I78 HydrophobicContact CG-CD1 3.47Å; Q37-I78 VanDerWaalsContact CG-CD1 3.47Å; Q37-Y151 PolarHBondContact NE2-OH 3.45Å; Q37-Y151 VanDerWaalsContact NE2-OH 3.09Å
38I96.8Very high95.3Very high56 Ų5622.1 Ų22.129%0.28711%0.114SC..Hα-helixtrans-62.3-43.9170.9-70.1169.7000110.4G34 K35 A41 L42 V75 Y79 L95G34-I38 PolarHBondContact O-N 2.99Å; K35-I38 PolarHBondContact O-N 2.96Å; I38-A41 PolarHBondContact O-N 3.39Å; I38-L42 WeakPolarHBondContact O-CB 3.34Å; I38-L42 PolarHBondContact O-N 3.07Å; I38-V75 HydrophobicContact CG1-CG1 4.18Å; I38-V75 HydrophobicContact CG1-CG2 4.27Å; I38-Y79 HydrophobicContact CD1-CD2 4.01Å; I38-Y79 HydrophobicContact CD1-CE2 3.32Å; I38-Y79 HydrophobicContact CG1-CD2 4.34Å; I38-Y79 HydrophobicContact CG1-CE2 3.79Å; I38-L95 HydrophobicContact CB-CD1 4.23Å; I38-L95 HydrophobicContact CD1-CD1 4.17Å; I38-L95 HydrophobicContact CG2-CD1 3.96Å
39M97.5Very high95.4Very high1 Ų123 Ų231%0.00512%0.118CC..Hα-helixtrans-62.3-45.9178.1-67.6173.780.300111.2K35 T36 Q37 A41 L42 V43 L95 F98 L126 V129 A130 P133K35-M39 WeakPolarHBondContact O-CG 3.36Å; K35-M39 PolarHBondContact O-N 3.25Å; T36-M39 PolarHBondContact O-N 2.96Å; Q37-M39 VanDerWaalsContact C-N 3.34Å; M39-A41 PolarHBondContact O-N 2.83Å; M39-L42 PolarHBondContact O-N 3.25Å; M39-V43 VanDerWaalsContact O-CG2 3.29Å; M39-V43 WeakPolarHBondContact O-CG2 3.39Å; M39-V43 PolarHBondContact O-N 3.14Å; M39-L95 HydrophobicContact CG-CD2 3.33Å; M39-L95 HydrophobicContact SD-CD2 3.5Å; M39-L95 WeakPolarHBondContact SD-CD2 3.39Å; M39-F98 HydrophobicContact CE-CB 4.22Å; M39-L126 HydrophobicContact CE-CD1 3.47Å; M39-L126 VanDerWaalsContact CE-CD1 3.47Å; M39-L126 HydrophobicContact CE-CG 4.44Å; M39-L126 HydrophobicContact CG-CD1 4.44Å; M39-V129 HydrophobicContact CE-CG2 3.88Å; M39-A130 HydrophobicContact CB-CB 3.73Å; M39-A130 HydrophobicContact CE-CB 4.4Å; M39-P133 HydrophobicContact SD-CG 3.85Å
40F97.8Very high95.5Very high4 Ų424.5 Ų24.52%0.01813%0.126CC..Hα-helixtrans-63.5-39.7175.9-78.6-59.1000113T36 Q37 L42 V43 F44 E127 A130 I131 L155T36-F40 HydrophobicContact CG2-CD2 3.58Å; T36-F40 HydrophobicContact CG2-CE2 3.4Å; T36-F40 VanDerWaalsContact O-CD2 3.28Å; T36-F40 WeakPolarHBondContact O-CD2 3.31Å; T36-F40 PolarHBondContact O-N 3.43Å; Q37-F40 PolarHBondContact O-N 2.89Å; F40-L42 VanDerWaalsContact C-N 3.31Å; F40-L42 PolarHBondContact O-N 3.4Å; F40-V43 WeakPolarHBondContact O-CB 3.46Å; F40-V43 PolarHBondContact O-N 3.39Å; F40-F44 HydrophobicContact CB-CE2 4.38Å; F40-F44 WeakPolarHBondContact O-CD2 3.3Å; F40-F44 PolarHBondContact O-N 2.89Å; F40-E127 HydrophobicContact CE1-CG 4.02Å; F40-A130 HydrophobicContact CD1-CB 4.06Å; F40-A130 HydrophobicContact CD2-CB 4.4Å; F40-A130 HydrophobicContact CE1-CB 3.84Å; F40-A130 HydrophobicContact CE2-CB 4.21Å; F40-A130 HydrophobicContact CG-CB 4.32Å; F40-A130 HydrophobicContact CZ-CB 3.9Å; F40-I131 HydrophobicContact CE2-CD1 4.33Å; F40-L155 HydrophobicContact CE2-CD2 3.83Å; F40-L155 HydrophobicContact CZ-CD1 4.38Å; F40-L155 HydrophobicContact CZ-CD2 3.77Å; F40-L155 HydrophobicContact CZ-CG 4.44Å
41A98.2Very high95.7Very high4 Ų420.1 Ų20.13%0.03311%0.109CC..Hα-helixtrans-60.6-43.6173.800000111.2Q37 I38 M39 F44 T45 Y72 V75Q37-A41 WeakPolarHBondContact O-CB 3.32Å; Q37-A41 PolarHBondContact O-N 3.28Å; I38-A41 PolarHBondContact O-N 3.39Å; M39-A41 PolarHBondContact O-N 2.83Å; A41-F44 PolarHBondContact O-N 3.42Å; A41-T45 WeakPolarHBondContact O-CB 3.47Å; A41-T45 PolarHBondContact O-N 2.98Å; A41-T45 PolarHBondContact O-OG1 3.33Å; A41-Y72 HydrophobicContact CB-CE1 4.39Å; A41-V75 HydrophobicContact CB-CG2 4.07Å
42L97.9Very high95.9Very high55 Ų5527.8 Ų27.829%0.28814%0.137SC..Hα-helixtrans-63.6-41.7176-175.559.5000111.9I38 M39 F40 T45 T46 V99 F122 L126I38-L42 WeakPolarHBondContact O-CB 3.34Å; I38-L42 PolarHBondContact O-N 3.07Å; M39-L42 PolarHBondContact O-N 3.25Å; F40-L42 VanDerWaalsContact C-N 3.31Å; F40-L42 PolarHBondContact O-N 3.4Å; L42-T45 PolarHBondContact O-N 2.86Å; L42-T46 HydrophobicContact CD1-CG2 4.05Å; L42-T46 WeakPolarHBondContact O-CG2 3.27Å; L42-T46 PolarHBondContact O-N 3.02Å; L42-T46 PolarHBondContact O-OG1 2.88Å; L42-V99 HydrophobicContact CD2-CG1 4.02Å; L42-V99 HydrophobicContact CD2-CG2 4.49Å; L42-F122 HydrophobicContact CD2-CE1 4.09Å; L42-F122 HydrophobicContact CD2-CZ 3.88Å; L42-F122 HydrophobicContact CG-CE1 3.99Å; L42-F122 HydrophobicContact CG-CZ 4.29Å; L42-L126 HydrophobicContact CB-CD2 3.97Å; L42-L126 HydrophobicContact CD2-CD2 3.67Å; L42-L126 HydrophobicContact CG-CD2 3.78Å
43V98.2Very high95.9Very high0 Ų032.2 Ų32.20%016%0.16CC..Hα-helixtrans-55.7-52.4174.11650000111.2M39 F40 T45 T46 R47 L126 E127M39-V43 VanDerWaalsContact O-CG2 3.29Å; M39-V43 WeakPolarHBondContact O-CG2 3.39Å; M39-V43 PolarHBondContact O-N 3.14Å; F40-V43 WeakPolarHBondContact O-CB 3.46Å; F40-V43 PolarHBondContact O-N 3.39Å; V43-T45 PolarHBondContact O-N 3.44Å; V43-T46 PolarHBondContact O-N 3.24Å; V43-T46 PolarHBondContact O-OG1 3.37Å; V43-R47 WeakPolarHBondContact O-CB 3.39Å; V43-R47 PolarHBondContact O-N 3.43Å; V43-L126 HydrophobicContact CG2-CB 3.9Å; V43-L126 HydrophobicContact CG2-CD2 3.79Å; V43-L126 HydrophobicContact CG2-CG 3.75Å; V43-E127 HydrophobicContact CB-CB 4.48Å; V43-E127 HydrophobicContact CG1-CB 3.82Å; V43-E127 HydrophobicContact CG1-CG 4.11Å; V43-E127 HydrophobicContact CG2-CB 3.8Å; V43-E127 HydrophobicContact CG2-CG 4.49Å
44F98.1Very high95.7Very high0 Ų038.9 Ų38.90%019%0.186CC..Hα-helixtrans-68-37.9-177.2-64.6-52.3000112.3H12 L16 F40 A41 Y48 F67 I68H12-F44 AromaticContact CE1-CE1 3.55Å; H12-F44 AromaticContact CE1-CZ 3.24Å; H12-F44 WeakPolarHBondContact CE1-CZ 3.42Å; H12-F44 AromaticContact NE2-CZ 3.49Å; H12-F44 WeakPolarHBondContact NE2-CZ 3.31Å; L16-F44 HydrophobicContact CD1-CE2 4.46Å; F40-F44 HydrophobicContact CB-CE2 4.38Å; F40-F44 WeakPolarHBondContact O-CD2 3.3Å; F40-F44 PolarHBondContact O-N 2.89Å; A41-F44 PolarHBondContact O-N 3.42Å; F44-Y48 HydrophobicContact CB-CD2 4.14Å; F44-Y48 HydrophobicContact CB-CE2 4.2Å; F44-Y48 HydrophobicContact CD1-CD2 4.34Å; F44-Y48 AromaticContact CD1-CE2 3.56Å; F44-Y48 HydrophobicContact CD1-CE2 3.56Å; F44-Y48 HydrophobicContact CE1-CE2 4.35Å; F44-Y48 HydrophobicContact CG-CE2 4.25Å; F44-Y48 WeakPolarHBondContact O-CB 3.05Å; F44-Y48 WeakPolarHBondContact O-CD2 3.34Å; F44-Y48 PolarHBondContact O-N 3.42Å; F44-F67 HydrophobicContact CD1-CB 3.97Å; F44-F67 HydrophobicContact CD1-CG 4.46Å; F44-F67 HydrophobicContact CD2-CB 4.31Å; F44-F67 HydrophobicContact CE1-CB 4.02Å; F44-F67 HydrophobicContact CE1-CD1 4.27Å; F44-F67 HydrophobicContact CE1-CG 4.09Å; F44-F67 HydrophobicContact CE2-CB 4.36Å; F44-F67 HydrophobicContact CG-CB 4.1Å; F44-F67 HydrophobicContact CZ-CB 4.19Å; F44-F67 HydrophobicContact CZ-CD1 4.07Å; F44-F67 HydrophobicContact CZ-CG 4.28Å; F44-I68 HydrophobicContact CB-CG1 4.12Å
45T97.9Very high95.6Very high44 Ų4446.7 Ų46.727%0.2722%0.217SC..Hα-helixtrans-61.6-47.6176.7-63.90000111.4A41 L42 V43 V49 Y72A41-T45 WeakPolarHBondContact O-CB 3.47Å; A41-T45 PolarHBondContact O-N 2.98Å; A41-T45 PolarHBondContact O-OG1 3.33Å; L42-T45 PolarHBondContact O-N 2.86Å; V43-T45 PolarHBondContact O-N 3.44Å; T45-V49 WeakPolarHBondContact O-CG2 3.41Å; T45-Y72 VanDerWaalsContact OG1-CE2 3.25Å; T45-Y72 WeakPolarHBondContact OG1-CE2 3.37Å; T45-Y72 PolarHBondContact OG1-OH 2.92Å
46T97.5Very high95.3Very high15 Ų1549.8 Ų49.89%0.09223%0.234CC..Hα-helixtrans-74.7-33.8-179.556.20000112.9L42 V43 L119 F122 S123L42-T46 HydrophobicContact CD1-CG2 4.05Å; L42-T46 WeakPolarHBondContact O-CG2 3.27Å; L42-T46 PolarHBondContact O-N 3.02Å; L42-T46 PolarHBondContact O-OG1 2.88Å; V43-T46 PolarHBondContact O-N 3.24Å; V43-T46 PolarHBondContact O-OG1 3.37Å; T46-L119 HydrophobicContact CG2-CD2 4.04Å; T46-F122 HydrophobicContact CG2-CD1 3.82Å; T46-F122 HydrophobicContact CG2-CE1 3.81Å; T46-S123 WeakPolarHBondContact OG1-CB 3.16Å
47R97.4Very high95.2Very high29 Ų2951.7 Ų51.711%0.10925%0.247CC..Hα-helixtrans-67.2-37.4178.3-172.2170.5-70.7163.6-1.4113.3V43 S123 E127V43-R47 WeakPolarHBondContact O-CB 3.39Å; V43-R47 PolarHBondContact O-N 3.43Å; R47-S123 WeakPolarHBondContact CB-OG 3.28Å; R47-S123 PolarHBondContact NE-OG 3.01Å; R47-S123 PolarHBondContact NH2-O 3.29Å; R47-S123 VanDerWaalsContact NH2-O 3.17Å; R47-S123 PolarHBondContact NH2-OG 2.87Å; R47-E127 IonicContact CZ-OE2 3.19Å; R47-E127 VanDerWaalsContact NH1-CD 3.3Å; R47-E127 IonicContact NH1-OE1 3.09Å; R47-E127 PolarHBondContact NH1-OE1 2.88Å; R47-E127 IonicContact NH1-OE2 3.51Å; R47-E127 PolarHBondContact NH1-OE2 2.87Å; R47-E127 IonicContact NH2-OE2 3.7Å; R47-E127 PolarHBondContact NH2-OE2 3.34Å
48Y96.6Very high95.1Very high22 Ų2254 Ų549%0.08627%0.268CS..THydrogen-bonded Turntrans-107.520.5-168.3-57.5-33.9000113.2F44 D50 L51 K64 F67 I68F44-Y48 HydrophobicContact CB-CD2 4.14Å; F44-Y48 HydrophobicContact CB-CE2 4.2Å; F44-Y48 HydrophobicContact CD1-CD2 4.34Å; F44-Y48 AromaticContact CD1-CE2 3.56Å; F44-Y48 HydrophobicContact CD1-CE2 3.56Å; F44-Y48 HydrophobicContact CE1-CE2 4.35Å; F44-Y48 HydrophobicContact CG-CE2 4.25Å; F44-Y48 WeakPolarHBondContact O-CB 3.05Å; F44-Y48 WeakPolarHBondContact O-CD2 3.34Å; F44-Y48 PolarHBondContact O-N 3.42Å; Y48-D50 VanDerWaalsContact CA-OD1 3.31Å; Y48-D50 WeakPolarHBondContact CA-OD1 3.41Å; Y48-D50 PolarHBondContact O-N 3.18Å; Y48-L51 WeakPolarHBondContact O-CB 3.48Å; Y48-L51 PolarHBondContact O-N 3.18Å; Y48-L51 VanDerWaalsContact O-N 3.09Å; Y48-K64 HydrophobicContact CD1-CB 4.39Å; Y48-K64 HydrophobicContact CD1-CD 3.55Å; Y48-K64 VanDerWaalsContact CD1-CE 3.4Å; Y48-K64 HydrophobicContact CD1-CG 3.59Å; Y48-K64 HydrophobicContact CD2-CB 3.91Å; Y48-K64 HydrophobicContact CD2-CG 3.91Å; Y48-K64 HydrophobicContact CE1-CD 4.1Å; Y48-K64 HydrophobicContact CE1-CG 3.78Å; Y48-K64 HydrophobicContact CE2-CB 4.33Å; Y48-K64 HydrophobicContact CE2-CG 4.08Å; Y48-K64 HydrophobicContact CG-CB 3.95Å; Y48-K64 HydrophobicContact CG-CD 3.82Å; Y48-K64 HydrophobicContact CG-CG 3.67Å; Y48-F67 HydrophobicContact CE2-CB 3.95Å; Y48-F67 AromaticContact CE2-CD2 3.99Å; Y48-F67 HydrophobicContact CE2-CD2 3.99Å; Y48-F67 HydrophobicContact CE2-CG 4.37Å; Y48-I68 HydrophobicContact CD2-CD1 4.31Å; Y48-I68 HydrophobicContact CD2-CG1 4.12Å
49V95.3Very high94.9Very high45 Ų4554.5 Ų54.527%0.27327%0.266SS..G310 helixtrans-58.1-28.3169.6179.50000111.3T45 L51 F52 L116 L119T45-V49 WeakPolarHBondContact O-CG2 3.41Å; V49-L51 PolarHBondContact O-N 3.12Å; V49-F52 WeakPolarHBondContact O-CD2 3.42Å; V49-F52 PolarHBondContact O-N 3.27Å; V49-L116 HydrophobicContact CB-CD2 4.25Å; V49-L116 HydrophobicContact CG1-CD2 3.79Å; V49-L119 HydrophobicContact CG2-CD1 4.17Å
50D93.6Very high94.7Very high33 Ų3355 Ų5518%0.17627%0.269CS..G310 helixtrans-60.6-16.5176.476.4-58.4000113.8Y48 F52 I53 Y54 K64Y48-D50 VanDerWaalsContact CA-OD1 3.31Å; Y48-D50 WeakPolarHBondContact CA-OD1 3.41Å; Y48-D50 PolarHBondContact O-N 3.18Å; D50-F52 PolarHBondContact O-N 3.44Å; D50-F52 VanDerWaalsContact O-N 3.15Å; D50-I53 PolarHBondContact O-N 2.86Å; D50-Y54 HydrophobicContact CB-CD2 4.28Å; D50-Y54 PolarHBondContact O-N 3.47Å; D50-K64 IonicContact OD1-NZ 3.87Å; D50-K64 PolarHBondContact OD1-NZ 3.26Å; D50-K64 IonicContact OD2-NZ 3.59Å; D50-K64 PolarHBondContact OD2-NZ 3.09Å
51L93.3Very high94.6Very high41 Ų4156.2 Ų56.222%0.21528%0.277CS..G310 helixtrans-56.7-28.6176.9-166.176.7000113Y48 V49 I53 T61 K64 I65Y48-L51 WeakPolarHBondContact O-CB 3.48Å; Y48-L51 PolarHBondContact O-N 3.18Å; Y48-L51 VanDerWaalsContact O-N 3.09Å; V49-L51 PolarHBondContact O-N 3.12Å; L51-I53 VanDerWaalsContact C-N 3.31Å; L51-T61 HydrophobicContact CD1-CG2 3.97Å; L51-K64 HydrophobicContact CD1-CB 4.03Å; L51-K64 HydrophobicContact CD1-CD 4.08Å; L51-I65 HydrophobicContact CD2-CD1 4.24Å; L51-I65 HydrophobicContact CD2-CG1 3.6Å
52F91.2Very high94.5Very high179 Ų17961 Ų6179%0.78530%0.301SS*.G310 helixtrans-84.2-5.6179.1-59.8-73.3000113.7V49 D50V49-F52 WeakPolarHBondContact O-CD2 3.42Å; V49-F52 PolarHBondContact O-N 3.27Å; D50-F52 PolarHBondContact O-N 3.44Å; D50-F52 VanDerWaalsContact O-N 3.15Å
53I91.5Very high94.5Very high94 Ų9459.1 Ų59.148%0.48229%0.29SS..THydrogen-bonded Turntrans-122.8-43.9-169.3-54.7174.4000110.7D50 L51 L116D50-I53 PolarHBondContact O-N 2.86Å; L51-I53 VanDerWaalsContact C-N 3.31Å; I53-L116 HydrophobicContact CD1-CD1 3.5Å; I53-L116 VanDerWaalsContact CD1-CD1 3.5Å; I53-L116 HydrophobicContact CD1-CD2 3.96Å; I53-L116 HydrophobicContact CD1-CG 4.29Å
54Y89.7Confident94.4Very high142 Ų14259.9 Ų59.956%0.55729%0.294SS*.  trans-122.5125.5-173-56.4-69.1000111.9D50 L116D50-Y54 HydrophobicContact CB-CD2 4.28Å; D50-Y54 PolarHBondContact O-N 3.47Å; Y54-L116 HydrophobicContact CE2-CD1 4.42Å
55Y91.8Very high94.4Very high165 Ų16564 Ų6465%0.64732%0.315SS*.  trans-97.4121.8166.8179.9-94.6000110.1A58Y55-A58 PolarHBondContact OH-N 2.89Å
56I89.4Confident94.4Very high113 Ų11363.9 Ų63.958%0.57931%0.314SS*.  trans-104.7-54.9178.2-59.8173.3000110.7
57S92.8Very high94.4Very high40 Ų4063.3 Ų63.328%0.2831%0.31SS..  trans-163.6156.8179.462.30000110.7Y59 N60 T61S57-Y59 VanDerWaalsContact C-N 3.29Å; S57-Y59 PolarHBondContact O-N 2.96Å; S57-N60 PolarHBondContact O-N 3.16Å; S57-N60 WeakPolarHBondContact OG-CB 3.35Å; S57-N60 PolarHBondContact OG-N 2.74Å; S57-T61 PolarHBondContact O-N 3.3Å; S57-T61 PolarHBondContact O-OG1 3.44Å
58A93.8Very high94.4Very high53 Ų5363.9 Ų63.944%0.43832%0.316SS..Hα-helixtrans-56.1-43.7177.300000111.9Y55 N60 T61 I62Y55-A58 PolarHBondContact OH-N 2.89Å; A58-N60 PolarHBondContact O-N 2.75Å; A58-T61 PolarHBondContact O-N 3.43Å; A58-I62 WeakPolarHBondContact O-CB 3.37Å; A58-I62 WeakPolarHBondContact O-CD1 3.24Å; A58-I62 WeakPolarHBondContact O-CG1 3.25Å; A58-I62 PolarHBondContact O-N 2.97Å
59Y93.9Very high94.5Very high65 Ų6565.5 Ų65.526%0.25533%0.333SS..Hα-helixtrans-57.3-52.1176.5175.7-89.2000111.9M1 L6 D9 S57 T61 I62 M63M1-Y59 HydrophobicContact CE-CD1 3.17Å; M1-Y59 HydrophobicContact CE-CD2 4.45Å; M1-Y59 HydrophobicContact CE-CE1 3.35Å; M1-Y59 HydrophobicContact CE-CG 3.78Å; M1-Y59 HydrophobicContact SD-CD1 3.68Å; M1-Y59 HydrophobicContact SD-CE1 3.65Å; L6-Y59 HydrophobicContact CD1-CE1 4.27Å; L6-Y59 HydrophobicContact CD1-CE2 3.85Å; L6-Y59 WeakPolarHBondContact CD1-OH 3.28Å; D9-Y59 WeakPolarHBondContact CB-OH 3.26Å; S57-Y59 VanDerWaalsContact C-N 3.29Å; S57-Y59 PolarHBondContact O-N 2.96Å; Y59-T61 VanDerWaalsContact C-N 3.34Å; Y59-T61 PolarHBondContact O-N 3.24Å; Y59-I62 PolarHBondContact O-N 3.13Å; Y59-M63 HydrophobicContact CD1-CG 4.13Å; Y59-M63 HydrophobicContact CD2-CG 4.29Å; Y59-M63 HydrophobicContact CE1-CG 3.67Å; Y59-M63 HydrophobicContact CE2-CG 3.83Å; Y59-M63 HydrophobicContact CE2-SD 4.25Å; Y59-M63 HydrophobicContact CG-CG 4.42Å; Y59-M63 VanDerWaalsContact CZ-CG 3.49Å; Y59-M63 WeakPolarHBondContact O-CB 3.25Å; Y59-M63 WeakPolarHBondContact O-CG 3.27Å; Y59-M63 PolarHBondContact O-N 3.42Å
60N93Very high94.6Very high12 Ų1265 Ų656%0.06433%0.329CS..Hα-helixtrans-61.9-43.2-177.9179.979.8000111.4S57 A58 K64S57-N60 PolarHBondContact O-N 3.16Å; S57-N60 WeakPolarHBondContact OG-CB 3.35Å; S57-N60 PolarHBondContact OG-N 2.74Å; A58-N60 PolarHBondContact O-N 2.75Å; N60-K64 WeakPolarHBondContact ND2-CE 3.42Å; N60-K64 WeakPolarHBondContact O-CB 3.42Å; N60-K64 VanDerWaalsContact O-CG 3.26Å; N60-K64 WeakPolarHBondContact O-CG 3.37Å; N60-K64 PolarHBondContact O-N 2.94Å
61T95.7Very high94.9Very high30 Ų3063.5 Ų63.518%0.18432%0.321CS..Hα-helixtrans-62-48176.8-61.60000111.5L51 S57 A58 Y59 K64 I65L51-T61 HydrophobicContact CD1-CG2 3.97Å; S57-T61 PolarHBondContact O-N 3.3Å; S57-T61 PolarHBondContact O-OG1 3.44Å; A58-T61 PolarHBondContact O-N 3.43Å; Y59-T61 VanDerWaalsContact C-N 3.34Å; Y59-T61 PolarHBondContact O-N 3.24Å; T61-K64 PolarHBondContact O-N 3.43Å; T61-I65 HydrophobicContact CG2-CD1 3.92Å; T61-I65 VanDerWaalsContact O-CG1 3.31Å; T61-I65 WeakPolarHBondContact O-CG1 3.47Å; T61-I65 PolarHBondContact O-N 3.47Å
62I96.4Very high95.1Very high104 Ų10467 Ų6753%0.53333%0.332SS..Hα-helixtrans-62.4-45.8179.7-69.7165.8000111.1A58 Y59 I65 T66A58-I62 WeakPolarHBondContact O-CB 3.37Å; A58-I62 WeakPolarHBondContact O-CD1 3.24Å; A58-I62 WeakPolarHBondContact O-CG1 3.25Å; A58-I62 PolarHBondContact O-N 2.97Å; Y59-I62 PolarHBondContact O-N 3.13Å; I62-I65 PolarHBondContact O-N 3.01Å; I62-T66 WeakPolarHBondContact O-CB 3.48Å; I62-T66 PolarHBondContact O-N 3.26Å; I62-T66 PolarHBondContact O-OG1 2.97Å
63M96.4Very high95.4Very high15 Ų1561.8 Ų61.87%0.07431%0.312CS..Hα-helixtrans-62.4-45.8179.2-73.8-60.6-58.700111.9D9 L13 Y59 I65 T66 F67D9-M63 HydrophobicContact CB-CE 4.04Å; L13-M63 HydrophobicContact CB-CE 4.2Å; L13-M63 HydrophobicContact CD2-CE 4.21Å; L13-M63 HydrophobicContact CD2-SD 4.31Å; Y59-M63 HydrophobicContact CD1-CG 4.13Å; Y59-M63 HydrophobicContact CD2-CG 4.29Å; Y59-M63 HydrophobicContact CE1-CG 3.67Å; Y59-M63 HydrophobicContact CE2-CG 3.83Å; Y59-M63 HydrophobicContact CE2-SD 4.25Å; Y59-M63 HydrophobicContact CG-CG 4.42Å; Y59-M63 VanDerWaalsContact CZ-CG 3.49Å; Y59-M63 WeakPolarHBondContact O-CB 3.25Å; Y59-M63 WeakPolarHBondContact O-CG 3.27Å; Y59-M63 PolarHBondContact O-N 3.42Å; M63-I65 PolarHBondContact O-N 3.21Å; M63-T66 WeakPolarHBondContact O-CB 3.31Å; M63-T66 PolarHBondContact O-N 2.91Å; M63-F67 HydrophobicContact CB-CD2 4.49Å; M63-F67 HydrophobicContact CB-CE2 4.21Å; M63-F67 HydrophobicContact CE-CD2 4.47Å; M63-F67 HydrophobicContact CE-CE1 4.19Å; M63-F67 HydrophobicContact CE-CE2 3.56Å; M63-F67 HydrophobicContact CE-CZ 3.38Å; M63-F67 WeakPolarHBondContact O-CD2 3.36Å; M63-F67 WeakPolarHBondContact O-CG 3.44Å; M63-F67 PolarHBondContact O-N 3.45Å
64K97.2Very high95.7Very high17 Ų1757.3 Ų57.37%0.07429%0.289CS..Hα-helixtrans-58.9-48177.3-73.9-176.2173.9-163.80112Y48 D50 L51 N60 T61 T66 F67 I68Y48-K64 HydrophobicContact CD1-CB 4.39Å; Y48-K64 HydrophobicContact CD1-CD 3.55Å; Y48-K64 VanDerWaalsContact CD1-CE 3.4Å; Y48-K64 HydrophobicContact CD1-CG 3.59Å; Y48-K64 HydrophobicContact CD2-CB 3.91Å; Y48-K64 HydrophobicContact CD2-CG 3.91Å; Y48-K64 HydrophobicContact CE1-CD 4.1Å; Y48-K64 HydrophobicContact CE1-CG 3.78Å; Y48-K64 HydrophobicContact CE2-CB 4.33Å; Y48-K64 HydrophobicContact CE2-CG 4.08Å; Y48-K64 HydrophobicContact CG-CB 3.95Å; Y48-K64 HydrophobicContact CG-CD 3.82Å; Y48-K64 HydrophobicContact CG-CG 3.67Å; D50-K64 IonicContact OD1-NZ 3.87Å; D50-K64 PolarHBondContact OD1-NZ 3.26Å; D50-K64 IonicContact OD2-NZ 3.59Å; D50-K64 PolarHBondContact OD2-NZ 3.09Å; L51-K64 HydrophobicContact CD1-CB 4.03Å; L51-K64 HydrophobicContact CD1-CD 4.08Å; N60-K64 WeakPolarHBondContact ND2-CE 3.42Å; N60-K64 WeakPolarHBondContact O-CB 3.42Å; N60-K64 VanDerWaalsContact O-CG 3.26Å; N60-K64 WeakPolarHBondContact O-CG 3.37Å; N60-K64 PolarHBondContact O-N 2.94Å; T61-K64 PolarHBondContact O-N 3.43Å; K64-T66 VanDerWaalsContact C-N 3.3Å; K64-T66 PolarHBondContact O-N 3.39Å; K64-F67 PolarHBondContact O-N 2.97Å; K64-I68 WeakPolarHBondContact O-CG1 3.41Å; K64-I68 PolarHBondContact O-N 2.9Å; K64-I68 VanDerWaalsContact O-N 3.13Å
65I97.4Very high96.1Very high86 Ų8651.8 Ų51.844%0.44127%0.27SS..Hα-helixtrans-60.2-43.7176.6-67.7169.2000110.5L51 T61 I62 M63 I68 A69L51-I65 HydrophobicContact CD2-CD1 4.24Å; L51-I65 HydrophobicContact CD2-CG1 3.6Å; T61-I65 HydrophobicContact CG2-CD1 3.92Å; T61-I65 VanDerWaalsContact O-CG1 3.31Å; T61-I65 WeakPolarHBondContact O-CG1 3.47Å; T61-I65 PolarHBondContact O-N 3.47Å; I62-I65 PolarHBondContact O-N 3.01Å; M63-I65 PolarHBondContact O-N 3.21Å; I65-I68 PolarHBondContact O-N 3.41Å; I65-A69 VanDerWaalsContact O-CB 3.29Å; I65-A69 WeakPolarHBondContact O-CB 3.47Å; I65-A69 PolarHBondContact O-N 2.9Å
66T98Very high96.3Very high42 Ų4249.6 Ų49.626%0.25826%0.262SS..Hα-helixtrans-61.8-45.4179.3-59.50000111.3L13 I62 M63 K64 I68 A69 L70L13-T66 HydrophobicContact CD1-CG2 3.72Å; I62-T66 WeakPolarHBondContact O-CB 3.48Å; I62-T66 PolarHBondContact O-N 3.26Å; I62-T66 PolarHBondContact O-OG1 2.97Å; M63-T66 WeakPolarHBondContact O-CB 3.31Å; M63-T66 PolarHBondContact O-N 2.91Å; K64-T66 VanDerWaalsContact C-N 3.3Å; K64-T66 PolarHBondContact O-N 3.39Å; T66-I68 PolarHBondContact O-N 3.17Å; T66-A69 PolarHBondContact O-N 3.05Å; T66-L70 HydrophobicContact CG2-CD1 3.67Å; T66-L70 HydrophobicContact CG2-CG 4.05Å; T66-L70 WeakPolarHBondContact O-CB 2.82Å; T66-L70 VanDerWaalsContact O-CG 3.26Å; T66-L70 WeakPolarHBondContact O-CG 2.75Å; T66-L70 PolarHBondContact O-N 2.94Å
67F98.2Very high96.7Very high2 Ų245.4 Ų45.41%0.00924%0.239CC..Hα-helixtrans-59.5-48177.7-73.9-51.2000112.2H12 L13 L16 F44 Y48 M63 K64 S71H12-F67 HydrophobicContact CB-CE1 3.93Å; H12-F67 HydrophobicContact CB-CZ 4.06Å; H12-F67 AromaticContact CG-CE1 3.83Å; L13-F67 HydrophobicContact CB-CE1 4.34Å; L16-F67 HydrophobicContact CD1-CD1 3.57Å; L16-F67 HydrophobicContact CD1-CE1 4.12Å; F44-F67 HydrophobicContact CD1-CB 3.97Å; F44-F67 HydrophobicContact CD1-CG 4.46Å; F44-F67 HydrophobicContact CD2-CB 4.31Å; F44-F67 HydrophobicContact CE1-CB 4.02Å; F44-F67 HydrophobicContact CE1-CD1 4.27Å; F44-F67 HydrophobicContact CE1-CG 4.09Å; F44-F67 HydrophobicContact CE2-CB 4.36Å; F44-F67 HydrophobicContact CG-CB 4.1Å; F44-F67 HydrophobicContact CZ-CB 4.19Å; F44-F67 HydrophobicContact CZ-CD1 4.07Å; F44-F67 HydrophobicContact CZ-CG 4.28Å; Y48-F67 HydrophobicContact CE2-CB 3.95Å; Y48-F67 AromaticContact CE2-CD2 3.99Å; Y48-F67 HydrophobicContact CE2-CD2 3.99Å; Y48-F67 HydrophobicContact CE2-CG 4.37Å; M63-F67 HydrophobicContact CB-CD2 4.49Å; M63-F67 HydrophobicContact CB-CE2 4.21Å; M63-F67 HydrophobicContact CE-CD2 4.47Å; M63-F67 HydrophobicContact CE-CE1 4.19Å; M63-F67 HydrophobicContact CE-CE2 3.56Å; M63-F67 HydrophobicContact CE-CZ 3.38Å; M63-F67 WeakPolarHBondContact O-CD2 3.36Å; M63-F67 WeakPolarHBondContact O-CG 3.44Å; M63-F67 PolarHBondContact O-N 3.45Å; K64-F67 PolarHBondContact O-N 2.97Å; F67-S71 WeakPolarHBondContact O-CB 3.47Å; F67-S71 PolarHBondContact O-N 3.28Å; F67-S71 PolarHBondContact O-OG 3.2Å; F67-S71 VanDerWaalsContact O-OG 3.08Å
68I98Very high96.8Very high42 Ų4243.5 Ų43.522%0.21523%0.226CC..Hα-helixtrans-60.5-50.4177-64.1168.9000110.5F44 Y48 K64 I65 T66 L70 S71 Y72F44-I68 HydrophobicContact CB-CG1 4.12Å; Y48-I68 HydrophobicContact CD2-CD1 4.31Å; Y48-I68 HydrophobicContact CD2-CG1 4.12Å; K64-I68 WeakPolarHBondContact O-CG1 3.41Å; K64-I68 PolarHBondContact O-N 2.9Å; K64-I68 VanDerWaalsContact O-N 3.13Å; I65-I68 PolarHBondContact O-N 3.41Å; T66-I68 PolarHBondContact O-N 3.17Å; I68-L70 PolarHBondContact O-N 3.45Å; I68-S71 PolarHBondContact O-N 3.46Å; I68-S71 PolarHBondContact O-OG 2.89Å; I68-Y72 HydrophobicContact CG2-CD2 3.73Å; I68-Y72 HydrophobicContact CG2-CE2 3.79Å; I68-Y72 VanDerWaalsContact O-CD2 3.26Å; I68-Y72 WeakPolarHBondContact O-CD2 3.37Å; I68-Y72 PolarHBondContact O-N 3.41Å
69A98.3Very high96.9Very high56 Ų5643.5 Ų43.546%0.46322%0.215SC..Hα-helixtrans-61.6-46.8-176.800000111.8I65 T66 L73I65-A69 VanDerWaalsContact O-CB 3.29Å; I65-A69 WeakPolarHBondContact O-CB 3.47Å; I65-A69 PolarHBondContact O-N 2.9Å; T66-A69 PolarHBondContact O-N 3.05Å; A69-L73 VanDerWaalsContact O-CB 3.25Å; A69-L73 WeakPolarHBondContact O-CB 3.48Å; A69-L73 PolarHBondContact O-N 2.63Å
70L98.1Very high96.9Very high34 Ų3444.9 Ų44.918%0.17823%0.23CC..Hα-helixtrans-69.4-34.7180-64.8-176.8000112.4L13 L16 L20 T66 I68 L73 T74L13-L70 HydrophobicContact CD1-CD1 3.66Å; L16-L70 HydrophobicContact CB-CB 4.46Å; L16-L70 HydrophobicContact CB-CD1 4.22Å; L16-L70 HydrophobicContact CD1-CB 4.16Å; L16-L70 HydrophobicContact CD1-CD1 4.45Å; L20-L70 HydrophobicContact CD1-CB 4.19Å; L20-L70 HydrophobicContact CD1-CD2 3.65Å; L20-L70 HydrophobicContact CD1-CG 4.35Å; T66-L70 HydrophobicContact CG2-CD1 3.67Å; T66-L70 HydrophobicContact CG2-CG 4.05Å; T66-L70 WeakPolarHBondContact O-CB 2.82Å; T66-L70 VanDerWaalsContact O-CG 3.26Å; T66-L70 WeakPolarHBondContact O-CG 2.75Å; T66-L70 PolarHBondContact O-N 2.94Å; I68-L70 PolarHBondContact O-N 3.45Å; L70-L73 HydrophobicContact CD2-CD2 4.4Å; L70-L73 PolarHBondContact O-N 3.12Å; L70-T74 WeakPolarHBondContact O-CB 3.31Å; L70-T74 PolarHBondContact O-N 3.44Å; L70-T74 PolarHBondContact O-OG1 3.44Å
71S97.9Very high97.1Very high2 Ų249.2 Ų49.21%0.01425%0.248CC..Hα-helixtrans-65.8-45.6175.762.30000111.8F67 I68 T74 V75F67-S71 WeakPolarHBondContact O-CB 3.47Å; F67-S71 PolarHBondContact O-N 3.28Å; F67-S71 PolarHBondContact O-OG 3.2Å; F67-S71 VanDerWaalsContact O-OG 3.08Å; I68-S71 PolarHBondContact O-N 3.46Å; I68-S71 PolarHBondContact O-OG 2.89Å; S71-T74 WeakPolarHBondContact O-CB 3.19Å; S71-T74 PolarHBondContact O-N 3Å; S71-V75 WeakPolarHBondContact O-CG2 3.42Å; S71-V75 PolarHBondContact O-N 3.24Å
72Y98.4Very high97Very high115 Ų11549 Ų4945%0.45125%0.245SC..Hα-helixtrans-67.8-37176.1-80.4-69000112.4A41 T45 I68 T74 V75 Y76A41-Y72 HydrophobicContact CB-CE1 4.39Å; T45-Y72 VanDerWaalsContact OG1-CE2 3.25Å; T45-Y72 WeakPolarHBondContact OG1-CE2 3.37Å; T45-Y72 PolarHBondContact OG1-OH 2.92Å; I68-Y72 HydrophobicContact CG2-CD2 3.73Å; I68-Y72 HydrophobicContact CG2-CE2 3.79Å; I68-Y72 VanDerWaalsContact O-CD2 3.26Å; I68-Y72 WeakPolarHBondContact O-CD2 3.37Å; I68-Y72 PolarHBondContact O-N 3.41Å; Y72-T74 VanDerWaalsContact C-N 3.29Å; Y72-T74 PolarHBondContact O-N 3.36Å; Y72-V75 PolarHBondContact O-N 3.12Å; Y72-Y76 WeakPolarHBondContact O-CB 3.49Å; Y72-Y76 PolarHBondContact O-N 3.28Å
73L98.1Very high96.8Very high68 Ų6850.5 Ų50.536%0.35625%0.248SC..Hα-helixtrans-60.5-41173.8-178.361.8000111.6L20 A69 L70 Y76 F77L20-L73 HydrophobicContact CD1-CD2 4.21Å; L20-L73 HydrophobicContact CD2-CD2 4.18Å; L20-L73 HydrophobicContact CD2-CG 4.07Å; A69-L73 VanDerWaalsContact O-CB 3.25Å; A69-L73 WeakPolarHBondContact O-CB 3.48Å; A69-L73 PolarHBondContact O-N 2.63Å; L70-L73 HydrophobicContact CD2-CD2 4.4Å; L70-L73 PolarHBondContact O-N 3.12Å; L73-Y76 HydrophobicContact CD1-CD1 4.4Å; L73-Y76 PolarHBondContact O-N 2.87Å; L73-F77 HydrophobicContact CD1-CD1 4.34Å; L73-F77 HydrophobicContact CD1-CE1 3.8Å; L73-F77 HydrophobicContact CD1-CE2 4.15Å; L73-F77 HydrophobicContact CD1-CZ 3.68Å; L73-F77 HydrophobicContact CD2-CE2 4.39Å; L73-F77 HydrophobicContact CD2-CZ 4.47Å; L73-F77 HydrophobicContact CG-CD2 4.45Å; L73-F77 HydrophobicContact CG-CE2 4.05Å; L73-F77 HydrophobicContact CG-CZ 4.1Å; L73-F77 WeakPolarHBondContact O-CG 3.24Å; L73-F77 PolarHBondContact O-N 3.34Å
74T97.6Very high96.6Very high0 Ų055 Ų550%029%0.287CS..Hα-helixtrans-63.2-47.9176.1-57.80000110.9L19 L20 I23 Q37 L70 S71 Y72 Y76 F77 I78L19-T74 HydrophobicContact CD2-CG2 3.6Å; L19-T74 HydrophobicContact CG-CG2 4.15Å; L20-T74 WeakPolarHBondContact CD2-OG1 3.5Å; I23-T74 HydrophobicContact CD1-CG2 4.06Å; Q37-T74 HydrophobicContact CB-CG2 4.2Å; Q37-T74 HydrophobicContact CG-CG2 3.82Å; L70-T74 WeakPolarHBondContact O-CB 3.31Å; L70-T74 PolarHBondContact O-N 3.44Å; L70-T74 PolarHBondContact O-OG1 3.44Å; S71-T74 WeakPolarHBondContact O-CB 3.19Å; S71-T74 PolarHBondContact O-N 3Å; Y72-T74 VanDerWaalsContact C-N 3.29Å; Y72-T74 PolarHBondContact O-N 3.36Å; T74-Y76 VanDerWaalsContact C-N 3.33Å; T74-Y76 PolarHBondContact O-N 3.36Å; T74-F77 PolarHBondContact O-N 3.11Å; T74-I78 HydrophobicContact CG2-CD1 4Å; T74-I78 WeakPolarHBondContact O-CG1 3.48Å; T74-I78 PolarHBondContact O-N 3.04Å
75V97.4Very high96.4Very high27 Ų2756.3 Ų56.316%0.16430%0.297CS..Hα-helixtrans-59.6-43176.1172.10000111.3Q37 I38 A41 S71 Y72 I78 Y79Q37-V75 HydrophobicContact CB-CG2 3.99Å; Q37-V75 WeakPolarHBondContact O-CG2 3.28Å; I38-V75 HydrophobicContact CG1-CG1 4.18Å; I38-V75 HydrophobicContact CG1-CG2 4.27Å; A41-V75 HydrophobicContact CB-CG2 4.07Å; S71-V75 WeakPolarHBondContact O-CG2 3.42Å; S71-V75 PolarHBondContact O-N 3.24Å; Y72-V75 PolarHBondContact O-N 3.12Å; V75-I78 PolarHBondContact O-N 2.77Å; V75-Y79 HydrophobicContact CG1-CD2 4.12Å; V75-Y79 PolarHBondContact O-N 3.08Å
76Y97.6Very high96Very high119 Ų11954.3 Ų54.347%0.46729%0.287SS..Hα-helixtrans-60.9-44.4175.6169.2-98.5000111.8Y72 L73 T74 I78 V80 K81Y72-Y76 WeakPolarHBondContact O-CB 3.49Å; Y72-Y76 PolarHBondContact O-N 3.28Å; L73-Y76 HydrophobicContact CD1-CD1 4.4Å; L73-Y76 PolarHBondContact O-N 2.87Å; T74-Y76 VanDerWaalsContact C-N 3.33Å; T74-Y76 PolarHBondContact O-N 3.36Å; Y76-I78 VanDerWaalsContact C-N 3.31Å; Y76-I78 PolarHBondContact O-N 3.35Å; Y76-V80 HydrophobicContact CD2-CB 3.75Å; Y76-V80 HydrophobicContact CD2-CG1 4.14Å; Y76-V80 HydrophobicContact CD2-CG2 3.86Å; Y76-V80 HydrophobicContact CE2-CB 3.78Å; Y76-V80 HydrophobicContact CE2-CG1 3.67Å; Y76-V80 HydrophobicContact CE2-CG2 4.25Å; Y76-V80 HydrophobicContact CG-CB 4.49Å; Y76-V80 WeakPolarHBondContact O-CA 3.47Å; Y76-V80 VanDerWaalsContact O-CB 3.27Å; Y76-V80 WeakPolarHBondContact O-CB 3.26Å; Y76-V80 PolarHBondContact O-N 3.27Å; Y76-K81 HydrophobicContact CE1-CB 4.26Å; Y76-K81 HydrophobicContact CE1-CD 4.46Å; Y76-K81 PolarHBondContact O-N 3.27Å
77F97.1Very high95.3Very high25 Ų2553 Ų5311%0.1128%0.278CS..Iπ-helixtrans-62.9-38.6176.6-75.3-13000112.5L20 I23 L73 T74 K81 F82L20-F77 HydrophobicContact CD2-CD2 3.67Å; L20-F77 HydrophobicContact CD2-CE2 3.82Å; I23-F77 HydrophobicContact CG2-CB 3.92Å; I23-F77 HydrophobicContact CG2-CD2 4.28Å; I23-F77 HydrophobicContact CG2-CG 4.45Å; L73-F77 HydrophobicContact CD1-CD1 4.34Å; L73-F77 HydrophobicContact CD1-CE1 3.8Å; L73-F77 HydrophobicContact CD1-CE2 4.15Å; L73-F77 HydrophobicContact CD1-CZ 3.68Å; L73-F77 HydrophobicContact CD2-CE2 4.39Å; L73-F77 HydrophobicContact CD2-CZ 4.47Å; L73-F77 HydrophobicContact CG-CD2 4.45Å; L73-F77 HydrophobicContact CG-CE2 4.05Å; L73-F77 HydrophobicContact CG-CZ 4.1Å; L73-F77 WeakPolarHBondContact O-CG 3.24Å; L73-F77 PolarHBondContact O-N 3.34Å; T74-F77 PolarHBondContact O-N 3.11Å; F77-K81 HydrophobicContact CD1-CB 4.12Å; F77-K81 HydrophobicContact CD1-CD 3.68Å; F77-K81 HydrophobicContact CE1-CD 3.77Å; F77-F82 HydrophobicContact CB-CD2 4.12Å; F77-F82 HydrophobicContact CB-CE2 4.44Å; F77-F82 HydrophobicContact CG-CE2 4.38Å; F77-F82 WeakPolarHBondContact O-CB 3.08Å; F77-F82 WeakPolarHBondContact O-CD2 3.42Å; F77-F82 PolarHBondContact O-N 3.13Å
78I95Very high94.4Very high0 Ų058.3 Ų58.30%031%0.31CS..Iπ-helixtrans-73.1-52.9-179.3-66.1170.6000112.1I23 C29 Q37 T74 V75 Y76 K83 L86I23-I78 HydrophobicContact CD1-CD1 4.34Å; I23-I78 HydrophobicContact CD1-CG1 4.08Å; C29-I78 HydrophobicContact CB-CG1 4.46Å; Q37-I78 HydrophobicContact CB-CD1 4.06Å; Q37-I78 HydrophobicContact CG-CD1 3.47Å; Q37-I78 VanDerWaalsContact CG-CD1 3.47Å; T74-I78 HydrophobicContact CG2-CD1 4Å; T74-I78 WeakPolarHBondContact O-CG1 3.48Å; T74-I78 PolarHBondContact O-N 3.04Å; V75-I78 PolarHBondContact O-N 2.77Å; Y76-I78 VanDerWaalsContact C-N 3.31Å; Y76-I78 PolarHBondContact O-N 3.35Å; I78-K83 VanDerWaalsContact O-CA 3.24Å; I78-K83 WeakPolarHBondContact O-CA 3.4Å; I78-K83 PolarHBondContact O-N 3.09Å; I78-L86 HydrophobicContact CG2-CD1 3.67Å
79Y95Very high93.5Very high52 Ų5258.5 Ų58.520%0.20431%0.312CS..Iπ-helixtrans-94.7-10.5-169.5-74.2-67.3000115G34 K35 I38 V75 K83 L86 D90G34-Y79 VanDerWaalsContact CA-OH 3.28Å; G34-Y79 WeakPolarHBondContact CA-OH 3.37Å; K35-Y79 WeakPolarHBondContact CD-OH 3.39Å; K35-Y79 PolarHBondContact N-OH 3.29Å; I38-Y79 HydrophobicContact CD1-CD2 4.01Å; I38-Y79 HydrophobicContact CD1-CE2 3.32Å; I38-Y79 HydrophobicContact CG1-CD2 4.34Å; I38-Y79 HydrophobicContact CG1-CE2 3.79Å; V75-Y79 HydrophobicContact CG1-CD2 4.12Å; V75-Y79 PolarHBondContact O-N 3.08Å; Y79-K83 WeakPolarHBondContact O-CD 3.28Å; Y79-L86 HydrophobicContact CD1-CD2 4.32Å; Y79-L86 HydrophobicContact CE1-CD2 3.82Å; Y79-D90 PolarHBondContact OH-OD2 3.41Å
80V95.3Very high92.6Very high95 Ų9556.3 Ų56.358%0.57629%0.292SS*.Iπ-helixtrans-117.8-63.6178.3-172.50000110.7Y76Y76-V80 HydrophobicContact CD2-CB 3.75Å; Y76-V80 HydrophobicContact CD2-CG1 4.14Å; Y76-V80 HydrophobicContact CD2-CG2 3.86Å; Y76-V80 HydrophobicContact CE2-CB 3.78Å; Y76-V80 HydrophobicContact CE2-CG1 3.67Å; Y76-V80 HydrophobicContact CE2-CG2 4.25Å; Y76-V80 HydrophobicContact CG-CB 4.49Å; Y76-V80 WeakPolarHBondContact O-CA 3.47Å; Y76-V80 VanDerWaalsContact O-CB 3.27Å; Y76-V80 WeakPolarHBondContact O-CB 3.26Å; Y76-V80 PolarHBondContact O-N 3.27Å
81K95.9Very high91.7Very high103 Ų10361 Ų6145%0.44831%0.313SS..Iπ-helixtrans-72.2-42.9-169-170.1169.7-175161.20114Y76 F77Y76-K81 HydrophobicContact CE1-CB 4.26Å; Y76-K81 HydrophobicContact CE1-CD 4.46Å; Y76-K81 PolarHBondContact O-N 3.27Å; F77-K81 HydrophobicContact CD1-CB 4.12Å; F77-K81 HydrophobicContact CD1-CD 3.68Å; F77-K81 HydrophobicContact CE1-CD 3.77Å
82F95.1Very high90.8Very high25 Ų2564.7 Ų64.711%0.1133%0.333CS..SBendtrans-118.624.6-175.9-58.3-67.7000112.1I23 R27 F77 A84 T85I23-F82 HydrophobicContact CG2-CD2 3.54Å; I23-F82 HydrophobicContact CG2-CE2 3.79Å; R27-F82 HydrophobicContact CB-CD1 4.5Å; R27-F82 HydrophobicContact CB-CE1 3.93Å; R27-F82 HydrophobicContact CG-CE1 4.42Å; R27-F82 WeakPolarHBondContact O-CD1 3.37Å; F77-F82 HydrophobicContact CB-CD2 4.12Å; F77-F82 HydrophobicContact CB-CE2 4.44Å; F77-F82 HydrophobicContact CG-CE2 4.38Å; F77-F82 WeakPolarHBondContact O-CB 3.08Å; F77-F82 WeakPolarHBondContact O-CD2 3.42Å; F77-F82 PolarHBondContact O-N 3.13Å; F82-A84 PolarHBondContact O-N 2.99Å; F82-A84 VanDerWaalsContact O-N 3.09Å; F82-T85 PolarHBondContact O-N 3.18Å; F82-T85 PolarHBondContact O-OG1 3.47Å
83K91.8Very high90.1Very high136 Ų13660.4 Ų60.459%0.59132%0.316SS*.G310 helixtrans-51-36.5-179.3-175.2-175.5175.6-179.10113.4I78 Y79 T85 L86I78-K83 VanDerWaalsContact O-CA 3.24Å; I78-K83 WeakPolarHBondContact O-CA 3.4Å; I78-K83 PolarHBondContact O-N 3.09Å; Y79-K83 WeakPolarHBondContact O-CD 3.28Å; K83-T85 PolarHBondContact O-N 3.19Å; K83-L86 VanDerWaalsContact O-CB 3.25Å; K83-L86 WeakPolarHBondContact O-CB 3.5Å; K83-L86 PolarHBondContact O-N 2.98Å; K83-L86 VanDerWaalsContact O-N 3.16Å
84A92.1Very high89.8Confident109 Ų10964.5 Ų64.590%0.90133%0.327SS*.G310 helixtrans-64-17.8178.900000114F82F82-A84 PolarHBondContact O-N 2.99Å; F82-A84 VanDerWaalsContact O-N 3.09Å
85T91.7Very high89.4Confident45 Ų4565.7 Ų65.728%0.27633%0.333SS..G310 helixtrans-104.48.7179.4680000112.9S28 C29 K30 F82 K83S28-T85 WeakPolarHBondContact CA-OG1 3.47Å; C29-T85 CarbonylContact C-O 3.43Å; C29-T85 VanDerWaalsContact C-O 3.31Å; C29-T85 PolarHBondContact N-OG1 3.4Å; K30-T85 PolarHBondContact N-O 3.27Å; K30-T85 VanDerWaalsContact N-O 3.09Å; F82-T85 PolarHBondContact O-N 3.18Å; F82-T85 PolarHBondContact O-OG1 3.47Å; K83-T85 PolarHBondContact O-N 3.19Å
86L89.1Confident89.2Confident44 Ų4468 Ų6823%0.2335%0.348CS..  trans-61.5137.8178-175.865.8000110I78 Y79 K83 T88 D90I78-L86 HydrophobicContact CG2-CD1 3.67Å; Y79-L86 HydrophobicContact CD1-CD2 4.32Å; Y79-L86 HydrophobicContact CE1-CD2 3.82Å; K83-L86 VanDerWaalsContact O-CB 3.25Å; K83-L86 WeakPolarHBondContact O-CB 3.5Å; K83-L86 PolarHBondContact O-N 2.98Å; K83-L86 VanDerWaalsContact O-N 3.16Å; L86-T88 PolarHBondContact O-N 3.32Å; L86-D90 HydrophobicContact CD1-CB 4.11Å; L86-D90 HydrophobicContact CD2-CB 4.18Å; L86-D90 HydrophobicContact CG-CB 4.05Å
87D83.3Confident89Confident15 Ų1569.8 Ų69.88%0.0836%0.356CS..  trans-60135.2178-158.7-73.5000110.8G31 N89 D90 M137G31-D87 PolarHBondContact N-OD2 3.26Å; G31-D87 VanDerWaalsContact N-OD2 3.12Å; D87-N89 PolarHBondContact O-N 2.86Å; D87-N89 VanDerWaalsContact O-N 3.14Å; D87-N89 WeakPolarHBondContact OD1-CB 3.45Å; D87-N89 PolarHBondContact OD1-N 3.36Å; D87-N89 PolarHBondContact OD1-ND2 3.48Å; D87-D90 WeakPolarHBondContact O-CB 3.32Å; D87-D90 PolarHBondContact O-N 2.91Å; D87-D90 VanDerWaalsContact O-N 3.12Å; D87-M137 HydrophobicContact CB-SD 3.94Å
88T79.4Confident88.8Confident112 Ų11271.5 Ų71.569%0.68736%0.363SS*.G310 helixtrans-60.5-25.4178.946.70000111.4L86 D90 H91L86-T88 PolarHBondContact O-N 3.32Å; T88-D90 VanDerWaalsContact C-N 3.33Å; T88-D90 PolarHBondContact O-N 3.43Å; T88-H91 PolarHBondContact O-CE1 3.47Å; T88-H91 PolarHBondContact O-ND1 3.35Å
89N80.6Confident88.8Confident47 Ų4773.3 Ų73.325%0.25137%0.374SS..G310 helixtrans-80.2-5.4-179.6-63.1-50.7000114.4D87 H91 L92 M137D87-N89 PolarHBondContact O-N 2.86Å; D87-N89 VanDerWaalsContact O-N 3.14Å; D87-N89 WeakPolarHBondContact OD1-CB 3.45Å; D87-N89 PolarHBondContact OD1-N 3.36Å; D87-N89 PolarHBondContact OD1-ND2 3.48Å; N89-H91 PolarHBondContact O-N 3.49Å; N89-H91 VanDerWaalsContact O-N 3.09Å; N89-L92 HydrophobicContact CB-CD1 3.95Å; N89-L92 WeakPolarHBondContact O-CB 3.36Å; N89-L92 WeakPolarHBondContact O-CG 3.45Å; N89-L92 PolarHBondContact O-N 3.26Å; N89-M137 HydrophobicContact CB-CG 4.37Å
90D78.2Confident88.8Confident9 Ų976.6 Ų76.65%0.04839%0.394CS..G310 helixtrans-61.2-23.1-177.7-169.570.9000113.3S33 G34 K35 Y79 L86 D87 T88S33-D90 PolarHBondContact OG-OD1 3.09Å; G34-D90 PolarHBondContact N-OD1 3.09Å; K35-D90 WeakPolarHBondContact CE-O 3.41Å; K35-D90 WeakPolarHBondContact CE-OD2 3.5Å; K35-D90 PolarHBondContact N-OD1 3.36Å; Y79-D90 PolarHBondContact OH-OD2 3.41Å; L86-D90 HydrophobicContact CD1-CB 4.11Å; L86-D90 HydrophobicContact CD2-CB 4.18Å; L86-D90 HydrophobicContact CG-CB 4.05Å; D87-D90 WeakPolarHBondContact O-CB 3.32Å; D87-D90 PolarHBondContact O-N 2.91Å; D87-D90 VanDerWaalsContact O-N 3.12Å; T88-D90 VanDerWaalsContact C-N 3.33Å; T88-D90 PolarHBondContact O-N 3.43Å
91H79.2Confident88.9Confident133 Ų13375.8 Ų75.862%0.61639%0.391SS*.G310 helixtrans-77.7-16.7178.272.7-73.5000114.3T88 N89 F93T88-H91 PolarHBondContact O-CE1 3.47Å; T88-H91 PolarHBondContact O-ND1 3.35Å; N89-H91 PolarHBondContact O-N 3.49Å; N89-H91 VanDerWaalsContact O-N 3.09Å; H91-F93 VanDerWaalsContact C-N 3.26Å; H91-F93 PolarHBondContact O-N 3.12Å
92L79.1Confident88.9Confident80 Ų8071.8 Ų71.842%0.41937%0.374SS..SBendtrans-66.4-31.7-177.7-64.7175.8000111.6N89 F136N89-L92 HydrophobicContact CB-CD1 3.95Å; N89-L92 WeakPolarHBondContact O-CB 3.36Å; N89-L92 WeakPolarHBondContact O-CG 3.45Å; N89-L92 PolarHBondContact O-N 3.26Å; L92-F136 HydrophobicContact CB-CE1 3.94Å; L92-F136 HydrophobicContact CD1-CE1 4Å
93F85Confident89Confident24 Ų2471.7 Ų71.711%0.10538%0.38CS..SBendtrans-92.8115-177.9-158.1-82.8000112.3H91 L95 F98 L132 P133H91-F93 VanDerWaalsContact C-N 3.26Å; H91-F93 PolarHBondContact O-N 3.12Å; F93-L95 PolarHBondContact O-N 3.45Å; F93-F98 HydrophobicContact CD1-CD2 4.21Å; F93-F98 HydrophobicContact CD1-CE2 4.08Å; F93-F98 HydrophobicContact CD2-CE2 4.43Å; F93-F98 AromaticContact CE1-CD2 3.23Å; F93-F98 HydrophobicContact CE1-CD2 3.23Å; F93-F98 AromaticContact CE1-CE2 3.25Å; F93-F98 HydrophobicContact CE1-CE2 3.25Å; F93-F98 AromaticContact CE1-CG 3.94Å; F93-F98 HydrophobicContact CE1-CG 3.94Å; F93-F98 AromaticContact CE1-CZ 3.95Å; F93-F98 HydrophobicContact CE1-CZ 3.95Å; F93-F98 HydrophobicContact CE2-CD2 4.45Å; F93-F98 HydrophobicContact CE2-CE1 4.42Å; F93-F98 AromaticContact CE2-CE2 3.68Å; F93-F98 HydrophobicContact CE2-CE2 3.68Å; F93-F98 AromaticContact CE2-CZ 3.65Å; F93-F98 HydrophobicContact CE2-CZ 3.65Å; F93-F98 HydrophobicContact CZ-CD1 4.09Å; F93-F98 AromaticContact CZ-CD2 3.42Å; F93-F98 HydrophobicContact CZ-CD2 3.42Å; F93-F98 VanDerWaalsContact CZ-CD2 3.42Å; F93-F98 AromaticContact CZ-CE1 3.75Å; F93-F98 HydrophobicContact CZ-CE1 3.75Å; F93-F98 AromaticContact CZ-CE2 3.03Å; F93-F98 HydrophobicContact CZ-CE2 3.03Å; F93-F98 AromaticContact CZ-CG 3.94Å; F93-F98 HydrophobicContact CZ-CG 3.94Å; F93-F98 AromaticContact CZ-CZ 3.22Å; F93-F98 HydrophobicContact CZ-CZ 3.22Å; F93-L132 HydrophobicContact CE2-CB 3.95Å; F93-L132 HydrophobicContact CZ-CB 3.9Å; F93-P133 HydrophobicContact CB-CB 4.14Å; F93-P133 HydrophobicContact CD1-CB 3.91Å; F93-P133 HydrophobicContact CD1-CG 3.58Å; F93-P133 HydrophobicContact CD2-CB 4.04Å; F93-P133 HydrophobicContact CD2-CG 4.23Å; F93-P133 HydrophobicContact CE1-CB 4.27Å; F93-P133 HydrophobicContact CE1-CG 3.51Å; F93-P133 HydrophobicContact CE2-CB 4.38Å; F93-P133 HydrophobicContact CE2-CG 4.16Å; F93-P133 HydrophobicContact CG-CB 3.76Å; F93-P133 HydrophobicContact CG-CG 3.93Å; F93-P133 HydrophobicContact CZ-CB 4.46Å; F93-P133 HydrophobicContact CZ-CG 3.78Å
94R90.4Very high89.2Confident155 Ų15566.9 Ų66.959%0.58537%0.369SS*.  trans-92.996.7-178-69174.7-178.8-118.23.4111.5Y97R94-Y97 HydrophobicContact CB-CD2 3.55Å; R94-Y97 HydrophobicContact CB-CE2 3.84Å; R94-Y97 HydrophobicContact CB-CG 4.22Å; R94-Y97 HydrophobicContact CG-CD2 4.36Å; R94-Y97 HydrophobicContact CG-CE2 4.18Å; R94-Y97 PolarHBondContact O-N 3.06Å; R94-Y97 VanDerWaalsContact O-N 3.15Å
95L90.3Very high89.4Confident24 Ų2465.4 Ų65.413%0.12635%0.345CS..THydrogen-bonded Turntrans-46.1-45.3179.6-76.3172.2000115.7K35 I38 M39 F93 Y97 F98 V99K35-L95 HydrophobicContact CB-CD1 4.3Å; K35-L95 HydrophobicContact CB-CD2 3.89Å; K35-L95 HydrophobicContact CB-CG 4.02Å; K35-L95 HydrophobicContact CD-CD1 3.54Å; K35-L95 HydrophobicContact CD-CG 3.76Å; K35-L95 HydrophobicContact CG-CD1 4.44Å; K35-L95 HydrophobicContact CG-CG 4.24Å; I38-L95 HydrophobicContact CB-CD1 4.23Å; I38-L95 HydrophobicContact CD1-CD1 4.17Å; I38-L95 HydrophobicContact CG2-CD1 3.96Å; M39-L95 HydrophobicContact CG-CD2 3.33Å; M39-L95 HydrophobicContact SD-CD2 3.5Å; M39-L95 WeakPolarHBondContact SD-CD2 3.39Å; F93-L95 PolarHBondContact O-N 3.45Å; L95-Y97 PolarHBondContact O-N 3.09Å; L95-Y97 VanDerWaalsContact O-N 3.16Å; L95-F98 PolarHBondContact O-N 3.14Å; L95-V99 WeakPolarHBondContact O-CG2 3.31Å; L95-V99 PolarHBondContact O-N 3.37Å
96P93.3Very high89.6Confident75 Ų7563.2 Ų63.249%0.48733%0.332SS..Hα-helixtrans-60.7-28.7-175.6-25.636.5000113.7F98 I100P96-F98 PolarHBondContact O-N 3Å; P96-I100 HydrophobicContact CB-CD1 3.94Å; P96-I100 HydrophobicContact CB-CG1 4.48Å; P96-I100 WeakPolarHBondContact O-CB 3.35Å; P96-I100 WeakPolarHBondContact O-CG1 3.41Å; P96-I100 PolarHBondContact O-N 3.48Å
97Y93.2Very high89.8Confident158 Ų15864.1 Ų64.162%0.6234%0.341SS*.Hα-helixtrans-67.4-15.5177.4-64.4-26.2000113.8R94 L95 P101R94-Y97 HydrophobicContact CB-CD2 3.55Å; R94-Y97 HydrophobicContact CB-CE2 3.84Å; R94-Y97 HydrophobicContact CB-CG 4.22Å; R94-Y97 HydrophobicContact CG-CD2 4.36Å; R94-Y97 HydrophobicContact CG-CE2 4.18Å; R94-Y97 PolarHBondContact O-N 3.06Å; R94-Y97 VanDerWaalsContact O-N 3.15Å; L95-Y97 PolarHBondContact O-N 3.09Å; L95-Y97 VanDerWaalsContact O-N 3.16Å; Y97-P101 WeakPolarHBondContact O-CD 3.2Å; Y97-P101 VanDerWaalsContact O-CG 3.3Å; Y97-P101 WeakPolarHBondContact O-CG 3.45Å
98F92.8Very high90.3Very high61 Ų6170.5 Ų70.527%0.26837%0.374SS..Hα-helixtrans-105.1-48.2174.9-63.9-93000110.4M39 F93 L95 P96 I100 P101 I102 L132M39-F98 HydrophobicContact CE-CB 4.22Å; F93-F98 HydrophobicContact CD1-CD2 4.21Å; F93-F98 HydrophobicContact CD1-CE2 4.08Å; F93-F98 HydrophobicContact CD2-CE2 4.43Å; F93-F98 AromaticContact CE1-CD2 3.23Å; F93-F98 HydrophobicContact CE1-CD2 3.23Å; F93-F98 AromaticContact CE1-CE2 3.25Å; F93-F98 HydrophobicContact CE1-CE2 3.25Å; F93-F98 AromaticContact CE1-CG 3.94Å; F93-F98 HydrophobicContact CE1-CG 3.94Å; F93-F98 AromaticContact CE1-CZ 3.95Å; F93-F98 HydrophobicContact CE1-CZ 3.95Å; F93-F98 HydrophobicContact CE2-CD2 4.45Å; F93-F98 HydrophobicContact CE2-CE1 4.42Å; F93-F98 AromaticContact CE2-CE2 3.68Å; F93-F98 HydrophobicContact CE2-CE2 3.68Å; F93-F98 AromaticContact CE2-CZ 3.65Å; F93-F98 HydrophobicContact CE2-CZ 3.65Å; F93-F98 HydrophobicContact CZ-CD1 4.09Å; F93-F98 AromaticContact CZ-CD2 3.42Å; F93-F98 HydrophobicContact CZ-CD2 3.42Å; F93-F98 VanDerWaalsContact CZ-CD2 3.42Å; F93-F98 AromaticContact CZ-CE1 3.75Å; F93-F98 HydrophobicContact CZ-CE1 3.75Å; F93-F98 AromaticContact CZ-CE2 3.03Å; F93-F98 HydrophobicContact CZ-CE2 3.03Å; F93-F98 AromaticContact CZ-CG 3.94Å; F93-F98 HydrophobicContact CZ-CG 3.94Å; F93-F98 AromaticContact CZ-CZ 3.22Å; F93-F98 HydrophobicContact CZ-CZ 3.22Å; L95-F98 PolarHBondContact O-N 3.14Å; P96-F98 PolarHBondContact O-N 3Å; F98-I100 PolarHBondContact O-N 2.59Å; F98-P101 WeakPolarHBondContact O-CD 3.39Å; F98-I102 VanDerWaalsContact O-CB 3.29Å; F98-I102 WeakPolarHBondContact O-CB 3.29Å; F98-I102 VanDerWaalsContact O-CD1 3.28Å; F98-I102 WeakPolarHBondContact O-CD1 3.41Å; F98-I102 WeakPolarHBondContact O-CG1 3.26Å; F98-I102 PolarHBondContact O-N 3.12Å; F98-I102 VanDerWaalsContact O-N 3.16Å; F98-L132 HydrophobicContact CD1-CD1 4.22Å; F98-L132 HydrophobicContact CE1-CD1 3.74Å
99V94.7Very high91Very high37 Ų3768.6 Ų68.622%0.22436%0.362CS..Hα-helixtrans-64.3-42.7-174.7177.50000112.2L42 L95 G103 F122 L126L42-V99 HydrophobicContact CD2-CG1 4.02Å; L42-V99 HydrophobicContact CD2-CG2 4.49Å; L95-V99 WeakPolarHBondContact O-CG2 3.31Å; L95-V99 PolarHBondContact O-N 3.37Å; V99-G103 PolarHBondContact O-N 2.95Å; V99-F122 HydrophobicContact CG1-CE2 4.41Å; V99-F122 HydrophobicContact CG1-CZ 4.13Å; V99-L126 HydrophobicContact CG2-CD1 4.04Å
100I95.5Very high91.6Very high121 Ų12168 Ų6862%0.62136%0.36SS*.Hα-helixtrans-69.2-51.3-176.6-63.2171.6000111.4P96 F98 I102 G103 G104P96-I100 HydrophobicContact CB-CD1 3.94Å; P96-I100 HydrophobicContact CB-CG1 4.48Å; P96-I100 WeakPolarHBondContact O-CB 3.35Å; P96-I100 WeakPolarHBondContact O-CG1 3.41Å; P96-I100 PolarHBondContact O-N 3.48Å; F98-I100 PolarHBondContact O-N 2.59Å; I100-I102 VanDerWaalsContact C-N 3.27Å; I100-I102 PolarHBondContact O-N 3.45Å; I100-G103 PolarHBondContact O-N 2.84Å; I100-G103 VanDerWaalsContact O-N 3.16Å; I100-G104 PolarHBondContact O-N 2.7Å
101P96.4Very high92.1Very high79 Ų7971.9 Ų71.951%0.51338%0.377SS..Hα-helixtrans-60.3-36.2176.9-27.938.6000113.3Y97 F98 G104 L105Y97-P101 WeakPolarHBondContact O-CD 3.2Å; Y97-P101 VanDerWaalsContact O-CG 3.3Å; Y97-P101 WeakPolarHBondContact O-CG 3.45Å; F98-P101 WeakPolarHBondContact O-CD 3.39Å; P101-G104 PolarHBondContact O-N 3.46Å; P101-L105 WeakPolarHBondContact O-CB 3.4Å; P101-L105 PolarHBondContact O-N 3.33Å
102I96.9Very high92.6Very high19 Ų1971.8 Ų71.810%0.09738%0.375CS..Hα-helixtrans-68.4-38176.8-70.4170.1000111.6F98 I100 L105 A106 F122 L126 V129F98-I102 VanDerWaalsContact O-CB 3.29Å; F98-I102 WeakPolarHBondContact O-CB 3.29Å; F98-I102 VanDerWaalsContact O-CD1 3.28Å; F98-I102 WeakPolarHBondContact O-CD1 3.41Å; F98-I102 WeakPolarHBondContact O-CG1 3.26Å; F98-I102 PolarHBondContact O-N 3.12Å; F98-I102 VanDerWaalsContact O-N 3.16Å; I100-I102 VanDerWaalsContact C-N 3.27Å; I100-I102 PolarHBondContact O-N 3.45Å; I102-L105 PolarHBondContact O-N 2.92Å; I102-A106 WeakPolarHBondContact O-CB 3.37Å; I102-A106 PolarHBondContact O-N 3.42Å; I102-F122 HydrophobicContact CB-CE2 4.47Å; I102-F122 HydrophobicContact CG2-CD2 3.78Å; I102-F122 HydrophobicContact CG2-CE2 3.91Å; I102-L126 HydrophobicContact CD1-CD1 4.18Å; I102-L126 HydrophobicContact CG2-CB 4.15Å; I102-V129 HydrophobicContact CD1-CG2 3.29Å
103G96.2Very high93.3Very high22 Ų2276 Ų7623%0.22739%0.39CS..Hα-helixtrans-59.1-46.8170.600000111.8V99 I100 A106 C107V99-G103 PolarHBondContact O-N 2.95Å; I100-G103 PolarHBondContact O-N 2.84Å; I100-G103 VanDerWaalsContact O-N 3.16Å; G103-A106 PolarHBondContact O-N 3.31Å; G103-C107 PolarHBondContact O-N 3.34Å; G103-C107 VanDerWaalsContact O-N 3.15Å; G103-C107 PolarHBondContact O-SG 3.21Å; G103-C107 VanDerWaalsContact O-SG 3.41Å
104G95.7Very high93.7Very high35 Ų3580.3 Ų80.336%0.36141%0.411SS..Hα-helixtrans-59.7-46.117400000112.5I100 P101 A106 C107 L108I100-G104 PolarHBondContact O-N 2.7Å; P101-G104 PolarHBondContact O-N 3.46Å; G104-A106 PolarHBondContact O-N 2.87Å; G104-C107 PolarHBondContact O-N 3.33Å; G104-L108 WeakPolarHBondContact O-CG 3.35Å; G104-L108 PolarHBondContact O-N 3.21Å; G104-L108 VanDerWaalsContact O-N 3.08Å
105L95.8Very high93.9Very high78 Ų7879.6 Ų79.641%0.40842%0.417SS..Hα-helixtrans-60.8-42.6178.2-177.565.3000112P101 I102 C107 L108 V109 Y125P101-L105 WeakPolarHBondContact O-CB 3.4Å; P101-L105 PolarHBondContact O-N 3.33Å; I102-L105 PolarHBondContact O-N 2.92Å; L105-C107 VanDerWaalsContact C-N 3.32Å; L105-C107 PolarHBondContact O-N 2.89Å; L105-L108 PolarHBondContact O-N 3.44Å; L105-V109 HydrophobicContact CD1-CB 4.34Å; L105-V109 HydrophobicContact CD1-CG2 3.9Å; L105-V109 PolarHBondContact O-N 3.48Å; L105-Y125 HydrophobicContact CB-CD2 4.41Å; L105-Y125 HydrophobicContact CD2-CD2 3.84Å; L105-Y125 HydrophobicContact CD2-CE2 3.89Å; L105-Y125 HydrophobicContact CD2-CG 4.3Å; L105-Y125 HydrophobicContact CG-CD2 3.95Å; L105-Y125 HydrophobicContact CG-CE2 3.71Å
106A96.1Very high94.1Very high0 Ų081.1 Ų81.10%043%0.425CS..Hα-helixtrans-65.6-33.4177.700000112.9I102 G103 G104 N110 T121 F122 Y125I102-A106 WeakPolarHBondContact O-CB 3.37Å; I102-A106 PolarHBondContact O-N 3.42Å; G103-A106 PolarHBondContact O-N 3.31Å; G104-A106 PolarHBondContact O-N 2.87Å; A106-N110 WeakPolarHBondContact O-CB 3.45Å; A106-N110 PolarHBondContact O-ND2 2.96Å; A106-T121 HydrophobicContact CB-CG2 4.18Å; A106-F122 HydrophobicContact CB-CB 3.65Å; A106-F122 HydrophobicContact CB-CD2 4.49Å; A106-Y125 HydrophobicContact CB-CD2 4.21Å
107C94.7Very high94.2Very high63 Ų6379.7 Ų79.743%0.42641%0.412SS..Hα-helixtrans-70.7-32.3173.6-69.50000112.8G103 G104 L105 N110G103-C107 PolarHBondContact O-N 3.34Å; G103-C107 VanDerWaalsContact O-N 3.15Å; G103-C107 PolarHBondContact O-SG 3.21Å; G103-C107 VanDerWaalsContact O-SG 3.41Å; G104-C107 PolarHBondContact O-N 3.33Å; L105-C107 VanDerWaalsContact C-N 3.32Å; L105-C107 PolarHBondContact O-N 2.89Å; C107-N110 PolarHBondContact O-ND2 3.37Å
108L94.1Very high94.4Very high148 Ų14873.2 Ų73.278%0.77539%0.389SS*.Hα-helixtrans-85.9-38.8-178.6-66.6173.8000113G104 L105G104-L108 WeakPolarHBondContact O-CG 3.35Å; G104-L108 PolarHBondContact O-N 3.21Å; G104-L108 VanDerWaalsContact O-N 3.08Å; L105-L108 PolarHBondContact O-N 3.44Å
109V93.6Very high94.6Very high72 Ų7272.9 Ų72.944%0.43639%0.389SS..SBendtrans-12293.5-175.6-173.80000107.9L105 T121 Y125L105-V109 HydrophobicContact CD1-CB 4.34Å; L105-V109 HydrophobicContact CD1-CG2 3.9Å; L105-V109 PolarHBondContact O-N 3.48Å; V109-T121 WeakPolarHBondContact O-CG2 3.2Å; V109-Y125 WeakPolarHBondContact CG1-OH 3.38Å; V109-Y125 PolarHBondContact O-OH 3.3Å
110N91.7Very high94.7Very high36 Ų3674.7 Ų74.719%0.19339%0.392CS..  trans-140.7164.3174.351.480.4000109.1A106 C107 K112 F113 V118 T121A106-N110 WeakPolarHBondContact O-CB 3.45Å; A106-N110 PolarHBondContact O-ND2 2.96Å; C107-N110 PolarHBondContact O-ND2 3.37Å; N110-K112 PolarHBondContact OD1-N 3.48Å; N110-K112 PolarHBondContact OD1-O 3.13Å; N110-F113 PolarHBondContact OD1-N 2.89Å; N110-V118 HydrophobicContact CB-CG2 4.39Å; N110-T121 HydrophobicContact CB-CG2 4.42Å
111H89.6Confident94.8Very high89 Ų8969 Ų6941%0.41236%0.363SS..SBendtrans-70.2-39.7175.5-60.4104.9000112.2E117 W120 D177H111-E117 HydrophobicContact CB-CG 4.21Å; H111-E117 IonicContact CE1-OE1 3.29Å; H111-E117 IonicContact CG-OE1 3.62Å; H111-E117 IonicContact ND1-OE1 3.5Å; H111-E117 PolarHBondContact ND1-OE1 3.47Å; H111-W120 AromaticContact CE1-CZ3 3.93Å; H111-D177 IonicContact CE1-OD1 3.51Å; H111-D177 PolarHBondContact CE1-OD1 3.39Å; H111-D177 IonicContact CE1-OD2 3.95Å; H111-D177 PolarHBondContact CE1-OD2 3.14Å; H111-D177 IonicContact NE2-OD1 2.81Å; H111-D177 IonicContact NE2-OD2 3.33Å
112K90.5Very high94.8Very high132 Ų13266.2 Ų66.257%0.57434%0.343SS*.SBendtrans-147.7141.2-179.2-62.3-178.6-178.51770109.7N110 E114 E117N110-K112 PolarHBondContact OD1-N 3.48Å; N110-K112 PolarHBondContact OD1-O 3.13Å; K112-E114 HydrophobicContact CB-CG 4.39Å; K112-E114 PolarHBondContact O-N 3.4Å; K112-E117 HydrophobicContact CB-CG 4.23Å; K112-E117 WeakPolarHBondContact O-CB 3.34Å; K112-E117 WeakPolarHBondContact O-CG 3.28Å
113F92.5Very high94.9Very high168 Ų16865.3 Ų65.374%0.73734%0.338SS*.SBendtrans-79.258.3178.5-159.6-102.9000111.7N110 V118N110-F113 PolarHBondContact OD1-N 2.89Å; F113-V118 HydrophobicContact CD2-CG2 4.45Å
114E94.1Very high94.9Very high115 Ų11565.1 Ų65.154%0.53733%0.332SS..  trans-112.6143.4173.5-67.5177.5-161.200108.9K112 L116 E117 V118K112-E114 HydrophobicContact CB-CG 4.39Å; K112-E114 PolarHBondContact O-N 3.4Å; E114-L116 VanDerWaalsContact C-N 3.29Å; E114-L116 PolarHBondContact O-N 3.08Å; E114-E117 HydrophobicContact CB-CB 4.21Å; E114-E117 PolarHBondContact O-N 3.06Å; E114-E117 VanDerWaalsContact O-N 3.09Å; E114-V118 WeakPolarHBondContact O-CG2 3.34Å; E114-V118 PolarHBondContact O-N 3.04Å
115I94.3Very high95Very high139 Ų13964.7 Ų64.771%0.71332%0.319SS*.Hα-helixtrans-55.9-44.3-173.8-64.6167000111.7L119I115-L119 HydrophobicContact CG2-CD1 3.96Å; I115-L119 HydrophobicContact CG2-CG 4.46Å; I115-L119 WeakPolarHBondContact O-CB 3.48Å; I115-L119 VanDerWaalsContact O-CG 3.25Å; I115-L119 WeakPolarHBondContact O-CG 3.19Å; I115-L119 PolarHBondContact O-N 3.3Å
116L95Very high95.1Very high57 Ų5761 Ų6130%0.29830%0.3SS..Hα-helixtrans-66.2-40.1179.7-64.5175.6000112.3V49 I53 Y54 E114 L119 W120V49-L116 HydrophobicContact CB-CD2 4.25Å; V49-L116 HydrophobicContact CG1-CD2 3.79Å; I53-L116 HydrophobicContact CD1-CD1 3.5Å; I53-L116 VanDerWaalsContact CD1-CD1 3.5Å; I53-L116 HydrophobicContact CD1-CD2 3.96Å; I53-L116 HydrophobicContact CD1-CG 4.29Å; Y54-L116 HydrophobicContact CE2-CD1 4.42Å; E114-L116 VanDerWaalsContact C-N 3.29Å; E114-L116 PolarHBondContact O-N 3.08Å; L116-L119 PolarHBondContact O-N 3.36Å; L116-W120 VanDerWaalsContact O-CB 3.25Å; L116-W120 WeakPolarHBondContact O-CB 3.4Å; L116-W120 PolarHBondContact O-N 2.91Å
117E94.8Very high95.1Very high45 Ų4561.1 Ų61.121%0.2130%0.301CS..Hα-helixtrans-68.6-40.2179.4-175.658.6-149.600111.4H111 K112 E114 W120 T121H111-E117 HydrophobicContact CB-CG 4.21Å; H111-E117 IonicContact CE1-OE1 3.29Å; H111-E117 IonicContact CG-OE1 3.62Å; H111-E117 IonicContact ND1-OE1 3.5Å; H111-E117 PolarHBondContact ND1-OE1 3.47Å; K112-E117 HydrophobicContact CB-CG 4.23Å; K112-E117 WeakPolarHBondContact O-CB 3.34Å; K112-E117 WeakPolarHBondContact O-CG 3.28Å; E114-E117 HydrophobicContact CB-CB 4.21Å; E114-E117 PolarHBondContact O-N 3.06Å; E114-E117 VanDerWaalsContact O-N 3.09Å; E117-W120 PolarHBondContact O-N 2.87Å; E117-T121 VanDerWaalsContact O-CB 3.28Å; E117-T121 WeakPolarHBondContact O-CB 3.35Å; E117-T121 PolarHBondContact O-N 3Å; E117-T121 PolarHBondContact O-OG1 2.89Å
118V97Very high95.1Very high22 Ų2258.5 Ų58.513%0.13328%0.283CS..Hα-helixtrans-64.9-43.9174.8173.80000110.8N110 F113 E114 T121 F122N110-V118 HydrophobicContact CB-CG2 4.39Å; F113-V118 HydrophobicContact CD2-CG2 4.45Å; E114-V118 WeakPolarHBondContact O-CG2 3.34Å; E114-V118 PolarHBondContact O-N 3.04Å; V118-T121 PolarHBondContact O-N 3.07Å; V118-F122 VanDerWaalsContact O-CB 3.23Å; V118-F122 WeakPolarHBondContact O-CB 3.32Å; V118-F122 PolarHBondContact O-N 2.9Å
119L97.1Very high95.2Very high53 Ų5352.5 Ų52.528%0.27725%0.253SS..Hα-helixtrans-64.6-39.9176.2-73.2173.9000112.2T46 V49 I115 L116 S123T46-L119 HydrophobicContact CG2-CD2 4.04Å; V49-L119 HydrophobicContact CG2-CD1 4.17Å; I115-L119 HydrophobicContact CG2-CD1 3.96Å; I115-L119 HydrophobicContact CG2-CG 4.46Å; I115-L119 WeakPolarHBondContact O-CB 3.48Å; I115-L119 VanDerWaalsContact O-CG 3.25Å; I115-L119 WeakPolarHBondContact O-CG 3.19Å; I115-L119 PolarHBondContact O-N 3.3Å; L116-L119 PolarHBondContact O-N 3.36Å; L119-S123 PolarHBondContact O-N 3.35Å
120W97Very high95.3Very high76 Ų7649.1 Ų49.129%0.28823%0.232SC..Hα-helixtrans-64.5-47.5175.8-178.384.3000111.4H111 L116 E117 F122 S123 I124 D177H111-W120 AromaticContact CE1-CZ3 3.93Å; L116-W120 VanDerWaalsContact O-CB 3.25Å; L116-W120 WeakPolarHBondContact O-CB 3.4Å; L116-W120 PolarHBondContact O-N 2.91Å; E117-W120 PolarHBondContact O-N 2.87Å; W120-F122 PolarHBondContact O-N 2.84Å; W120-S123 WeakPolarHBondContact O-CB 3.42Å; W120-S123 PolarHBondContact O-N 3.36Å; W120-S123 VanDerWaalsContact O-N 3.12Å; W120-S123 PolarHBondContact O-OG 3.33Å; W120-I124 HydrophobicContact CD2-CD1 3.93Å; W120-I124 HydrophobicContact CE3-CD1 3.85Å; W120-I124 HydrophobicContact CH2-CD1 3.2Å; W120-I124 HydrophobicContact CZ2-CD1 3.34Å; W120-I124 HydrophobicContact CZ3-CD1 3.49Å; W120-I124 VanDerWaalsContact CZ3-CD1 3.49Å; W120-I124 PolarHBondContact O-N 3.45Å; W120-D177 WeakPolarHBondContact CH2-OD2 3.13Å
121T97.2Very high95.4Very high0 Ų047.4 Ų47.40%022%0.223CC..Hα-helixtrans-59.6-46.9175.5-61.50000111.4A106 V109 N110 E117 V118 S123 I124 Y125 V179A106-T121 HydrophobicContact CB-CG2 4.18Å; V109-T121 WeakPolarHBondContact O-CG2 3.2Å; N110-T121 HydrophobicContact CB-CG2 4.42Å; E117-T121 VanDerWaalsContact O-CB 3.28Å; E117-T121 WeakPolarHBondContact O-CB 3.35Å; E117-T121 PolarHBondContact O-N 3Å; E117-T121 PolarHBondContact O-OG1 2.89Å; V118-T121 PolarHBondContact O-N 3.07Å; T121-S123 VanDerWaalsContact C-N 3.28Å; T121-S123 PolarHBondContact O-N 3.14Å; T121-I124 PolarHBondContact O-N 3.02Å; T121-I124 VanDerWaalsContact O-N 3.09Å; T121-Y125 HydrophobicContact CG2-CD2 4.01Å; T121-Y125 HydrophobicContact CG2-CE2 3.52Å; T121-Y125 PolarHBondContact O-N 3.32Å; T121-Y125 VanDerWaalsContact O-N 3.08Å; T121-V179 HydrophobicContact CG2-CG1 4Å
122F98.1Very high95.5Very high22 Ų2245.1 Ų45.110%0.09621%0.213CC..Hα-helixtrans-55.4-43.5173.7169.2-101000111.8L42 T46 V99 I102 A106 V118 W120 I124 Y125 L126L42-F122 HydrophobicContact CD2-CE1 4.09Å; L42-F122 HydrophobicContact CD2-CZ 3.88Å; L42-F122 HydrophobicContact CG-CE1 3.99Å; L42-F122 HydrophobicContact CG-CZ 4.29Å; T46-F122 HydrophobicContact CG2-CD1 3.82Å; T46-F122 HydrophobicContact CG2-CE1 3.81Å; V99-F122 HydrophobicContact CG1-CE2 4.41Å; V99-F122 HydrophobicContact CG1-CZ 4.13Å; I102-F122 HydrophobicContact CB-CE2 4.47Å; I102-F122 HydrophobicContact CG2-CD2 3.78Å; I102-F122 HydrophobicContact CG2-CE2 3.91Å; A106-F122 HydrophobicContact CB-CB 3.65Å; A106-F122 HydrophobicContact CB-CD2 4.49Å; V118-F122 VanDerWaalsContact O-CB 3.23Å; V118-F122 WeakPolarHBondContact O-CB 3.32Å; V118-F122 PolarHBondContact O-N 2.9Å; W120-F122 PolarHBondContact O-N 2.84Å; F122-I124 VanDerWaalsContact C-N 3.27Å; F122-I124 PolarHBondContact O-N 3.45Å; F122-Y125 PolarHBondContact O-N 3Å; F122-L126 HydrophobicContact CE1-CD2 3.87Å; F122-L126 HydrophobicContact CZ-CB 4.37Å; F122-L126 HydrophobicContact CZ-CD2 3.7Å; F122-L126 HydrophobicContact CZ-CG 4.5Å; F122-L126 VanDerWaalsContact O-CB 3.25Å; F122-L126 WeakPolarHBondContact O-CB 3.32Å; F122-L126 PolarHBondContact O-N 3.24Å
123S97.9Very high95.6Very high0 Ų038.9 Ų38.90%019%0.187CC..Hα-helixtrans-60.6-37.1178.1860000112.4T46 R47 L119 W120 T121 E127T46-S123 WeakPolarHBondContact OG1-CB 3.16Å; R47-S123 WeakPolarHBondContact CB-OG 3.28Å; R47-S123 PolarHBondContact NE-OG 3.01Å; R47-S123 PolarHBondContact NH2-O 3.29Å; R47-S123 VanDerWaalsContact NH2-O 3.17Å; R47-S123 PolarHBondContact NH2-OG 2.87Å; L119-S123 PolarHBondContact O-N 3.35Å; W120-S123 WeakPolarHBondContact O-CB 3.42Å; W120-S123 PolarHBondContact O-N 3.36Å; W120-S123 VanDerWaalsContact O-N 3.12Å; W120-S123 PolarHBondContact O-OG 3.33Å; T121-S123 VanDerWaalsContact C-N 3.28Å; T121-S123 PolarHBondContact O-N 3.14Å; S123-E127 WeakPolarHBondContact O-CB 3.35Å; S123-E127 PolarHBondContact O-N 3.47Å
124I96.7Very high95.6Very high18 Ų1830.9 Ų30.99%0.09215%0.152CC..Hα-helixtrans-70.1-49.6179.8-71.3175.4000110.5W120 T121 F122 E127 S128 V179 A180 A183W120-I124 HydrophobicContact CD2-CD1 3.93Å; W120-I124 HydrophobicContact CE3-CD1 3.85Å; W120-I124 HydrophobicContact CH2-CD1 3.2Å; W120-I124 HydrophobicContact CZ2-CD1 3.34Å; W120-I124 HydrophobicContact CZ3-CD1 3.49Å; W120-I124 VanDerWaalsContact CZ3-CD1 3.49Å; W120-I124 PolarHBondContact O-N 3.45Å; T121-I124 PolarHBondContact O-N 3.02Å; T121-I124 VanDerWaalsContact O-N 3.09Å; F122-I124 VanDerWaalsContact C-N 3.27Å; F122-I124 PolarHBondContact O-N 3.45Å; I124-E127 PolarHBondContact O-N 3.31Å; I124-S128 PolarHBondContact O-N 3.49Å; I124-S128 VanDerWaalsContact O-N 3.14Å; I124-V179 HydrophobicContact CD1-CG1 4.49Å; I124-V179 HydrophobicContact CG2-CG1 4.16Å; I124-A180 HydrophobicContact CD1-CB 4.45Å; I124-A183 HydrophobicContact CG2-CB 3.36Å
125Y97.4Very high95.4Very high25 Ų2527 Ų2710%0.09813%0.134CC..Hα-helixtrans-62.1-45.2177.7-66.5-23000112.1L105 A106 V109 T121 F122 E127 S128 V179 A183L105-Y125 HydrophobicContact CB-CD2 4.41Å; L105-Y125 HydrophobicContact CD2-CD2 3.84Å; L105-Y125 HydrophobicContact CD2-CE2 3.89Å; L105-Y125 HydrophobicContact CD2-CG 4.3Å; L105-Y125 HydrophobicContact CG-CD2 3.95Å; L105-Y125 HydrophobicContact CG-CE2 3.71Å; A106-Y125 HydrophobicContact CB-CD2 4.21Å; V109-Y125 WeakPolarHBondContact CG1-OH 3.38Å; V109-Y125 PolarHBondContact O-OH 3.3Å; T121-Y125 HydrophobicContact CG2-CD2 4.01Å; T121-Y125 HydrophobicContact CG2-CE2 3.52Å; T121-Y125 PolarHBondContact O-N 3.32Å; T121-Y125 VanDerWaalsContact O-N 3.08Å; F122-Y125 PolarHBondContact O-N 3Å; Y125-E127 VanDerWaalsContact C-N 3.32Å; Y125-E127 PolarHBondContact O-N 2.71Å; Y125-S128 PolarHBondContact O-N 2.89Å; Y125-S128 PolarHBondContact O-OG 2.91Å; Y125-V179 HydrophobicContact CD1-CG1 4.31Å; Y125-V179 HydrophobicContact CE1-CG1 3.56Å; Y125-A183 HydrophobicContact CD1-CB 4.2Å
126L97.7Very high95.1Very high0 Ų024.9 Ų24.90%012%0.12CC..Hα-helixtrans-63.4-40.8179-177.465000111.6M39 L42 V43 V99 I102 F122 S128 V129 A130M39-L126 HydrophobicContact CE-CD1 3.47Å; M39-L126 VanDerWaalsContact CE-CD1 3.47Å; M39-L126 HydrophobicContact CE-CG 4.44Å; M39-L126 HydrophobicContact CG-CD1 4.44Å; L42-L126 HydrophobicContact CB-CD2 3.97Å; L42-L126 HydrophobicContact CD2-CD2 3.67Å; L42-L126 HydrophobicContact CG-CD2 3.78Å; V43-L126 HydrophobicContact CG2-CB 3.9Å; V43-L126 HydrophobicContact CG2-CD2 3.79Å; V43-L126 HydrophobicContact CG2-CG 3.75Å; V99-L126 HydrophobicContact CG2-CD1 4.04Å; I102-L126 HydrophobicContact CD1-CD1 4.18Å; I102-L126 HydrophobicContact CG2-CB 4.15Å; F122-L126 HydrophobicContact CE1-CD2 3.87Å; F122-L126 HydrophobicContact CZ-CB 4.37Å; F122-L126 HydrophobicContact CZ-CD2 3.7Å; F122-L126 HydrophobicContact CZ-CG 4.5Å; F122-L126 VanDerWaalsContact O-CB 3.25Å; F122-L126 WeakPolarHBondContact O-CB 3.32Å; F122-L126 PolarHBondContact O-N 3.24Å; L126-S128 VanDerWaalsContact C-N 3.28Å; L126-S128 PolarHBondContact O-N 3.14Å; L126-V129 WeakPolarHBondContact O-CG2 3.28Å; L126-V129 PolarHBondContact O-N 3.22Å; L126-A130 WeakPolarHBondContact O-CB 3.43Å; L126-A130 PolarHBondContact O-N 3.1Å
127E96.9Very high94.8Very high3 Ų322.4 Ų22.41%0.01411%0.107CC..Hα-helixtrans-63.5-35.8179.2-169.6170.4-140.500112.9H12 F40 V43 R47 S123 I124 Y125 V129 A130 Y158 R159 Q187H12-E127 IonicContact CE1-OE1 2.64Å; F40-E127 HydrophobicContact CE1-CG 4.02Å; V43-E127 HydrophobicContact CB-CB 4.48Å; V43-E127 HydrophobicContact CG1-CB 3.82Å; V43-E127 HydrophobicContact CG1-CG 4.11Å; V43-E127 HydrophobicContact CG2-CB 3.8Å; V43-E127 HydrophobicContact CG2-CG 4.49Å; R47-E127 IonicContact CZ-OE2 3.19Å; R47-E127 VanDerWaalsContact NH1-CD 3.3Å; R47-E127 IonicContact NH1-OE1 3.09Å; R47-E127 PolarHBondContact NH1-OE1 2.88Å; R47-E127 IonicContact NH1-OE2 3.51Å; R47-E127 PolarHBondContact NH1-OE2 2.87Å; R47-E127 IonicContact NH2-OE2 3.7Å; R47-E127 PolarHBondContact NH2-OE2 3.34Å; S123-E127 WeakPolarHBondContact O-CB 3.35Å; S123-E127 PolarHBondContact O-N 3.47Å; I124-E127 PolarHBondContact O-N 3.31Å; Y125-E127 VanDerWaalsContact C-N 3.32Å; Y125-E127 PolarHBondContact O-N 2.71Å; E127-V129 PolarHBondContact O-N 3Å; E127-V129 VanDerWaalsContact O-N 3.16Å; E127-A130 PolarHBondContact O-N 2.87Å; E127-Y158 PolarHBondContact OE1-OH 2.94Å; E127-R159 IonicContact OE1-CZ 3.29Å; E127-R159 IonicContact OE1-NH2 2.69Å; E127-R159 PolarHBondContact OE1-NH2 2.95Å; E127-R159 IonicContact OE2-CZ 3.24Å; E127-R159 VanDerWaalsContact OE2-CZ 3.29Å; E127-R159 IonicContact OE2-NH1 2.65Å; E127-R159 IonicContact OE2-NH2 3.62Å; E127-R159 PolarHBondContact OE2-NH2 2.92Å; E127-Q187 PolarHBondContact O-NE2 2.99Å
128S94.9Very high94.4Very high9 Ų920.5 Ų20.56%0.06310%0.098CC..Hα-helixtrans-57.9-30.4179.275.20000112.9I124 Y125 L126 A183 L190I124-S128 PolarHBondContact O-N 3.49Å; I124-S128 VanDerWaalsContact O-N 3.14Å; Y125-S128 PolarHBondContact O-N 2.89Å; Y125-S128 PolarHBondContact O-OG 2.91Å; L126-S128 VanDerWaalsContact C-N 3.28Å; L126-S128 PolarHBondContact O-N 3.14Å; S128-A183 WeakPolarHBondContact CB-O 3.32Å; S128-L190 WeakPolarHBondContact O-CD1 3.49Å
129V95Very high93.8Very high22 Ų2222 Ų2213%0.13311%0.11CC..Hα-helixtrans-111.5-3.9-178.6-59.80000113.9M39 I102 L126 E127 I131 L132M39-V129 HydrophobicContact CE-CG2 3.88Å; I102-V129 HydrophobicContact CD1-CG2 3.29Å; L126-V129 WeakPolarHBondContact O-CG2 3.28Å; L126-V129 PolarHBondContact O-N 3.22Å; E127-V129 PolarHBondContact O-N 3Å; E127-V129 VanDerWaalsContact O-N 3.16Å; V129-I131 PolarHBondContact O-N 2.88Å; V129-L132 HydrophobicContact CB-CD1 3.78Å; V129-L132 HydrophobicContact CB-CG 4.23Å; V129-L132 HydrophobicContact CG1-CD1 4.14Å; V129-L132 WeakPolarHBondContact O-CB 3.43Å; V129-L132 VanDerWaalsContact O-CG 3.32Å; V129-L132 WeakPolarHBondContact O-CG 3.4Å; V129-L132 PolarHBondContact O-N 2.69Å
130A95.9Very high93Very high0 Ų022.2 Ų22.20%012%0.115CC..THydrogen-bonded Turntrans-58.7-24.2-175.400000113.4T36 M39 F40 L126 E127 P133T36-A130 WeakPolarHBondContact CA-O 3.34Å; T36-A130 WeakPolarHBondContact CB-O 3.24Å; T36-A130 VanDerWaalsContact CG2-O 3.26Å; T36-A130 WeakPolarHBondContact CG2-O 3.14Å; T36-A130 PolarHBondContact OG1-O 3.33Å; M39-A130 HydrophobicContact CB-CB 3.73Å; M39-A130 HydrophobicContact CE-CB 4.4Å; F40-A130 HydrophobicContact CD1-CB 4.06Å; F40-A130 HydrophobicContact CD2-CB 4.4Å; F40-A130 HydrophobicContact CE1-CB 3.84Å; F40-A130 HydrophobicContact CE2-CB 4.21Å; F40-A130 HydrophobicContact CG-CB 4.32Å; F40-A130 HydrophobicContact CZ-CB 3.9Å; L126-A130 WeakPolarHBondContact O-CB 3.43Å; L126-A130 PolarHBondContact O-N 3.1Å; E127-A130 PolarHBondContact O-N 2.87Å; A130-P133 WeakPolarHBondContact O-CD 3.46Å
131I93.3Very high92.3Very high0 Ų021.3 Ų21.30%012%0.119CC..THydrogen-bonded Turntrans-80.3-17.6179.3-160.361.6000114.2T36 F40 V129 P133 Q134 L135 L152 L155 Y191T36-I131 HydrophobicContact CG2-CD1 4.23Å; F40-I131 HydrophobicContact CE2-CD1 4.33Å; V129-I131 PolarHBondContact O-N 2.88Å; I131-P133 VanDerWaalsContact C-CD 3.48Å; I131-Q134 HydrophobicContact CD1-CB 4.16Å; I131-Q134 HydrophobicContact CD1-CG 4.46Å; I131-Q134 PolarHBondContact O-N 2.52Å; I131-Q134 VanDerWaalsContact O-N 3.1Å; I131-L135 HydrophobicContact CG1-CD1 4.33Å; I131-L135 HydrophobicContact CG1-CG 4.09Å; I131-L135 HydrophobicContact CG2-CD1 3.92Å; I131-L135 PolarHBondContact O-N 3.29Å; I131-L135 VanDerWaalsContact O-N 3.08Å; I131-L152 HydrophobicContact CD1-CD2 3.56Å; I131-L152 HydrophobicContact CG1-CD2 4.32Å; I131-L155 HydrophobicContact CD1-CD2 3.56Å; I131-Y191 HydrophobicContact CB-CE1 4.46Å; I131-Y191 HydrophobicContact CB-CE2 4.42Å; I131-Y191 WeakPolarHBondContact CB-OH 3.37Å; I131-Y191 HydrophobicContact CD1-CE1 4.25Å; I131-Y191 WeakPolarHBondContact CD1-OH 3.11Å; I131-Y191 HydrophobicContact CG1-CE1 3.71Å; I131-Y191 VanDerWaalsContact CG1-OH 3.28Å; I131-Y191 WeakPolarHBondContact CG1-OH 3.3Å; I131-Y191 HydrophobicContact CG2-CE2 4.08Å
132L92.8Very high91.4Very high41 Ų4121.9 Ų21.922%0.21512%0.124CC..Hα-helixtrans-53.1-45.9-175.6-70.2179.8000114.4F93 F98 V129 Q134 L135 F136 L190F93-L132 HydrophobicContact CE2-CB 3.95Å; F93-L132 HydrophobicContact CZ-CB 3.9Å; F98-L132 HydrophobicContact CD1-CD1 4.22Å; F98-L132 HydrophobicContact CE1-CD1 3.74Å; V129-L132 HydrophobicContact CB-CD1 3.78Å; V129-L132 HydrophobicContact CB-CG 4.23Å; V129-L132 HydrophobicContact CG1-CD1 4.14Å; V129-L132 WeakPolarHBondContact O-CB 3.43Å; V129-L132 VanDerWaalsContact O-CG 3.32Å; V129-L132 WeakPolarHBondContact O-CG 3.4Å; V129-L132 PolarHBondContact O-N 2.69Å; L132-Q134 VanDerWaalsContact C-N 3.3Å; L132-Q134 PolarHBondContact O-N 2.65Å; L132-L135 PolarHBondContact O-N 3.04Å; L132-F136 WeakPolarHBondContact O-CB 3.37Å; L132-F136 PolarHBondContact O-N 3.42Å; L132-L190 HydrophobicContact CD2-CD1 3.7Å; L132-L190 HydrophobicContact CD2-CD2 3.63Å; L132-L190 HydrophobicContact CD2-CG 4.24Å; L132-L190 HydrophobicContact CG-CD1 4.12Å
133P92.9Very high90.2Very high2 Ų226 Ų261%0.01314%0.144CC..Hα-helixtrans-57.4-41.8177.8-15.220000113.2S33 K35 T36 M39 F93 A130 I131 M137S33-P133 VanDerWaalsContact OG-CB 3.24Å; S33-P133 WeakPolarHBondContact OG-CB 3.43Å; K35-P133 HydrophobicContact CB-CB 3.9Å; K35-P133 HydrophobicContact CB-CG 4.02Å; T36-P133 WeakPolarHBondContact OG1-CB 3.36Å; T36-P133 VanDerWaalsContact OG1-CD 3.32Å; T36-P133 WeakPolarHBondContact OG1-CD 3.39Å; T36-P133 VanDerWaalsContact OG1-CG 3.28Å; T36-P133 WeakPolarHBondContact OG1-CG 3.49Å; M39-P133 HydrophobicContact SD-CG 3.85Å; F93-P133 HydrophobicContact CB-CB 4.14Å; F93-P133 HydrophobicContact CD1-CB 3.91Å; F93-P133 HydrophobicContact CD1-CG 3.58Å; F93-P133 HydrophobicContact CD2-CB 4.04Å; F93-P133 HydrophobicContact CD2-CG 4.23Å; F93-P133 HydrophobicContact CE1-CB 4.27Å; F93-P133 HydrophobicContact CE1-CG 3.51Å; F93-P133 HydrophobicContact CE2-CB 4.38Å; F93-P133 HydrophobicContact CE2-CG 4.16Å; F93-P133 HydrophobicContact CG-CB 3.76Å; F93-P133 HydrophobicContact CG-CG 3.93Å; F93-P133 HydrophobicContact CZ-CB 4.46Å; F93-P133 HydrophobicContact CZ-CG 3.78Å; A130-P133 WeakPolarHBondContact O-CD 3.46Å; I131-P133 VanDerWaalsContact C-CD 3.48Å; P133-M137 WeakPolarHBondContact O-CB 3.26Å; P133-M137 PolarHBondContact O-N 3.27Å
134Q92.2Very high89.3Confident0 Ų026.6 Ų26.60%015%0.149CC..Hα-helixtrans-68.6-41.9179.5-177.665.253.900111.9G31 T36 I131 L132 I138 L152G31-Q134 PolarHBondContact O-NE2 3.25Å; G31-Q134 VanDerWaalsContact O-NE2 3.07Å; T36-Q134 HydrophobicContact CG2-CB 4.16Å; T36-Q134 PolarHBondContact OG1-N 3.03Å; T36-Q134 VanDerWaalsContact OG1-N 3.1Å; I131-Q134 HydrophobicContact CD1-CB 4.16Å; I131-Q134 HydrophobicContact CD1-CG 4.46Å; I131-Q134 PolarHBondContact O-N 2.52Å; I131-Q134 VanDerWaalsContact O-N 3.1Å; L132-Q134 VanDerWaalsContact C-N 3.3Å; L132-Q134 PolarHBondContact O-N 2.65Å; Q134-I138 HydrophobicContact CG-CD1 4.3Å; Q134-I138 VanDerWaalsContact O-CG1 3.31Å; Q134-I138 WeakPolarHBondContact O-CG1 3.46Å; Q134-I138 PolarHBondContact O-N 3.46Å; Q134-I138 VanDerWaalsContact O-N 3.13Å; Q134-L152 HydrophobicContact CG-CD1 4.29Å; Q134-L152 HydrophobicContact CG-CD2 3.86Å
135L89.9Confident88.7Confident32 Ų3229.8 Ų29.817%0.16816%0.163CC..Hα-helixtrans-64.6-44.4175.4-66.5176.7000111.4I131 L132 M137 I138 S139 L190 F194I131-L135 HydrophobicContact CG1-CD1 4.33Å; I131-L135 HydrophobicContact CG1-CG 4.09Å; I131-L135 HydrophobicContact CG2-CD1 3.92Å; I131-L135 PolarHBondContact O-N 3.29Å; I131-L135 VanDerWaalsContact O-N 3.08Å; L132-L135 PolarHBondContact O-N 3.04Å; L135-M137 PolarHBondContact O-N 3.1Å; L135-I138 PolarHBondContact O-N 2.86Å; L135-S139 PolarHBondContact O-N 3.24Å; L135-L190 HydrophobicContact CD1-CB 4.47Å; L135-L190 WeakPolarHBondContact CD1-O 3.28Å; L135-F194 HydrophobicContact CD2-CB 4.17Å; L135-F194 HydrophobicContact CD2-CD2 4.34Å; L135-F194 HydrophobicContact CD2-CG 4.41Å
136F88.5Confident88Confident96 Ų9632 Ų3242%0.42118%0.18SC..Hα-helixtrans-59.4-47.4177.7-178.4-98.2000111.3L92 L132 I138 S139 S140L92-F136 HydrophobicContact CB-CE1 3.94Å; L92-F136 HydrophobicContact CD1-CE1 4Å; L132-F136 WeakPolarHBondContact O-CB 3.37Å; L132-F136 PolarHBondContact O-N 3.42Å; F136-I138 PolarHBondContact O-N 3Å; F136-S139 WeakPolarHBondContact CA-OG 3.44Å; F136-S139 PolarHBondContact O-N 2.99Å; F136-S139 VanDerWaalsContact O-N 3.12Å; F136-S139 PolarHBondContact O-OG 3.3Å; F136-S140 PolarHBondContact O-N 3.2Å; F136-S140 PolarHBondContact O-OG 3.38Å; F136-S140 VanDerWaalsContact O-OG 3.09Å
137M87.8Confident87.3Confident4 Ų436.1 Ų36.12%0.0220%0.201CC..Hα-helixtrans-61.4-42.1178.6-179.8-171.562.800112.2G31 L32 S33 D87 N89 P133 L135 S139 S140 T141G31-M137 WeakPolarHBondContact O-CE 3.44Å; L32-M137 VanDerWaalsContact C-CE 3.44Å; S33-M137 VanDerWaalsContact N-CE 3.29Å; D87-M137 HydrophobicContact CB-SD 3.94Å; N89-M137 HydrophobicContact CB-CG 4.37Å; P133-M137 WeakPolarHBondContact O-CB 3.26Å; P133-M137 PolarHBondContact O-N 3.27Å; L135-M137 PolarHBondContact O-N 3.1Å; M137-S139 VanDerWaalsContact C-N 3.3Å; M137-S139 PolarHBondContact O-N 3.25Å; M137-S140 PolarHBondContact O-N 3.5Å; M137-T141 WeakPolarHBondContact O-CG2 3.37Å; M137-T141 PolarHBondContact O-N 3.01Å; M137-T141 PolarHBondContact O-OG1 3.41Å
138I86.7Confident86.9Confident5 Ų536.1 Ų36.13%0.02620%0.201CC..Hα-helixtrans-64.2-38.1175.8-64.9167.5000110.7Q134 L135 F136 S140 T141 G142 A144 L152 L208 L210Q134-I138 HydrophobicContact CG-CD1 4.3Å; Q134-I138 VanDerWaalsContact O-CG1 3.31Å; Q134-I138 WeakPolarHBondContact O-CG1 3.46Å; Q134-I138 PolarHBondContact O-N 3.46Å; Q134-I138 VanDerWaalsContact O-N 3.13Å; L135-I138 PolarHBondContact O-N 2.86Å; F136-I138 PolarHBondContact O-N 3Å; I138-S140 VanDerWaalsContact C-N 3.34Å; I138-T141 PolarHBondContact O-N 3.47Å; I138-T141 PolarHBondContact O-OG1 2.95Å; I138-G142 PolarHBondContact O-N 2.92Å; I138-A144 HydrophobicContact CD1-CB 4.11Å; I138-A144 HydrophobicContact CG1-CB 4.17Å; I138-A144 HydrophobicContact CG2-CB 3.79Å; I138-L152 HydrophobicContact CD1-CD1 3.3Å; I138-L208 HydrophobicContact CG2-CD2 3.83Å; I138-L210 HydrophobicContact CB-CD1 4.26Å; I138-L210 HydrophobicContact CG2-CD1 3.64Å; I138-L210 HydrophobicContact CG2-CG 4.39Å
139S84Confident86.6Confident54 Ų5435.7 Ų35.738%0.37820%0.198SC..Hα-helixtrans-65.1-36.3175.374.20000113L135 F136 M137L135-S139 PolarHBondContact O-N 3.24Å; F136-S139 WeakPolarHBondContact CA-OG 3.44Å; F136-S139 PolarHBondContact O-N 2.99Å; F136-S139 VanDerWaalsContact O-N 3.12Å; F136-S139 PolarHBondContact O-OG 3.3Å; M137-S139 VanDerWaalsContact C-N 3.3Å; M137-S139 PolarHBondContact O-N 3.25Å
140S81.2Confident86.5Confident57 Ų5738.2 Ų38.240%0.39921%0.208SC..Hα-helixtrans-74.3-35.2177.9-57.40000112.8F136 M137 I138 G142F136-S140 PolarHBondContact O-N 3.2Å; F136-S140 PolarHBondContact O-OG 3.38Å; F136-S140 VanDerWaalsContact O-OG 3.09Å; M137-S140 PolarHBondContact O-N 3.5Å; I138-S140 VanDerWaalsContact C-N 3.34Å; S140-G142 VanDerWaalsContact C-N 3.34Å
141T81.6Confident86.4Confident58 Ų5838.3 Ų38.336%0.35621%0.208SC..Hα-helixtrans-80-19.2177.255.60000112.8M137 I138 E143M137-T141 WeakPolarHBondContact O-CG2 3.37Å; M137-T141 PolarHBondContact O-N 3.01Å; M137-T141 PolarHBondContact O-OG1 3.41Å; I138-T141 PolarHBondContact O-N 3.47Å; I138-T141 PolarHBondContact O-OG1 2.95Å; T141-E143 PolarHBondContact O-N 3.03Å; T141-E143 VanDerWaalsContact O-N 3.09Å; T141-E143 PolarHBondContact OG1-O 3.43Å
142G77.1Confident86.3Confident11 Ų1138.3 Ų38.311%0.11321%0.208CC..SBendtrans71.9-8.8-175.800000114I138 S140 I209 L210I138-G142 PolarHBondContact O-N 2.92Å; S140-G142 VanDerWaalsContact C-N 3.34Å; G142-I209 CarbonylContact O-C 3.49Å; G142-I209 WeakPolarHBondContact O-CA 3.45Å; G142-I209 WeakPolarHBondContact O-CG2 3.45Å; G142-L210 PolarHBondContact O-N 3.08Å
143E74.6Confident86.3Confident110 Ų11039.3 Ų39.351%0.51421%0.211SC..EExtended strand (participates in β ladder)trans-138.9143.4-176.4-65.4-175.7177.900111.8T141 L208 I209T141-E143 PolarHBondContact O-N 3.03Å; T141-E143 VanDerWaalsContact O-N 3.09Å; T141-E143 PolarHBondContact OG1-O 3.43Å; E143-L208 CarbonylContact C-O 3.57Å; E143-L208 WeakPolarHBondContact CA-O 3.33Å; E143-I209 HydrophobicContact CG-CG1 4.35Å
144A78.2Confident86.4Confident12 Ų1239.7 Ų39.710%0.09922%0.215CC..EExtended strand (participates in β ladder)trans-121.1139.1166.200000112.3I138 L208I138-A144 HydrophobicContact CD1-CB 4.11Å; I138-A144 HydrophobicContact CG1-CB 4.17Å; I138-A144 HydrophobicContact CG2-CB 3.79Å; A144-L208 HydrophobicContact CB-CB 4.21Å; A144-L208 HydrophobicContact CB-CD2 3.85Å; A144-L208 PolarHBondContact N-O 2.94Å
145E83.3Confident86.4Confident84 Ų8439.8 Ų39.839%0.39322%0.215SC..  trans-59.5139169.2-62.7178.8163.200110.8K22 I147 T148 A149K22-E145 WeakPolarHBondContact CE-OE2 3.25Å; K22-E145 IonicContact NZ-OE2 2.83Å; K22-E145 PolarHBondContact NZ-OE2 3.43Å; E145-I147 PolarHBondContact O-N 3.4Å; E145-I147 VanDerWaalsContact O-N 3.17Å; E145-T148 WeakPolarHBondContact O-CA 3.42Å; E145-T148 WeakPolarHBondContact O-CB 3.38Å; E145-T148 PolarHBondContact O-N 2.98Å; E145-A149 PolarHBondContact O-N 3.01Å
146T83.2Confident86.6Confident73 Ų7338.3 Ų38.345%0.44821%0.208SC..Hα-helixtrans-53.9-40-177.9-49.50000112.8A149 H150 V202T146-A149 WeakPolarHBondContact O-CB 3.25Å; T146-A149 PolarHBondContact O-N 3.34Å; T146-H150 PolarHBondContact O-CD2 3.44Å; T146-H150 PolarHBondContact O-N 2.84Å; T146-V202 HydrophobicContact CG2-CG1 4.14Å
147I84.2Confident86.8Confident86 Ų8635 Ų3544%0.44120%0.196SC..Hα-helixtrans-67.1-40.7179.2-56.2176.7000111I18 K22 E145 A149 H150 Y151I18-I147 HydrophobicContact CG2-CG2 4.11Å; K22-I147 HydrophobicContact CB-CG2 3.62Å; K22-I147 HydrophobicContact CG-CB 4.12Å; K22-I147 HydrophobicContact CG-CG2 3.7Å; E145-I147 PolarHBondContact O-N 3.4Å; E145-I147 VanDerWaalsContact O-N 3.17Å; I147-A149 VanDerWaalsContact C-N 3.27Å; I147-A149 PolarHBondContact O-N 3.19Å; I147-H150 PolarHBondContact O-N 2.92Å; I147-Y151 PolarHBondContact O-N 2.93Å
148T87.3Confident87Confident3 Ų334.8 Ų34.82%0.01820%0.195CC..Hα-helixtrans-62.1-38.1173.8-58.70000110.7L32 E145 Y151 L152L32-T148 HydrophobicContact CD2-CG2 3.86Å; E145-T148 WeakPolarHBondContact O-CA 3.42Å; E145-T148 WeakPolarHBondContact O-CB 3.38Å; E145-T148 PolarHBondContact O-N 2.98Å; T148-Y151 HydrophobicContact CG2-CD1 4.38Å; T148-Y151 WeakPolarHBondContact O-CB 3.45Å; T148-Y151 PolarHBondContact O-N 3.46Å; T148-L152 HydrophobicContact CG2-CD1 4.29Å; T148-L152 WeakPolarHBondContact O-CG 3.45Å; T148-L152 PolarHBondContact O-N 3.2Å
149A89.5Confident87.2Confident0 Ų035.3 Ų35.30%020%0.197CC..Hα-helixtrans-64.1-40.5175.700000112.4E145 T146 I147 L152 F153 F194 Y198 V202 L208E145-A149 PolarHBondContact O-N 3.01Å; T146-A149 WeakPolarHBondContact O-CB 3.25Å; T146-A149 PolarHBondContact O-N 3.34Å; I147-A149 VanDerWaalsContact C-N 3.27Å; I147-A149 PolarHBondContact O-N 3.19Å; A149-L152 PolarHBondContact O-N 3.02Å; A149-F153 WeakPolarHBondContact O-CB 3.37Å; A149-F153 PolarHBondContact O-N 3.12Å; A149-F194 HydrophobicContact CB-CZ 4.37Å; A149-Y198 HydrophobicContact CB-CD2 4.06Å; A149-Y198 HydrophobicContact CB-CE2 4.29Å; A149-V202 HydrophobicContact CB-CG1 4.31Å; A149-V202 HydrophobicContact CB-CG2 4.04Å; A149-L208 HydrophobicContact CB-CD1 4.32Å
150H92.1Very high87.5Confident74 Ų7435 Ų3534%0.34320%0.197SC..Hα-helixtrans-65-40.2173.8-68.6-52.4000113T146 I147 F153 A154 Y198T146-H150 PolarHBondContact O-CD2 3.44Å; T146-H150 PolarHBondContact O-N 2.84Å; I147-H150 PolarHBondContact O-N 2.92Å; H150-F153 PolarHBondContact O-N 3.3Å; H150-A154 PolarHBondContact O-N 2.77Å; H150-Y198 PolarHBondContact CE1-OH 3.15Å; H150-Y198 AromaticContact ND1-CE2 3.69Å; H150-Y198 AromaticContact ND1-CZ 3.68Å; H150-Y198 PolarHBondContact ND1-OH 3.45Å
151Y93.5Very high88Confident2 Ų234.5 Ų34.51%0.00819%0.19CC..Hα-helixtrans-56.6-52.4172.1147.1-112.6000110.9A15 L19 Q37 I147 T148 F153 A154 L155A15-Y151 HydrophobicContact CB-CD2 4.11Å; A15-Y151 HydrophobicContact CB-CE2 4.45Å; A15-Y151 WeakPolarHBondContact O-CD2 3.4Å; L19-Y151 HydrophobicContact CB-CD2 3.92Å; L19-Y151 HydrophobicContact CB-CE2 4.28Å; L19-Y151 HydrophobicContact CB-CG 4.27Å; L19-Y151 HydrophobicContact CD1-CD1 4.24Å; L19-Y151 HydrophobicContact CD1-CE1 4.35Å; L19-Y151 HydrophobicContact CD1-CG 4.35Å; L19-Y151 HydrophobicContact CD2-CD2 4.44Å; L19-Y151 HydrophobicContact CD2-CE2 3.99Å; Q37-Y151 PolarHBondContact NE2-OH 3.45Å; Q37-Y151 VanDerWaalsContact NE2-OH 3.09Å; I147-Y151 PolarHBondContact O-N 2.93Å; T148-Y151 HydrophobicContact CG2-CD1 4.38Å; T148-Y151 WeakPolarHBondContact O-CB 3.45Å; T148-Y151 PolarHBondContact O-N 3.46Å; Y151-F153 VanDerWaalsContact C-N 3.3Å; Y151-F153 PolarHBondContact O-N 3.35Å; Y151-A154 PolarHBondContact O-N 3.19Å; Y151-L155 HydrophobicContact CE2-CB 4.31Å; Y151-L155 HydrophobicContact CE2-CD1 4.4Å; Y151-L155 HydrophobicContact CE2-CD2 3.87Å; Y151-L155 HydrophobicContact CE2-CG 4.45Å; Y151-L155 WeakPolarHBondContact O-CB 3.34Å; Y151-L155 PolarHBondContact O-N 3.27Å; Y151-L155 WeakPolarHBondContact OH-CD2 3.41Å
152L92.5Very high88.5Confident0 Ų033.2 Ų33.20%018%0.179CC..Hα-helixtrans-63.3-36.5-179.4-74.7175.9000112.4I131 Q134 I138 T148 A149 L155 G156 F194I131-L152 HydrophobicContact CD1-CD2 3.56Å; I131-L152 HydrophobicContact CG1-CD2 4.32Å; Q134-L152 HydrophobicContact CG-CD1 4.29Å; Q134-L152 HydrophobicContact CG-CD2 3.86Å; I138-L152 HydrophobicContact CD1-CD1 3.3Å; T148-L152 HydrophobicContact CG2-CD1 4.29Å; T148-L152 WeakPolarHBondContact O-CG 3.45Å; T148-L152 PolarHBondContact O-N 3.2Å; A149-L152 PolarHBondContact O-N 3.02Å; L152-L155 CarbonylContact O-C 3.55Å; L152-L155 PolarHBondContact O-N 2.92Å; L152-G156 PolarHBondContact O-N 3.47Å; L152-F194 HydrophobicContact CB-CD1 4.19Å; L152-F194 HydrophobicContact CB-CE1 3.41Å; L152-F194 VanDerWaalsContact CB-CE1 3.41Å; L152-F194 HydrophobicContact CB-CE2 3.84Å; L152-F194 HydrophobicContact CB-CZ 3.22Å; L152-F194 HydrophobicContact CD1-CD2 4.07Å; L152-F194 HydrophobicContact CD1-CE2 3.45Å; L152-F194 VanDerWaalsContact CD1-CE2 3.45Å; L152-F194 HydrophobicContact CD1-CZ 3.76Å; L152-F194 HydrophobicContact CG-CE2 4.29Å; L152-F194 HydrophobicContact CG-CZ 4.13Å
153F92.6Very high89.1Confident62 Ų6234.8 Ų34.827%0.27219%0.185SC..Hα-helixtrans-65.7-44.6174.8179-97.4000112.1A149 H150 Y151 L155 G156 S157 F194 F195 Y198A149-F153 WeakPolarHBondContact O-CB 3.37Å; A149-F153 PolarHBondContact O-N 3.12Å; H150-F153 PolarHBondContact O-N 3.3Å; Y151-F153 VanDerWaalsContact C-N 3.3Å; Y151-F153 PolarHBondContact O-N 3.35Å; F153-L155 VanDerWaalsContact C-N 3.27Å; F153-L155 PolarHBondContact O-N 3.41Å; F153-G156 PolarHBondContact O-N 2.94Å; F153-S157 VanDerWaalsContact O-CB 3.28Å; F153-S157 WeakPolarHBondContact O-CB 3.42Å; F153-S157 PolarHBondContact O-N 3.37Å; F153-S157 PolarHBondContact O-OG 3.48Å; F153-F194 HydrophobicContact CB-CE1 4.45Å; F153-F195 AromaticContact CD2-CD1 3.59Å; F153-F195 HydrophobicContact CD2-CD1 3.59Å; F153-F195 AromaticContact CD2-CE1 3.39Å; F153-F195 HydrophobicContact CD2-CE1 3.39Å; F153-F195 AromaticContact CE2-CD1 3.63Å; F153-F195 HydrophobicContact CE2-CD1 3.63Å; F153-F195 AromaticContact CE2-CE1 3.41Å; F153-F195 HydrophobicContact CE2-CE1 3.41Å; F153-F195 VanDerWaalsContact CE2-CE1 3.41Å; F153-F195 HydrophobicContact CG-CE1 4.31Å; F153-F195 HydrophobicContact CZ-CE1 4.33Å; F153-Y198 HydrophobicContact CB-CD1 4.19Å; F153-Y198 HydrophobicContact CB-CD2 3.87Å; F153-Y198 HydrophobicContact CB-CE1 3.96Å; F153-Y198 HydrophobicContact CB-CE2 3.63Å; F153-Y198 HydrophobicContact CB-CG 4.13Å; F153-Y198 AromaticContact CD1-CE1 3.89Å; F153-Y198 HydrophobicContact CD1-CE1 3.89Å; F153-Y198 AromaticContact CD1-CZ 3.93Å; F153-Y198 AromaticContact CD2-CD1 3.18Å; F153-Y198 HydrophobicContact CD2-CD1 3.18Å; F153-Y198 HydrophobicContact CD2-CD2 4.36Å; F153-Y198 AromaticContact CD2-CE1 3.22Å; F153-Y198 HydrophobicContact CD2-CE1 3.22Å; F153-Y198 HydrophobicContact CD2-CE2 4.4Å; F153-Y198 AromaticContact CD2-CG 3.78Å; F153-Y198 HydrophobicContact CD2-CG 3.78Å; F153-Y198 AromaticContact CD2-CZ 3.86Å; F153-Y198 HydrophobicContact CE1-CE1 4.19Å; F153-Y198 AromaticContact CE2-CD1 3.62Å; F153-Y198 HydrophobicContact CE2-CD1 3.62Å; F153-Y198 AromaticContact CE2-CE1 3.56Å; F153-Y198 HydrophobicContact CE2-CE1 3.56Å; F153-Y198 AromaticContact CG-CD1 3.77Å; F153-Y198 HydrophobicContact CG-CD1 3.77Å; F153-Y198 HydrophobicContact CG-CD2 4.34Å; F153-Y198 AromaticContact CG-CE1 3.39Å; F153-Y198 HydrophobicContact CG-CE1 3.39Å; F153-Y198 HydrophobicContact CG-CE2 4.03Å; F153-Y198 HydrophobicContact CG-CG 4.21Å; F153-Y198 AromaticContact CG-CZ 3.53Å; F153-Y198 HydrophobicContact CZ-CE1 4.04Å
154A93.7Very high89.9Confident11 Ų1132.5 Ų32.59%0.09118%0.178CC..Hα-helixtrans-63.1-36.9174.400000111.5S11 A15 I18 H150 Y151 S157 Y158S11-A154 PolarHBondContact OG-O 3.5Å; A15-A154 HydrophobicContact CB-CB 3.79Å; I18-A154 HydrophobicContact CD1-CB 4.25Å; H150-A154 PolarHBondContact O-N 2.77Å; Y151-A154 PolarHBondContact O-N 3.19Å; A154-S157 PolarHBondContact O-N 3.37Å; A154-Y158 PolarHBondContact O-N 3.19Å; A154-Y158 VanDerWaalsContact O-N 3.12Å
155L93.8Very high90.5Very high2 Ų232.1 Ų32.11%0.0117%0.174CC..Hα-helixtrans-70.4-32.7175.4-162.773.1000112.7A15 F40 I131 Y151 L152 F153 Y158 Y191A15-L155 HydrophobicContact CB-CB 4.1Å; A15-L155 HydrophobicContact CB-CD1 4.09Å; F40-L155 HydrophobicContact CE2-CD2 3.83Å; F40-L155 HydrophobicContact CZ-CD1 4.38Å; F40-L155 HydrophobicContact CZ-CD2 3.77Å; F40-L155 HydrophobicContact CZ-CG 4.44Å; I131-L155 HydrophobicContact CD1-CD2 3.56Å; Y151-L155 HydrophobicContact CE2-CB 4.31Å; Y151-L155 HydrophobicContact CE2-CD1 4.4Å; Y151-L155 HydrophobicContact CE2-CD2 3.87Å; Y151-L155 HydrophobicContact CE2-CG 4.45Å; Y151-L155 WeakPolarHBondContact O-CB 3.34Å; Y151-L155 PolarHBondContact O-N 3.27Å; Y151-L155 WeakPolarHBondContact OH-CD2 3.41Å; L152-L155 CarbonylContact O-C 3.55Å; L152-L155 PolarHBondContact O-N 2.92Å; F153-L155 VanDerWaalsContact C-N 3.27Å; F153-L155 PolarHBondContact O-N 3.41Å; L155-Y158 VanDerWaalsContact C-CD1 3.42Å; L155-Y158 HydrophobicContact CB-CE1 4.4Å; L155-Y158 HydrophobicContact CD1-CD1 4.07Å; L155-Y158 HydrophobicContact CD1-CE1 3.41Å; L155-Y158 VanDerWaalsContact CD1-CE1 3.41Å; L155-Y158 HydrophobicContact CG-CD1 4.36Å; L155-Y158 HydrophobicContact CG-CE1 3.75Å; L155-Y158 WeakPolarHBondContact O-CD1 3.24Å; L155-Y158 WeakPolarHBondContact O-CE1 3.46Å; L155-Y191 WeakPolarHBondContact CD2-OH 3.23Å; L155-Y191 WeakPolarHBondContact CG-OH 3.25Å
156G92.7Very high90.7Very high1 Ų130.5 Ų30.51%0.0117%0.165CC..Hα-helixtrans-72.7-39.9169.700000111.3L152 F153 Y158 R159 A160 F195L152-G156 PolarHBondContact O-N 3.47Å; F153-G156 PolarHBondContact O-N 2.94Å; G156-Y158 PolarHBondContact O-N 3.25Å; G156-R159 WeakPolarHBondContact O-CB 3.4Å; G156-R159 PolarHBondContact O-N 3.03Å; G156-A160 PolarHBondContact O-N 3.39Å; G156-A160 VanDerWaalsContact O-N 3.11Å; G156-F195 VanDerWaalsContact CA-CE2 3.47Å; G156-F195 VanDerWaalsContact CA-CZ 3.41Å
157S92.4Very high91.1Very high26 Ų2631.2 Ų31.218%0.18217%0.165CC..Hα-helixtrans-67.5-39.3-170.2-64.70000111.5F153 A154 R159 A160 L161F153-S157 VanDerWaalsContact O-CB 3.28Å; F153-S157 WeakPolarHBondContact O-CB 3.42Å; F153-S157 PolarHBondContact O-N 3.37Å; F153-S157 PolarHBondContact O-OG 3.48Å; A154-S157 PolarHBondContact O-N 3.37Å; S157-R159 PolarHBondContact O-N 3.24Å; S157-A160 PolarHBondContact O-N 2.89Å; S157-L161 WeakPolarHBondContact O-CG 3.46Å; S157-L161 PolarHBondContact O-N 2.83Å
158Y93.9Very high91.4Very high0 Ų031.6 Ų31.60%016%0.161CC..Hα-helixtrans-62-32.3175.195.3-91.4000111.8G8 S11 H12 E127 A154 L155 G156 L161 Y162G8-Y158 VanDerWaalsContact O-CB 3.31Å; G8-Y158 WeakPolarHBondContact O-CB 3.3Å; S11-Y158 PolarHBondContact OG-N 3.07Å; H12-Y158 HydrophobicContact CB-CD1 4.15Å; H12-Y158 HydrophobicContact CB-CD2 3.71Å; H12-Y158 HydrophobicContact CB-CE2 4.07Å; H12-Y158 HydrophobicContact CB-CG 3.73Å; H12-Y158 AromaticContact CD2-CE1 3.89Å; H12-Y158 AromaticContact CD2-CZ 3.91Å; H12-Y158 AromaticContact CE1-CE2 3.51Å; H12-Y158 AromaticContact CE1-CZ 3.34Å; H12-Y158 PolarHBondContact CE1-OH 2.93Å; H12-Y158 VanDerWaalsContact CE1-OH 3.25Å; H12-Y158 AromaticContact CG-CD2 3.83Å; H12-Y158 AromaticContact CG-CE2 3.64Å; H12-Y158 AromaticContact CG-CZ 3.83Å; H12-Y158 AromaticContact ND1-CD2 3.76Å; H12-Y158 AromaticContact ND1-CE2 3.19Å; H12-Y158 WeakPolarHBondContact ND1-CE2 3.36Å; H12-Y158 AromaticContact ND1-CZ 3.51Å; H12-Y158 AromaticContact NE2-CE1 3.9Å; H12-Y158 AromaticContact NE2-CZ 3.62Å; E127-Y158 PolarHBondContact OE1-OH 2.94Å; A154-Y158 PolarHBondContact O-N 3.19Å; A154-Y158 VanDerWaalsContact O-N 3.12Å; L155-Y158 VanDerWaalsContact C-CD1 3.42Å; L155-Y158 HydrophobicContact CB-CE1 4.4Å; L155-Y158 HydrophobicContact CD1-CD1 4.07Å; L155-Y158 HydrophobicContact CD1-CE1 3.41Å; L155-Y158 VanDerWaalsContact CD1-CE1 3.41Å; L155-Y158 HydrophobicContact CG-CD1 4.36Å; L155-Y158 HydrophobicContact CG-CE1 3.75Å; L155-Y158 WeakPolarHBondContact O-CD1 3.24Å; L155-Y158 WeakPolarHBondContact O-CE1 3.46Å; G156-Y158 PolarHBondContact O-N 3.25Å; Y158-L161 PolarHBondContact O-N 2.64Å; Y158-Y162 AromaticContact CD2-CD2 3.81Å; Y158-Y162 HydrophobicContact CD2-CD2 3.81Å; Y158-Y162 HydrophobicContact CD2-CE2 4.13Å; Y158-Y162 HydrophobicContact CE2-CD2 4.42Å; Y158-Y162 WeakPolarHBondContact O-CD2 3.44Å; Y158-Y162 PolarHBondContact O-N 3.14Å
159R90.2Very high91.5Very high15 Ų1534.8 Ų34.86%0.05717%0.173CC..Hα-helixtrans-70.6-43.3177-73-69.7151.5-158.4-7.6112.9E127 G156 S157 L161 Y162 L163 Q187E127-R159 IonicContact OE1-CZ 3.29Å; E127-R159 IonicContact OE1-NH2 2.69Å; E127-R159 PolarHBondContact OE1-NH2 2.95Å; E127-R159 IonicContact OE2-CZ 3.24Å; E127-R159 VanDerWaalsContact OE2-CZ 3.29Å; E127-R159 IonicContact OE2-NH1 2.65Å; E127-R159 IonicContact OE2-NH2 3.62Å; E127-R159 PolarHBondContact OE2-NH2 2.92Å; G156-R159 WeakPolarHBondContact O-CB 3.4Å; G156-R159 PolarHBondContact O-N 3.03Å; S157-R159 PolarHBondContact O-N 3.24Å; R159-L161 PolarHBondContact O-N 2.71Å; R159-Y162 PolarHBondContact O-N 3.36Å; R159-Y162 VanDerWaalsContact O-N 3.14Å; R159-L163 PolarHBondContact O-N 2.94Å; R159-Q187 VanDerWaalsContact CD-CD 3.48Å; R159-Q187 HydrophobicContact CG-CG 4.41Å
160A90.3Very high91.6Very high47 Ų4740.3 Ų40.339%0.38820%0.195SC..Hα-helixtrans-56.2-43171.400000111.2G156 S157 Y162 L163 V164G156-A160 PolarHBondContact O-N 3.39Å; G156-A160 VanDerWaalsContact O-N 3.11Å; S157-A160 PolarHBondContact O-N 2.89Å; A160-Y162 PolarHBondContact O-N 2.86Å; A160-L163 PolarHBondContact O-N 3.5Å; A160-V164 WeakPolarHBondContact O-CG2 3.38Å; A160-V164 PolarHBondContact O-N 3.39Å
161L92.2Very high91.5Very high47 Ų4745.4 Ų45.425%0.24621%0.212CC..Hα-helixtrans-64.5-38.9176.3-69.5165.5000112.8L7 S157 Y158 R159 V164 N165L7-L161 HydrophobicContact CB-CD1 3.95Å; L7-L161 HydrophobicContact CB-CD2 4.25Å; S157-L161 WeakPolarHBondContact O-CG 3.46Å; S157-L161 PolarHBondContact O-N 2.83Å; Y158-L161 PolarHBondContact O-N 2.64Å; R159-L161 PolarHBondContact O-N 2.71Å; L161-V164 PolarHBondContact O-N 3.28Å; L161-N165 WeakPolarHBondContact O-CB 3.42Å; L161-N165 PolarHBondContact O-N 2.99Å
162Y90.7Very high91.5Very high31 Ų3149.4 Ų49.412%0.12224%0.237CC..Hα-helixtrans-67.4-35.9175.3-98.7-84.5000113D9 Y158 R159 A160 N165 W166D9-Y162 PolarHBondContact OD1-OH 3.27Å; Y158-Y162 AromaticContact CD2-CD2 3.81Å; Y158-Y162 HydrophobicContact CD2-CD2 3.81Å; Y158-Y162 HydrophobicContact CD2-CE2 4.13Å; Y158-Y162 HydrophobicContact CE2-CD2 4.42Å; Y158-Y162 WeakPolarHBondContact O-CD2 3.44Å; Y158-Y162 PolarHBondContact O-N 3.14Å; R159-Y162 PolarHBondContact O-N 3.36Å; R159-Y162 VanDerWaalsContact O-N 3.14Å; A160-Y162 PolarHBondContact O-N 2.86Å; Y162-N165 WeakPolarHBondContact O-CB 3.44Å; Y162-N165 PolarHBondContact O-N 3.44Å; Y162-W166 HydrophobicContact CD1-CZ2 4.43Å; Y162-W166 VanDerWaalsContact O-CD2 3.24Å; Y162-W166 VanDerWaalsContact O-CG 3.25Å; Y162-W166 PolarHBondContact O-N 2.86Å
163L89.7Confident91.3Very high45 Ų4553.8 Ų53.824%0.23626%0.257CS..Hα-helixtrans-64.2-47.3173.5-176.863.6000111.1R159 A160 N165 W166 I167R159-L163 PolarHBondContact O-N 2.94Å; A160-L163 PolarHBondContact O-N 3.5Å; L163-N165 VanDerWaalsContact C-N 3.29Å; L163-N165 PolarHBondContact O-N 3.16Å; L163-W166 HydrophobicContact CB-CE3 4.43Å; L163-W166 HydrophobicContact CD1-CE3 3.9Å; L163-W166 HydrophobicContact CD1-CZ3 4.24Å; L163-W166 PolarHBondContact O-N 3.26Å; L163-W166 VanDerWaalsContact O-N 3.12Å; L163-I167 HydrophobicContact CG-CD1 4.4Å; L163-I167 WeakPolarHBondContact O-CG1 3.2Å; L163-I167 PolarHBondContact O-N 3.49Å
164V91.2Very high91Very high62 Ų6257 Ų5738%0.37628%0.277SS..Hα-helixtrans-60.9-40.1174.3176.40000111F4 A160 L161 W166 I167 Y168F4-V164 HydrophobicContact CD1-CB 4.34Å; F4-V164 HydrophobicContact CD1-CG1 3.62Å; F4-V164 HydrophobicContact CD2-CG1 4.34Å; F4-V164 HydrophobicContact CE1-CG1 3.55Å; F4-V164 HydrophobicContact CE2-CG1 4.28Å; F4-V164 HydrophobicContact CG-CG1 4.03Å; F4-V164 HydrophobicContact CZ-CG1 3.9Å; A160-V164 WeakPolarHBondContact O-CG2 3.38Å; A160-V164 PolarHBondContact O-N 3.39Å; L161-V164 PolarHBondContact O-N 3.28Å; V164-W166 VanDerWaalsContact C-N 3.35Å; V164-W166 PolarHBondContact O-N 3.43Å; V164-I167 PolarHBondContact O-N 3.05Å; V164-Y168 WeakPolarHBondContact O-CB 3.38Å; V164-Y168 PolarHBondContact O-N 3.15Å
165N90.8Very high90.7Very high4 Ų459.6 Ų59.62%0.02129%0.292CS..Hα-helixtrans-57.7-44.3172.9162.871.1000112.1N2 F4 L161 Y162 L163 Y168 R169N2-N165 PolarHBondContact ND2-OD1 2.62Å; N2-N165 PolarHBondContact OD1-OD1 3.17Å; F4-N165 HydrophobicContact CB-CB 3.63Å; L161-N165 WeakPolarHBondContact O-CB 3.42Å; L161-N165 PolarHBondContact O-N 2.99Å; Y162-N165 WeakPolarHBondContact O-CB 3.44Å; Y162-N165 PolarHBondContact O-N 3.44Å; L163-N165 VanDerWaalsContact C-N 3.29Å; L163-N165 PolarHBondContact O-N 3.16Å; N165-Y168 PolarHBondContact O-N 2.89Å; N165-R169 VanDerWaalsContact O-CG 3.3Å; N165-R169 WeakPolarHBondContact O-CG 3.36Å; N165-R169 PolarHBondContact O-N 2.98Å
166W89Confident90.4Very high50 Ų5066.4 Ų66.419%0.18932%0.318CS..Hα-helixtrans-66.4-41.2178.4-61.1-36.7000112.3Y162 L163 V164 Y168 R169 Y170 A180Y162-W166 HydrophobicContact CD1-CZ2 4.43Å; Y162-W166 VanDerWaalsContact O-CD2 3.24Å; Y162-W166 VanDerWaalsContact O-CG 3.25Å; Y162-W166 PolarHBondContact O-N 2.86Å; L163-W166 HydrophobicContact CB-CE3 4.43Å; L163-W166 HydrophobicContact CD1-CE3 3.9Å; L163-W166 HydrophobicContact CD1-CZ3 4.24Å; L163-W166 PolarHBondContact O-N 3.26Å; L163-W166 VanDerWaalsContact O-N 3.12Å; V164-W166 VanDerWaalsContact C-N 3.35Å; V164-W166 PolarHBondContact O-N 3.43Å; W166-Y168 VanDerWaalsContact C-N 3.32Å; W166-Y168 PolarHBondContact O-N 3.25Å; W166-R169 PolarHBondContact O-N 3.49Å; W166-Y170 PolarHBondContact O-N 3.23Å; W166-A180 WeakPolarHBondContact CH2-O 3.34Å; W166-A180 HydrophobicContact CZ2-CB 4.13Å; W166-A180 WeakPolarHBondContact CZ3-O 3.32Å
167I90.2Very high90.2Very high88 Ų8868.2 Ų68.245%0.45133%0.328SS..Hα-helixtrans-59.3-46.1173.8-65.1166.7000110.2L163 V164 R169 Y170 Y171L163-I167 HydrophobicContact CG-CD1 4.4Å; L163-I167 WeakPolarHBondContact O-CG1 3.2Å; L163-I167 PolarHBondContact O-N 3.49Å; V164-I167 PolarHBondContact O-N 3.05Å; I167-R169 PolarHBondContact O-N 2.61Å; I167-Y170 WeakPolarHBondContact O-CB 3.32Å; I167-Y170 PolarHBondContact O-N 2.71Å; I167-Y171 HydrophobicContact CG2-CD2 3.87Å; I167-Y171 HydrophobicContact CG2-CE2 3.74Å; I167-Y171 VanDerWaalsContact O-CD2 3.24Å; I167-Y171 WeakPolarHBondContact O-CD2 3.25Å; I167-Y171 PolarHBondContact O-N 3.06Å
168Y91.2Very high90.1Very high93 Ų9372.4 Ų72.437%0.36535%0.347SS..Hα-helixtrans-58.9-45.8176.5176.7-88000112N2 F4 V164 N165 W166 Y170 Y171 V172N2-Y168 HydrophobicContact CB-CD1 4.36Å; N2-Y168 HydrophobicContact CB-CE1 4.08Å; N2-Y168 WeakPolarHBondContact ND2-CD1 3.42Å; F4-Y168 HydrophobicContact CD2-CD2 4.29Å; F4-Y168 HydrophobicContact CD2-CG 4.09Å; F4-Y168 AromaticContact CE2-CD2 3.81Å; F4-Y168 HydrophobicContact CE2-CD2 3.81Å; F4-Y168 HydrophobicContact CE2-CE2 4.47Å; F4-Y168 HydrophobicContact CE2-CG 4.07Å; V164-Y168 WeakPolarHBondContact O-CB 3.38Å; V164-Y168 PolarHBondContact O-N 3.15Å; N165-Y168 PolarHBondContact O-N 2.89Å; W166-Y168 VanDerWaalsContact C-N 3.32Å; W166-Y168 PolarHBondContact O-N 3.25Å; Y168-Y170 VanDerWaalsContact C-N 3.31Å; Y168-Y170 PolarHBondContact O-N 2.97Å; Y168-Y171 PolarHBondContact O-N 3.47Å; Y168-V172 HydrophobicContact CD1-CB 4.45Å; Y168-V172 HydrophobicContact CD1-CG2 4.47Å; Y168-V172 HydrophobicContact CD2-CG2 4.04Å; Y168-V172 HydrophobicContact CE1-CB 4.03Å; Y168-V172 HydrophobicContact CE1-CG1 4.19Å; Y168-V172 HydrophobicContact CE1-CG2 4.14Å; Y168-V172 HydrophobicContact CE2-CB 4.48Å; Y168-V172 HydrophobicContact CE2-CG2 3.71Å; Y168-V172 HydrophobicContact CG-CG2 4.42Å; Y168-V172 WeakPolarHBondContact O-CB 3.5Å; Y168-V172 WeakPolarHBondContact O-CG2 3.29Å; Y168-V172 PolarHBondContact O-N 3.09Å
169R89.6Confident90Very high71 Ų7173 Ų7327%0.26835%0.351SS..Hα-helixtrans-65-34.4178.7-70.1-177.770.7-145.2-4112.6N165 W166 I167 E173 D174 V175N165-R169 VanDerWaalsContact O-CG 3.3Å; N165-R169 WeakPolarHBondContact O-CG 3.36Å; N165-R169 PolarHBondContact O-N 2.98Å; W166-R169 PolarHBondContact O-N 3.49Å; I167-R169 PolarHBondContact O-N 2.61Å; R169-E173 IonicContact CZ-OE2 2.61Å; R169-E173 IonicContact NE-OE2 2.71Å; R169-E173 PolarHBondContact NE-OE2 3.15Å; R169-E173 IonicContact NH2-OE2 2.71Å; R169-E173 PolarHBondContact NH2-OE2 3.31Å; R169-E173 CarbonylContact O-C 3.48Å; R169-E173 WeakPolarHBondContact O-CA 3.49Å; R169-E173 WeakPolarHBondContact O-CB 3.31Å; R169-E173 PolarHBondContact O-N 2.91Å; R169-D174 PolarHBondContact O-N 3.23Å; R169-D174 VanDerWaalsContact O-N 3.14Å; R169-V175 PolarHBondContact O-N 3.42Å
170Y90.5Very high90Very high115 Ų11572.6 Ų72.645%0.45135%0.351SS..Hα-helixtrans-61.2-47.9173.9177.2-112.5000111.6W166 I167 Y168 D174 Y176W166-Y170 PolarHBondContact O-N 3.23Å; I167-Y170 WeakPolarHBondContact O-CB 3.32Å; I167-Y170 PolarHBondContact O-N 2.71Å; Y168-Y170 VanDerWaalsContact C-N 3.31Å; Y168-Y170 PolarHBondContact O-N 2.97Å; Y170-D174 WeakPolarHBondContact O-CA 3.36Å; Y170-D174 PolarHBondContact O-N 3.07Å; Y170-Y176 HydrophobicContact CD2-CD1 4.04Å; Y170-Y176 HydrophobicContact CD2-CG 4.25Å; Y170-Y176 HydrophobicContact CE2-CD1 4.01Å; Y170-Y176 HydrophobicContact CE2-CG 4.41Å
171Y91.9Very high90Very high182 Ų18273.3 Ų73.371%0.71435%0.347SS*.Hα-helixtrans-77.5-30.8-177.7-73.9-69.9000114.6I167 Y168I167-Y171 HydrophobicContact CG2-CD2 3.87Å; I167-Y171 HydrophobicContact CG2-CE2 3.74Å; I167-Y171 VanDerWaalsContact O-CD2 3.24Å; I167-Y171 WeakPolarHBondContact O-CD2 3.25Å; I167-Y171 PolarHBondContact O-N 3.06Å; Y168-Y171 PolarHBondContact O-N 3.47Å
172V91.9Very high90Very high86 Ų8675.3 Ų75.352%0.52136%0.362SS..Hα-helixtrans-103.9-35.8-171.9179.80000113.1Y168Y168-V172 HydrophobicContact CD1-CB 4.45Å; Y168-V172 HydrophobicContact CD1-CG2 4.47Å; Y168-V172 HydrophobicContact CD2-CG2 4.04Å; Y168-V172 HydrophobicContact CE1-CB 4.03Å; Y168-V172 HydrophobicContact CE1-CG1 4.19Å; Y168-V172 HydrophobicContact CE1-CG2 4.14Å; Y168-V172 HydrophobicContact CE2-CB 4.48Å; Y168-V172 HydrophobicContact CE2-CG2 3.71Å; Y168-V172 HydrophobicContact CG-CG2 4.42Å; Y168-V172 WeakPolarHBondContact O-CB 3.5Å; Y168-V172 WeakPolarHBondContact O-CG2 3.29Å; Y168-V172 PolarHBondContact O-N 3.09Å
173E89.3Confident90.1Very high91 Ų9174.1 Ų74.143%0.42536%0.358SS..Hα-helixtrans-105.2-7.9-176.3-59.4174.5-165.100112.7R169 V175R169-E173 IonicContact CZ-OE2 2.61Å; R169-E173 IonicContact NE-OE2 2.71Å; R169-E173 PolarHBondContact NE-OE2 3.15Å; R169-E173 IonicContact NH2-OE2 2.71Å; R169-E173 PolarHBondContact NH2-OE2 3.31Å; R169-E173 CarbonylContact O-C 3.48Å; R169-E173 WeakPolarHBondContact O-CA 3.49Å; R169-E173 WeakPolarHBondContact O-CB 3.31Å; R169-E173 PolarHBondContact O-N 2.91Å; E173-V175 HydrophobicContact CB-CG2 4.26Å; E173-V175 WeakPolarHBondContact O-CG2 3.33Å; E173-V175 PolarHBondContact O-N 2.97Å
174D87Confident90.1Very high131 Ų13172.1 Ų72.170%0.70135%0.348SS*.  trans54.531-172.6-159.431.9000113.2R169 Y170R169-D174 PolarHBondContact O-N 3.23Å; R169-D174 VanDerWaalsContact O-N 3.14Å; Y170-D174 WeakPolarHBondContact O-CA 3.36Å; Y170-D174 PolarHBondContact O-N 3.07Å
175V86.8Confident90.1Very high65 Ų6572 Ų7239%0.39435%0.349SS..  trans-113.6121.3177.8-178.70000109.8R169 E173R169-V175 PolarHBondContact O-N 3.42Å; E173-V175 HydrophobicContact CB-CG2 4.26Å; E173-V175 WeakPolarHBondContact O-CG2 3.33Å; E173-V175 PolarHBondContact O-N 2.97Å
176Y86.7Confident90.2Very high144 Ų14474.8 Ų74.857%0.56537%0.366SS*.  trans-129.8150.8170.664.2-82.5000111.5Y170 L178Y170-Y176 HydrophobicContact CD2-CD1 4.04Å; Y170-Y176 HydrophobicContact CD2-CG 4.25Å; Y170-Y176 HydrophobicContact CE2-CD1 4.01Å; Y170-Y176 HydrophobicContact CE2-CG 4.41Å; Y176-L178 HydrophobicContact CD2-CD2 4.39Å; Y176-L178 HydrophobicContact CD2-CG 4.38Å; Y176-L178 HydrophobicContact CE2-CG 4.37Å
177D88.6Confident90.3Very high40 Ų4072.6 Ų72.621%0.21436%0.358CS..  trans-132.5111.9178.7-176.5-49.5000108.3H111 W120 V179 A180 I181H111-D177 IonicContact CE1-OD1 3.51Å; H111-D177 PolarHBondContact CE1-OD1 3.39Å; H111-D177 IonicContact CE1-OD2 3.95Å; H111-D177 PolarHBondContact CE1-OD2 3.14Å; H111-D177 IonicContact NE2-OD1 2.81Å; H111-D177 IonicContact NE2-OD2 3.33Å; W120-D177 WeakPolarHBondContact CH2-OD2 3.13Å; D177-V179 VanDerWaalsContact C-N 3.31Å; D177-V179 PolarHBondContact O-N 3.45Å; D177-V179 WeakPolarHBondContact OD1-CA 3.14Å; D177-V179 VanDerWaalsContact OD1-CB 3.29Å; D177-V179 WeakPolarHBondContact OD1-CB 3.42Å; D177-V179 PolarHBondContact OD1-N 3.24Å; D177-A180 HydrophobicContact CB-CB 3.96Å; D177-A180 PolarHBondContact O-N 3.32Å; D177-A180 PolarHBondContact OD1-N 3.44Å; D177-I181 WeakPolarHBondContact O-CB 3.48Å; D177-I181 WeakPolarHBondContact O-CD1 3.46Å; D177-I181 WeakPolarHBondContact O-CG1 3.41Å; D177-I181 PolarHBondContact O-N 3.26Å
178L90Very high90.2Very high113 Ų11370.2 Ų70.259%0.59235%0.348SS*.Hα-helixtrans-65.2-36-176.2-72.2178.7000112.2Y176 I181 V182Y176-L178 HydrophobicContact CD2-CD2 4.39Å; Y176-L178 HydrophobicContact CD2-CG 4.38Å; Y176-L178 HydrophobicContact CE2-CG 4.37Å; L178-I181 PolarHBondContact O-N 3.45Å; L178-V182 WeakPolarHBondContact O-CB 3.45Å; L178-V182 VanDerWaalsContact O-CG2 3.3Å; L178-V182 WeakPolarHBondContact O-CG2 3.5Å; L178-V182 PolarHBondContact O-N 3.39Å
179V91.9Very high90.2Very high13 Ų1371.4 Ų71.48%0.07936%0.36CS..Hα-helixtrans-63-49.1178.1173.60000109.4T121 I124 Y125 D177 A183T121-V179 HydrophobicContact CG2-CG1 4Å; I124-V179 HydrophobicContact CD1-CG1 4.49Å; I124-V179 HydrophobicContact CG2-CG1 4.16Å; Y125-V179 HydrophobicContact CD1-CG1 4.31Å; Y125-V179 HydrophobicContact CE1-CG1 3.56Å; D177-V179 VanDerWaalsContact C-N 3.31Å; D177-V179 PolarHBondContact O-N 3.45Å; D177-V179 WeakPolarHBondContact OD1-CA 3.14Å; D177-V179 VanDerWaalsContact OD1-CB 3.29Å; D177-V179 WeakPolarHBondContact OD1-CB 3.42Å; D177-V179 PolarHBondContact OD1-N 3.24Å; V179-A183 VanDerWaalsContact O-CB 3.24Å; V179-A183 WeakPolarHBondContact O-CB 3.13Å; V179-A183 PolarHBondContact O-N 2.88Å
180A91.3Very high90.2Very high6 Ų670.6 Ų70.65%0.0536%0.361CS..Hα-helixtrans-64.4-41.117900000112.2I124 W166 D177 G184I124-A180 HydrophobicContact CD1-CB 4.45Å; W166-A180 WeakPolarHBondContact CH2-O 3.34Å; W166-A180 HydrophobicContact CZ2-CB 4.13Å; W166-A180 WeakPolarHBondContact CZ3-O 3.32Å; D177-A180 HydrophobicContact CB-CB 3.96Å; D177-A180 PolarHBondContact O-N 3.32Å; D177-A180 PolarHBondContact OD1-N 3.44Å; A180-G184 WeakPolarHBondContact O-CA 3.32Å; A180-G184 PolarHBondContact O-N 3.45Å
181I89.9Confident90.1Very high62 Ų6265.2 Ų65.232%0.31834%0.34SS..Hα-helixtrans-65.4-51.5179.6-69.5164.6000110.8D177 L178 G184 C185D177-I181 WeakPolarHBondContact O-CB 3.48Å; D177-I181 WeakPolarHBondContact O-CD1 3.46Å; D177-I181 WeakPolarHBondContact O-CG1 3.41Å; D177-I181 PolarHBondContact O-N 3.26Å; L178-I181 PolarHBondContact O-N 3.45Å; I181-G184 PolarHBondContact O-N 2.97Å; I181-C185 PolarHBondContact O-N 3.07Å; I181-C185 PolarHBondContact O-SG 3.08Å; I181-C185 VanDerWaalsContact O-SG 3.32Å
182V91.7Very high90Very high90 Ų9060.5 Ų60.555%0.54533%0.326SS..Hα-helixtrans-63.4-48.3-177.7172.70000110.8L178 G184 C185 V186L178-V182 WeakPolarHBondContact O-CB 3.45Å; L178-V182 VanDerWaalsContact O-CG2 3.3Å; L178-V182 WeakPolarHBondContact O-CG2 3.5Å; L178-V182 PolarHBondContact O-N 3.39Å; V182-G184 VanDerWaalsContact C-N 3.28Å; V182-G184 PolarHBondContact O-N 2.96Å; V182-C185 PolarHBondContact O-N 2.65Å; V182-V186 WeakPolarHBondContact O-CG2 3.45Å; V182-V186 PolarHBondContact O-N 3.42Å
183A93.2Very high89.8Confident5 Ų562.1 Ų62.14%0.04133%0.332CS..Hα-helixtrans-62.9-37.5177.200000111.9I124 Y125 S128 V179 V186 Q187I124-A183 HydrophobicContact CG2-CB 3.36Å; Y125-A183 HydrophobicContact CD1-CB 4.2Å; S128-A183 WeakPolarHBondContact CB-O 3.32Å; V179-A183 VanDerWaalsContact O-CB 3.24Å; V179-A183 WeakPolarHBondContact O-CB 3.13Å; V179-A183 PolarHBondContact O-N 2.88Å; A183-V186 PolarHBondContact O-N 2.86Å; A183-Q187 WeakPolarHBondContact O-CB 3.19Å; A183-Q187 PolarHBondContact O-N 3.16Å
184G90.5Very high89.7Confident3 Ų358.3 Ų58.33%0.03131%0.314CS..Hα-helixtrans-60.6-43.1173.800000113.9A180 I181 V182 Q187 T188A180-G184 WeakPolarHBondContact O-CA 3.32Å; A180-G184 PolarHBondContact O-N 3.45Å; I181-G184 PolarHBondContact O-N 2.97Å; V182-G184 VanDerWaalsContact C-N 3.28Å; V182-G184 PolarHBondContact O-N 2.96Å; G184-Q187 PolarHBondContact O-N 2.88Å; G184-T188 WeakPolarHBondContact O-CB 3.12Å; G184-T188 PolarHBondContact O-N 3.09Å; G184-T188 PolarHBondContact O-OG1 2.94Å
185C90.5Very high89.7Confident59 Ų5954.3 Ų54.340%0.39929%0.29SS..Hα-helixtrans-63.3-48.7174.1-71.50000111.2I181 V182 Q187 T188 L189I181-C185 PolarHBondContact O-N 3.07Å; I181-C185 PolarHBondContact O-SG 3.08Å; I181-C185 VanDerWaalsContact O-SG 3.32Å; V182-C185 PolarHBondContact O-N 2.65Å; C185-Q187 VanDerWaalsContact C-N 3.3Å; C185-Q187 PolarHBondContact O-N 3.19Å; C185-T188 PolarHBondContact O-N 3.17Å; C185-L189 WeakPolarHBondContact O-CG 3.29Å; C185-L189 PolarHBondContact O-N 3.49Å
186V92Very high89.8Confident63 Ų6358.6 Ų58.638%0.38230%0.3SS..Hα-helixtrans-55.1-48.1176.3171.40000110.6V182 A183 T188 L189 L190V182-V186 WeakPolarHBondContact O-CG2 3.45Å; V182-V186 PolarHBondContact O-N 3.42Å; A183-V186 PolarHBondContact O-N 2.86Å; V186-T188 PolarHBondContact O-N 3.35Å; V186-L189 PolarHBondContact O-N 2.84Å; V186-L190 HydrophobicContact CG1-CD1 4.46Å; V186-L190 WeakPolarHBondContact O-CG 3.14Å; V186-L190 PolarHBondContact O-N 2.85Å
187Q90.8Very high89.7Confident4 Ų452.3 Ų52.32%0.01928%0.277CS..Hα-helixtrans-62.8-44.2179.5-166.9167.211.600111.9E127 R159 A183 G184 C185 L189 L190 Y191E127-Q187 PolarHBondContact O-NE2 2.99Å; R159-Q187 VanDerWaalsContact CD-CD 3.48Å; R159-Q187 HydrophobicContact CG-CG 4.41Å; A183-Q187 WeakPolarHBondContact O-CB 3.19Å; A183-Q187 PolarHBondContact O-N 3.16Å; G184-Q187 PolarHBondContact O-N 2.88Å; C185-Q187 VanDerWaalsContact C-N 3.3Å; C185-Q187 PolarHBondContact O-N 3.19Å; Q187-L189 VanDerWaalsContact C-N 3.35Å; Q187-L189 PolarHBondContact O-N 3.45Å; Q187-L190 PolarHBondContact O-N 3.22Å; Q187-Y191 HydrophobicContact CG-CD2 4.04Å; Q187-Y191 HydrophobicContact CG-CE2 3.76Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.24Å; Q187-Y191 PolarHBondContact O-N 3.07Å
188T88.8Confident89.7Confident38 Ų3851 Ų5123%0.23327%0.268CS..Hα-helixtrans-60.6-45.8179-58.10000110.7G184 C185 V186 L190 Y191 I192G184-T188 WeakPolarHBondContact O-CB 3.12Å; G184-T188 PolarHBondContact O-N 3.09Å; G184-T188 PolarHBondContact O-OG1 2.94Å; C185-T188 PolarHBondContact O-N 3.17Å; V186-T188 PolarHBondContact O-N 3.35Å; T188-L190 VanDerWaalsContact C-N 3.28Å; T188-L190 PolarHBondContact O-N 3.34Å; T188-Y191 PolarHBondContact O-N 3.12Å; T188-I192 HydrophobicContact CG2-CG1 4.48Å; T188-I192 WeakPolarHBondContact O-CG1 3.45Å; T188-I192 PolarHBondContact O-N 2.93Å; T188-I192 VanDerWaalsContact O-N 3.14Å
189L90.7Very high89.6Confident118 Ų11849 Ų4962%0.61826%0.261SS*.Hα-helixtrans-56.4-42177-70.4172.8000112.1C185 V186 Q187 Y191 I192C185-L189 WeakPolarHBondContact O-CG 3.29Å; C185-L189 PolarHBondContact O-N 3.49Å; V186-L189 PolarHBondContact O-N 2.84Å; Q187-L189 VanDerWaalsContact C-N 3.35Å; Q187-L189 PolarHBondContact O-N 3.45Å; L189-Y191 PolarHBondContact O-N 3.43Å; L189-I192 HydrophobicContact CD2-CD1 4Å; L189-I192 PolarHBondContact O-N 3Å
190L91Very high89.3Confident54 Ų5450.3 Ų50.328%0.28327%0.269SS..Hα-helixtrans-64.4-25.8177.1-67.3175000113.6S128 L132 L135 V186 Q187 T188S128-L190 WeakPolarHBondContact O-CD1 3.49Å; L132-L190 HydrophobicContact CD2-CD1 3.7Å; L132-L190 HydrophobicContact CD2-CD2 3.63Å; L132-L190 HydrophobicContact CD2-CG 4.24Å; L132-L190 HydrophobicContact CG-CD1 4.12Å; L135-L190 HydrophobicContact CD1-CB 4.47Å; L135-L190 WeakPolarHBondContact CD1-O 3.28Å; V186-L190 HydrophobicContact CG1-CD1 4.46Å; V186-L190 WeakPolarHBondContact O-CG 3.14Å; V186-L190 PolarHBondContact O-N 2.85Å; Q187-L190 PolarHBondContact O-N 3.22Å; T188-L190 VanDerWaalsContact C-N 3.28Å; T188-L190 PolarHBondContact O-N 3.34Å
191Y88.2Confident89Confident2 Ų253.8 Ų53.81%0.00828%0.281CS..Hα-helixtrans-90.6-19.5179.1-81-74.3000114.3I131 L155 Q187 T188 L189 D193 F194 F195I131-Y191 HydrophobicContact CB-CE1 4.46Å; I131-Y191 HydrophobicContact CB-CE2 4.42Å; I131-Y191 WeakPolarHBondContact CB-OH 3.37Å; I131-Y191 HydrophobicContact CD1-CE1 4.25Å; I131-Y191 WeakPolarHBondContact CD1-OH 3.11Å; I131-Y191 HydrophobicContact CG1-CE1 3.71Å; I131-Y191 VanDerWaalsContact CG1-OH 3.28Å; I131-Y191 WeakPolarHBondContact CG1-OH 3.3Å; I131-Y191 HydrophobicContact CG2-CE2 4.08Å; L155-Y191 WeakPolarHBondContact CD2-OH 3.23Å; L155-Y191 WeakPolarHBondContact CG-OH 3.25Å; Q187-Y191 HydrophobicContact CG-CD2 4.04Å; Q187-Y191 HydrophobicContact CG-CE2 3.76Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.24Å; Q187-Y191 PolarHBondContact O-N 3.07Å; T188-Y191 PolarHBondContact O-N 3.12Å; L189-Y191 PolarHBondContact O-N 3.43Å; Y191-D193 PolarHBondContact O-N 3.16Å; Y191-F194 WeakPolarHBondContact O-CB 3.35Å; Y191-F194 PolarHBondContact O-N 2.88Å; Y191-F195 HydrophobicContact CG-CE2 4.46Å; Y191-F195 VanDerWaalsContact O-CD2 3.31Å; Y191-F195 WeakPolarHBondContact O-CD2 3.43Å; Y191-F195 PolarHBondContact O-N 2.81Å
192I89.2Confident88.7Confident84 Ų8451.5 Ų51.543%0.43127%0.27SS..Hα-helixtrans-56.8-48.3-171.1-77.8170.1000112T188 L189 F194 F195 Y196T188-I192 HydrophobicContact CG2-CG1 4.48Å; T188-I192 WeakPolarHBondContact O-CG1 3.45Å; T188-I192 PolarHBondContact O-N 2.93Å; T188-I192 VanDerWaalsContact O-N 3.14Å; L189-I192 HydrophobicContact CD2-CD1 4Å; L189-I192 PolarHBondContact O-N 3Å; I192-F194 VanDerWaalsContact C-N 3.31Å; I192-F194 PolarHBondContact O-N 2.92Å; I192-F195 PolarHBondContact O-N 3.44Å; I192-Y196 PolarHBondContact O-N 3.34Å
193D87.2Confident88.3Confident120 Ų12052.3 Ų52.364%0.64227%0.271SS*.Hα-helixtrans-63.2-41-178.8-67.1-18.9000111.4Y191 Y196 L197Y191-D193 PolarHBondContact O-N 3.16Å; D193-Y196 PolarHBondContact O-N 2.83Å; D193-L197 WeakPolarHBondContact O-CG 3.3Å; D193-L197 PolarHBondContact O-N 3.33Å; D193-L197 VanDerWaalsContact O-N 3.14Å
194F87.6Confident87.9Confident11 Ų1158.9 Ų58.95%0.04830%0.298CS..Hα-helixtrans-62.2-45.9175.3175.6-91000111.6L135 A149 L152 F153 Y191 I192 Y196 L197 Y198 L208L135-F194 HydrophobicContact CD2-CB 4.17Å; L135-F194 HydrophobicContact CD2-CD2 4.34Å; L135-F194 HydrophobicContact CD2-CG 4.41Å; A149-F194 HydrophobicContact CB-CZ 4.37Å; L152-F194 HydrophobicContact CB-CD1 4.19Å; L152-F194 HydrophobicContact CB-CE1 3.41Å; L152-F194 VanDerWaalsContact CB-CE1 3.41Å; L152-F194 HydrophobicContact CB-CE2 3.84Å; L152-F194 HydrophobicContact CB-CZ 3.22Å; L152-F194 HydrophobicContact CD1-CD2 4.07Å; L152-F194 HydrophobicContact CD1-CE2 3.45Å; L152-F194 VanDerWaalsContact CD1-CE2 3.45Å; L152-F194 HydrophobicContact CD1-CZ 3.76Å; L152-F194 HydrophobicContact CG-CE2 4.29Å; L152-F194 HydrophobicContact CG-CZ 4.13Å; F153-F194 HydrophobicContact CB-CE1 4.45Å; Y191-F194 WeakPolarHBondContact O-CB 3.35Å; Y191-F194 PolarHBondContact O-N 2.88Å; I192-F194 VanDerWaalsContact C-N 3.31Å; I192-F194 PolarHBondContact O-N 2.92Å; F194-Y196 PolarHBondContact O-N 3.33Å; F194-L197 PolarHBondContact O-N 3.31Å; F194-Y198 HydrophobicContact CZ-CD2 4.39Å; F194-Y198 WeakPolarHBondContact O-CB 3.25Å; F194-Y198 PolarHBondContact O-N 3.41Å; F194-L208 HydrophobicContact CD2-CD1 4.18Å; F194-L208 HydrophobicContact CE2-CD1 3.57Å; F194-L208 HydrophobicContact CZ-CD1 4.12Å
195F88.1Confident87.4Confident46 Ų4662.3 Ų62.320%0.20233%0.333CS..Hα-helixtrans-60.5-44.8178.4-92.4-70.6000112.4F153 G156 Y191 I192 L197 Y198 V199F153-F195 AromaticContact CD2-CD1 3.59Å; F153-F195 HydrophobicContact CD2-CD1 3.59Å; F153-F195 AromaticContact CD2-CE1 3.39Å; F153-F195 HydrophobicContact CD2-CE1 3.39Å; F153-F195 AromaticContact CE2-CD1 3.63Å; F153-F195 HydrophobicContact CE2-CD1 3.63Å; F153-F195 AromaticContact CE2-CE1 3.41Å; F153-F195 HydrophobicContact CE2-CE1 3.41Å; F153-F195 VanDerWaalsContact CE2-CE1 3.41Å; F153-F195 HydrophobicContact CG-CE1 4.31Å; F153-F195 HydrophobicContact CZ-CE1 4.33Å; G156-F195 VanDerWaalsContact CA-CE2 3.47Å; G156-F195 VanDerWaalsContact CA-CZ 3.41Å; Y191-F195 HydrophobicContact CG-CE2 4.46Å; Y191-F195 VanDerWaalsContact O-CD2 3.31Å; Y191-F195 WeakPolarHBondContact O-CD2 3.43Å; Y191-F195 PolarHBondContact O-N 2.81Å; I192-F195 PolarHBondContact O-N 3.44Å; F195-L197 VanDerWaalsContact C-N 3.3Å; F195-L197 PolarHBondContact O-N 2.81Å; F195-Y198 PolarHBondContact O-N 3.38Å; F195-V199 WeakPolarHBondContact O-CG2 3.43Å; F195-V199 PolarHBondContact O-N 3.41Å
196Y88.8Confident86.9Confident155 Ų15567.5 Ų67.561%0.60834%0.344SS*.Hα-helixtrans-56.4-46.7176.6173.7-101.6000111.2I192 D193 F194 V199 T200I192-Y196 PolarHBondContact O-N 3.34Å; D193-Y196 PolarHBondContact O-N 2.83Å; F194-Y196 PolarHBondContact O-N 3.33Å; Y196-V199 PolarHBondContact O-N 3.16Å; Y196-T200 HydrophobicContact CD2-CG2 4.16Å; Y196-T200 HydrophobicContact CE1-CG2 4.47Å; Y196-T200 HydrophobicContact CE2-CG2 3.79Å; Y196-T200 WeakPolarHBondContact O-CB 3.29Å; Y196-T200 VanDerWaalsContact O-CG2 3.31Å; Y196-T200 WeakPolarHBondContact O-CG2 3.42Å; Y196-T200 PolarHBondContact O-N 2.97Å; Y196-T200 PolarHBondContact O-OG1 2.91Å
197L84.6Confident86.1Confident13 Ų1370.3 Ų70.37%0.06835%0.353CS..Hα-helixtrans-68.6-37.4179-68.3169.4000113D193 F194 F195 T200 R201 L208 L210D193-L197 WeakPolarHBondContact O-CG 3.3Å; D193-L197 PolarHBondContact O-N 3.33Å; D193-L197 VanDerWaalsContact O-N 3.14Å; F194-L197 PolarHBondContact O-N 3.31Å; F195-L197 VanDerWaalsContact C-N 3.3Å; F195-L197 PolarHBondContact O-N 2.81Å; L197-T200 PolarHBondContact O-OG1 3.09Å; L197-R201 VanDerWaalsContact O-CB 3.28Å; L197-R201 WeakPolarHBondContact O-CB 3.42Å; L197-R201 PolarHBondContact O-N 3.44Å; L197-L208 HydrophobicContact CB-CD1 4.38Å; L197-L210 HydrophobicContact CD1-CD2 3.11Å; L197-L210 HydrophobicContact CD1-CG 4.27Å
198Y87.4Confident85.4Confident11 Ų1170.2 Ų70.24%0.04335%0.353CS..Hα-helixtrans-60.9-50.1175.1178-88.3000111.5A149 H150 F153 F194 F195 T200 V202 L203A149-Y198 HydrophobicContact CB-CD2 4.06Å; A149-Y198 HydrophobicContact CB-CE2 4.29Å; H150-Y198 PolarHBondContact CE1-OH 3.15Å; H150-Y198 AromaticContact ND1-CE2 3.69Å; H150-Y198 AromaticContact ND1-CZ 3.68Å; H150-Y198 PolarHBondContact ND1-OH 3.45Å; F153-Y198 HydrophobicContact CB-CD1 4.19Å; F153-Y198 HydrophobicContact CB-CD2 3.87Å; F153-Y198 HydrophobicContact CB-CE1 3.96Å; F153-Y198 HydrophobicContact CB-CE2 3.63Å; F153-Y198 HydrophobicContact CB-CG 4.13Å; F153-Y198 AromaticContact CD1-CE1 3.89Å; F153-Y198 HydrophobicContact CD1-CE1 3.89Å; F153-Y198 AromaticContact CD1-CZ 3.93Å; F153-Y198 AromaticContact CD2-CD1 3.18Å; F153-Y198 HydrophobicContact CD2-CD1 3.18Å; F153-Y198 HydrophobicContact CD2-CD2 4.36Å; F153-Y198 AromaticContact CD2-CE1 3.22Å; F153-Y198 HydrophobicContact CD2-CE1 3.22Å; F153-Y198 HydrophobicContact CD2-CE2 4.4Å; F153-Y198 AromaticContact CD2-CG 3.78Å; F153-Y198 HydrophobicContact CD2-CG 3.78Å; F153-Y198 AromaticContact CD2-CZ 3.86Å; F153-Y198 HydrophobicContact CE1-CE1 4.19Å; F153-Y198 AromaticContact CE2-CD1 3.62Å; F153-Y198 HydrophobicContact CE2-CD1 3.62Å; F153-Y198 AromaticContact CE2-CE1 3.56Å; F153-Y198 HydrophobicContact CE2-CE1 3.56Å; F153-Y198 AromaticContact CG-CD1 3.77Å; F153-Y198 HydrophobicContact CG-CD1 3.77Å; F153-Y198 HydrophobicContact CG-CD2 4.34Å; F153-Y198 AromaticContact CG-CE1 3.39Å; F153-Y198 HydrophobicContact CG-CE1 3.39Å; F153-Y198 HydrophobicContact CG-CE2 4.03Å; F153-Y198 HydrophobicContact CG-CG 4.21Å; F153-Y198 AromaticContact CG-CZ 3.53Å; F153-Y198 HydrophobicContact CZ-CE1 4.04Å; F194-Y198 HydrophobicContact CZ-CD2 4.39Å; F194-Y198 WeakPolarHBondContact O-CB 3.25Å; F194-Y198 PolarHBondContact O-N 3.41Å; F195-Y198 PolarHBondContact O-N 3.38Å; Y198-T200 PolarHBondContact O-N 2.91Å; Y198-V202 HydrophobicContact CD2-CB 3.8Å; Y198-V202 HydrophobicContact CD2-CG1 3.96Å; Y198-V202 HydrophobicContact CD2-CG2 4.03Å; Y198-V202 HydrophobicContact CE2-CB 4.05Å; Y198-V202 HydrophobicContact CE2-CG1 3.72Å; Y198-V202 HydrophobicContact CG-CB 4.29Å; Y198-V202 WeakPolarHBondContact O-CA 3.38Å; Y198-V202 WeakPolarHBondContact O-CB 3.42Å; Y198-V202 PolarHBondContact O-N 2.99Å; Y198-L203 HydrophobicContact CD1-CG 4.17Å; Y198-L203 HydrophobicContact CE1-CD1 4.24Å; Y198-L203 HydrophobicContact CE1-CD2 3.69Å; Y198-L203 HydrophobicContact CE1-CG 3.77Å; Y198-L203 PolarHBondContact O-N 2.78Å; Y198-L203 VanDerWaalsContact O-N 3.09Å
199V87.3Confident84.8Confident72 Ų7272 Ų7244%0.43636%0.36SS..Hα-helixtrans-66.4-40.8-178.9174.10000111.5F195 Y196 L203F195-V199 WeakPolarHBondContact O-CG2 3.43Å; F195-V199 PolarHBondContact O-N 3.41Å; Y196-V199 PolarHBondContact O-N 3.16Å; V199-L203 HydrophobicContact CB-CD1 4.33Å; V199-L203 HydrophobicContact CG1-CD1 4.24Å; V199-L203 HydrophobicContact CG2-CD1 4.19Å
200T86.5Confident83.8Confident40 Ų4068.1 Ų68.125%0.24534%0.34CS..Hα-helixtrans-79.8-27.3-175.155.40000113.8Y196 L197 Y198 K204Y196-T200 HydrophobicContact CD2-CG2 4.16Å; Y196-T200 HydrophobicContact CE1-CG2 4.47Å; Y196-T200 HydrophobicContact CE2-CG2 3.79Å; Y196-T200 WeakPolarHBondContact O-CB 3.29Å; Y196-T200 VanDerWaalsContact O-CG2 3.31Å; Y196-T200 WeakPolarHBondContact O-CG2 3.42Å; Y196-T200 PolarHBondContact O-N 2.97Å; Y196-T200 PolarHBondContact O-OG1 2.91Å; L197-T200 PolarHBondContact O-OG1 3.09Å; Y198-T200 PolarHBondContact O-N 2.91Å; T200-K204 VanDerWaalsContact O-CD 3.31Å; T200-K204 WeakPolarHBondContact O-CD 3.44Å
201R84Confident82.7Confident80 Ų8070.3 Ų70.330%0.30236%0.357SS..THydrogen-bonded Turntrans-112.9-59.8-175.6-55-171.1-179.9-168.9-4.7112.3L197 K204 G205 R206 I209L197-R201 VanDerWaalsContact O-CB 3.28Å; L197-R201 WeakPolarHBondContact O-CB 3.42Å; L197-R201 PolarHBondContact O-N 3.44Å; R201-K204 CarbonylContact O-C 3.59Å; R201-K204 PolarHBondContact O-N 3.2Å; R201-K204 VanDerWaalsContact O-N 3.11Å; R201-G205 PolarHBondContact O-N 2.83Å; R201-R206 CarbonylContact C-O 3.31Å; R201-R206 HydrophobicContact CB-CB 4.23Å; R201-R206 WeakPolarHBondContact O-CA 3.39Å; R201-R206 WeakPolarHBondContact O-CB 3.33Å; R201-R206 PolarHBondContact O-N 3.26Å; R201-I209 PolarHBondContact NH1-O 3.23Å
202V85.5Confident81.3Confident13 Ų1379.6 Ų79.68%0.07941%0.414CS..G310 helixtrans-66.4-45.3-171-177.40000111.9T146 A149 Y198 K204 G205 R206 L208T146-V202 HydrophobicContact CG2-CG1 4.14Å; A149-V202 HydrophobicContact CB-CG1 4.31Å; A149-V202 HydrophobicContact CB-CG2 4.04Å; Y198-V202 HydrophobicContact CD2-CB 3.8Å; Y198-V202 HydrophobicContact CD2-CG1 3.96Å; Y198-V202 HydrophobicContact CD2-CG2 4.03Å; Y198-V202 HydrophobicContact CE2-CB 4.05Å; Y198-V202 HydrophobicContact CE2-CG1 3.72Å; Y198-V202 HydrophobicContact CG-CB 4.29Å; Y198-V202 WeakPolarHBondContact O-CA 3.38Å; Y198-V202 WeakPolarHBondContact O-CB 3.42Å; Y198-V202 PolarHBondContact O-N 2.99Å; V202-K204 PolarHBondContact O-N 3.44Å; V202-G205 PolarHBondContact O-N 3.4Å; V202-R206 WeakPolarHBondContact CA-O 3.28Å; V202-L208 HydrophobicContact CG2-CB 3.74Å; V202-L208 HydrophobicContact CG2-CD1 3.91Å; V202-L208 HydrophobicContact CG2-CG 4.37Å
203L82.1Confident80.9Confident108 Ų10879.4 Ų79.457%0.56541%0.413SS*.G310 helixtrans-63.5-22.1176.6-68.7-176.1000113.3Y198 V199 G205Y198-L203 HydrophobicContact CD1-CG 4.17Å; Y198-L203 HydrophobicContact CE1-CD1 4.24Å; Y198-L203 HydrophobicContact CE1-CD2 3.69Å; Y198-L203 HydrophobicContact CE1-CG 3.77Å; Y198-L203 PolarHBondContact O-N 2.78Å; Y198-L203 VanDerWaalsContact O-N 3.09Å; V199-L203 HydrophobicContact CB-CD1 4.33Å; V199-L203 HydrophobicContact CG1-CD1 4.24Å; V199-L203 HydrophobicContact CG2-CD1 4.19Å; L203-G205 VanDerWaalsContact C-N 3.28Å
204K84.9Confident80.6Confident143 Ų14377.2 Ų77.262%0.62240%0.401SS*.G310 helixtrans-9010.9174.7-58.5-171.2-173.6174.80112.9T200 R201 V202 R206T200-K204 VanDerWaalsContact O-CD 3.31Å; T200-K204 WeakPolarHBondContact O-CD 3.44Å; R201-K204 CarbonylContact O-C 3.59Å; R201-K204 PolarHBondContact O-N 3.2Å; R201-K204 VanDerWaalsContact O-N 3.11Å; V202-K204 PolarHBondContact O-N 3.44Å; K204-R206 VanDerWaalsContact C-N 3.26Å; K204-R206 PolarHBondContact O-N 2.99Å
205G81Confident80.2Confident74 Ų7480.9 Ų80.976%0.76342%0.42SS*.THydrogen-bonded Turntrans72.812.9-178.100000114.6R201 V202 L203R201-G205 PolarHBondContact O-N 2.83Å; V202-G205 PolarHBondContact O-N 3.4Å; L203-G205 VanDerWaalsContact C-N 3.28Å
206R79.7Confident79.7Confident169 Ų16982.9 Ų82.964%0.63843%0.433SS*.  trans-92.4149.5176.5-56.9179.4-179.6-179.5-2.4109.9R201 V202 K204R201-R206 CarbonylContact C-O 3.31Å; R201-R206 HydrophobicContact CB-CB 4.23Å; R201-R206 WeakPolarHBondContact O-CA 3.39Å; R201-R206 WeakPolarHBondContact O-CB 3.33Å; R201-R206 PolarHBondContact O-N 3.26Å; V202-R206 WeakPolarHBondContact CA-O 3.28Å; K204-R206 VanDerWaalsContact C-N 3.26Å; K204-R206 PolarHBondContact O-N 2.99Å
207Q75.5Confident79.2Confident121 Ų12178.4 Ų78.457%0.56542%0.422SS*.  trans-63.6144.9174.4-72177.8-38.700111I209Q207-I209 HydrophobicContact CB-CG1 4.37Å; Q207-I209 PolarHBondContact O-N 2.96Å; Q207-I209 VanDerWaalsContact O-N 3.07Å
208L76.1Confident78.8Confident2 Ų282.8 Ų82.81%0.0145%0.446CS..EExtended strand (participates in β ladder)trans-76.398172.6-170.2142.9000107.7I138 E143 A144 A149 F194 L197 V202 L210I138-L208 HydrophobicContact CG2-CD2 3.83Å; E143-L208 CarbonylContact C-O 3.57Å; E143-L208 WeakPolarHBondContact CA-O 3.33Å; A144-L208 HydrophobicContact CB-CB 4.21Å; A144-L208 HydrophobicContact CB-CD2 3.85Å; A144-L208 PolarHBondContact N-O 2.94Å; A149-L208 HydrophobicContact CB-CD1 4.32Å; F194-L208 HydrophobicContact CD2-CD1 4.18Å; F194-L208 HydrophobicContact CE2-CD1 3.57Å; F194-L208 HydrophobicContact CZ-CD1 4.12Å; L197-L208 HydrophobicContact CB-CD1 4.38Å; V202-L208 HydrophobicContact CG2-CB 3.74Å; V202-L208 HydrophobicContact CG2-CD1 3.91Å; V202-L208 HydrophobicContact CG2-CG 4.37Å; L208-L210 HydrophobicContact CD2-CG 4.39Å
209I74.4Confident78.2Confident75 Ų7587.9 Ų87.939%0.38548%0.475SS..EExtended strand (participates in β ladder)trans-100.7136.6171.6-56.8168.2000107.1G142 E143 R201 Q207G142-I209 CarbonylContact O-C 3.49Å; G142-I209 WeakPolarHBondContact O-CA 3.45Å; G142-I209 WeakPolarHBondContact O-CG2 3.45Å; E143-I209 HydrophobicContact CG-CG1 4.35Å; R201-I209 PolarHBondContact NH1-O 3.23Å; Q207-I209 HydrophobicContact CB-CG1 4.37Å; Q207-I209 PolarHBondContact O-N 2.96Å; Q207-I209 VanDerWaalsContact O-N 3.07Å
210L70.2Confident77.5Confident38 Ų3889.2 Ų89.220%0.19948%0.478CS..PPolyproline II helixtrans-92.3135.4169.3-78.6168.1000109.4I138 G142 L197 L208 V212I138-L210 HydrophobicContact CB-CD1 4.26Å; I138-L210 HydrophobicContact CG2-CD1 3.64Å; I138-L210 HydrophobicContact CG2-CG 4.39Å; G142-L210 PolarHBondContact O-N 3.08Å; L197-L210 HydrophobicContact CD1-CD2 3.11Å; L197-L210 HydrophobicContact CD1-CG 4.27Å; L208-L210 HydrophobicContact CD2-CG 4.39Å; L210-V212 PolarHBondContact O-N 3.22Å
211P68Low76.7Confident99 Ų9993.3 Ų93.364%0.64350%0.497SS*.PPolyproline II helixtrans-63.5124.8165.727.9-29.5000108
212V59.6Low76.1Confident197 Ų19794.5 Ų94.5100%1.19452%0.515SS*.  trans-810178-158.50000110.1L210L210-V212 PolarHBondContact O-N 3.22Å

Retrieved 212 of 212 residues in 226.4 ms (Link to these results)

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