A0A077Z6A3_TRITR Loading...

ER lumen protein-retaining receptor

AlphaFold DB , UniProt , Accession A0A077Z6A3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 212 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M76.8Confident89.9Confident131 Ų13156.9 Ų56.965%0.64529%0.292SS*.  0117.50-172.2137.868.700107.2R5 Y59M1-R5 HydrophobicContact CG-CG 4.48Å; M1-Y59 HydrophobicContact CE-CD1 3.23Å; M1-Y59 HydrophobicContact CE-CD2 4.17Å; M1-Y59 HydrophobicContact CE-CE1 3.6Å; M1-Y59 HydrophobicContact CE-CE2 4.46Å; M1-Y59 HydrophobicContact CE-CG 3.55Å; M1-Y59 HydrophobicContact SD-CD1 3.58Å; M1-Y59 VanDerWaalsContact SD-CD1 3.58Å; M1-Y59 HydrophobicContact SD-CE1 3.51Å; M1-Y59 VanDerWaalsContact SD-CE1 3.51Å; M1-Y59 HydrophobicContact SD-CG 4.47Å
2N85.7Confident90.4Very high16 Ų1652.9 Ų52.99%0.08627%0.271CS..  trans-93168.2-179.963.448.1000111.2F4 R5 L6 N165 Y168N2-F4 VanDerWaalsContact C-N 3.29Å; N2-F4 PolarHBondContact O-N 3.45Å; N2-F4 PolarHBondContact OD1-N 2.98Å; N2-R5 PolarHBondContact O-N 3.47Å; N2-R5 WeakPolarHBondContact OD1-CB 3.34Å; N2-R5 PolarHBondContact OD1-N 3.14Å; N2-L6 PolarHBondContact O-N 2.83Å; N2-N165 VanDerWaalsContact CG-OD1 3.3Å; N2-N165 PolarHBondContact ND2-OD1 3.03Å; N2-N165 PolarHBondContact OD1-OD1 2.89Å; N2-Y168 HydrophobicContact CB-CD1 4.02Å; N2-Y168 HydrophobicContact CB-CE1 3.81Å; N2-Y168 WeakPolarHBondContact ND2-CD1 3.37Å
3I88.9Confident90.7Very high120 Ų12051.3 Ų51.362%0.61526%0.263SS*.Hα-helixtrans-61.5-36-176-167.967000112.6L6 A7I3-L6 PolarHBondContact O-N 3.49Å; I3-A7 WeakPolarHBondContact O-CB 3.33Å; I3-A7 PolarHBondContact O-N 3.38Å
4F88.9Confident91.1Very high67 Ų6754.4 Ų54.429%0.29428%0.279SS..Hα-helixtrans-68.3-41.5-179.5-61.5-68000112N2 A7 G8 L164 N165 Y168N2-F4 VanDerWaalsContact C-N 3.29Å; N2-F4 PolarHBondContact O-N 3.45Å; N2-F4 PolarHBondContact OD1-N 2.98Å; F4-A7 PolarHBondContact O-N 2.87Å; F4-G8 PolarHBondContact O-N 3.08Å; F4-L164 HydrophobicContact CD1-CB 3.89Å; F4-L164 HydrophobicContact CD1-CD1 4.32Å; F4-L164 HydrophobicContact CE1-CB 4.24Å; F4-L164 HydrophobicContact CE1-CD1 4.28Å; F4-L164 HydrophobicContact CG-CB 4.25Å; F4-N165 HydrophobicContact CB-CB 3.64Å; F4-Y168 HydrophobicContact CD2-CD2 4.25Å; F4-Y168 HydrophobicContact CD2-CG 4.2Å; F4-Y168 AromaticContact CE2-CD2 3.93Å; F4-Y168 HydrophobicContact CE2-CD2 3.93Å; F4-Y168 HydrophobicContact CE2-CG 4.3Å
5R88.7Confident91.4Very high77 Ų7750.7 Ų50.729%0.29126%0.261SS..Hα-helixtrans-61.4-46.7174.1-177.8173177.31680.7111.3M1 N2 G8 D9M1-R5 HydrophobicContact CG-CG 4.48Å; N2-R5 PolarHBondContact O-N 3.47Å; N2-R5 WeakPolarHBondContact OD1-CB 3.34Å; N2-R5 PolarHBondContact OD1-N 3.14Å; R5-G8 PolarHBondContact O-N 3.1Å; R5-D9 WeakPolarHBondContact O-CB 3.44Å; R5-D9 VanDerWaalsContact O-CG 3.29Å; R5-D9 PolarHBondContact O-N 2.87Å
6L91.2Very high91.7Very high60 Ų6048.3 Ų48.331%0.31425%0.248SC..Hα-helixtrans-61.2-46.2177.7-17863.9000111.3N2 I3 G8 D9 L10 Y59N2-L6 PolarHBondContact O-N 2.83Å; I3-L6 PolarHBondContact O-N 3.49Å; L6-G8 VanDerWaalsContact C-N 3.34Å; L6-G8 PolarHBondContact O-N 3.4Å; L6-D9 PolarHBondContact O-N 3.16Å; L6-L10 HydrophobicContact CD1-CD1 4.21Å; L6-L10 HydrophobicContact CD1-CG 4.34Å; L6-L10 HydrophobicContact CG-CD1 4.07Å; L6-L10 WeakPolarHBondContact O-CB 3.29Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 2.69Å; L6-Y59 HydrophobicContact CD1-CE2 3.9Å; L6-Y59 WeakPolarHBondContact CD1-OH 3.42Å
7A92.5Very high91.9Very high40 Ų4049.9 Ų49.933%0.33126%0.257SS..Hα-helixtrans-62-41.2177.100000112.2I3 F4 L10 S11 L161I3-A7 WeakPolarHBondContact O-CB 3.33Å; I3-A7 PolarHBondContact O-N 3.38Å; F4-A7 PolarHBondContact O-N 2.87Å; A7-L10 PolarHBondContact O-N 3.38Å; A7-S11 WeakPolarHBondContact O-CB 3.29Å; A7-S11 PolarHBondContact O-N 3Å; A7-L161 HydrophobicContact CB-CD1 4.09Å
8G93.8Very high92.1Very high0 Ų049.1 Ų49.10%025%0.254CS..Hα-helixtrans-60.3-51.4174.100000111.9F4 R5 L6 L10 S11 H12 Y158F4-G8 PolarHBondContact O-N 3.08Å; R5-G8 PolarHBondContact O-N 3.1Å; L6-G8 VanDerWaalsContact C-N 3.34Å; L6-G8 PolarHBondContact O-N 3.4Å; G8-L10 VanDerWaalsContact C-N 3.32Å; G8-L10 PolarHBondContact O-N 2.93Å; G8-S11 PolarHBondContact O-N 3.2Å; G8-H12 PolarHBondContact O-N 2.96Å; G8-Y158 VanDerWaalsContact O-CB 3.31Å; G8-Y158 WeakPolarHBondContact O-CB 3.4Å
9D93.9Very high92.3Very high9 Ų946.6 Ų46.65%0.04824%0.241CC..Hα-helixtrans-57.2-44.8178.2-73.1-15.2000112.3R5 L6 H12 L13 Y59 M63 Y162R5-D9 WeakPolarHBondContact O-CB 3.44Å; R5-D9 VanDerWaalsContact O-CG 3.29Å; R5-D9 PolarHBondContact O-N 2.87Å; L6-D9 PolarHBondContact O-N 3.16Å; D9-H12 PolarHBondContact O-N 2.84Å; D9-L13 WeakPolarHBondContact O-CB 3.37Å; D9-L13 PolarHBondContact O-N 3.2Å; D9-Y59 WeakPolarHBondContact CB-OH 3.44Å; D9-Y59 WeakPolarHBondContact OD2-CE1 3.32Å; D9-Y59 PolarHBondContact OD2-OH 3.49Å; D9-M63 HydrophobicContact CB-CE 4.11Å; D9-Y162 PolarHBondContact OD1-OH 3.3Å
10L93.9Very high92.5Very high89 Ų8945.8 Ų45.847%0.46624%0.237SC..Hα-helixtrans-68.5-37.6178.4-67.9176.4000112.4L6 A7 G8 H12 L13 L14L6-L10 HydrophobicContact CD1-CD1 4.21Å; L6-L10 HydrophobicContact CD1-CG 4.34Å; L6-L10 HydrophobicContact CG-CD1 4.07Å; L6-L10 WeakPolarHBondContact O-CB 3.29Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 2.69Å; A7-L10 PolarHBondContact O-N 3.38Å; G8-L10 VanDerWaalsContact C-N 3.32Å; G8-L10 PolarHBondContact O-N 2.93Å; L10-H12 VanDerWaalsContact C-N 3.33Å; L10-L13 PolarHBondContact O-N 3.46Å; L10-L14 VanDerWaalsContact O-CB 3.28Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 PolarHBondContact O-N 2.79Å
11S94.5Very high92.6Very high17 Ų1746.6 Ų46.612%0.11924%0.244CC..Hα-helixtrans-63.9-39.8174.1-172.50000111.6A7 G8 L14 A15 A154 Y158A7-S11 WeakPolarHBondContact O-CB 3.29Å; A7-S11 PolarHBondContact O-N 3Å; G8-S11 PolarHBondContact O-N 3.2Å; S11-L14 PolarHBondContact O-N 2.87Å; S11-A15 PolarHBondContact O-N 2.84Å; S11-A154 PolarHBondContact OG-O 3.11Å; S11-Y158 PolarHBondContact OG-N 3.11Å
12H95.7Very high93.5Very high9 Ų940.6 Ų40.64%0.04221%0.214CC..Hα-helixtrans-66.5-46.4176.5-163.6167.5000111G8 D9 L10 L14 A15 I16 F44 F67 E127 Y158G8-H12 PolarHBondContact O-N 2.96Å; D9-H12 PolarHBondContact O-N 2.84Å; L10-H12 VanDerWaalsContact C-N 3.33Å; H12-L14 VanDerWaalsContact C-N 3.3Å; H12-L14 PolarHBondContact O-N 3.26Å; H12-A15 WeakPolarHBondContact O-CB 3.4Å; H12-A15 PolarHBondContact O-N 3.48Å; H12-A15 VanDerWaalsContact O-N 3.16Å; H12-I16 PolarHBondContact O-N 3.25Å; H12-I16 VanDerWaalsContact O-N 3.11Å; H12-F44 AromaticContact CE1-CE1 3.91Å; H12-F44 AromaticContact CE1-CZ 3.4Å; H12-F44 VanDerWaalsContact CE1-CZ 3.4Å; H12-F44 WeakPolarHBondContact CE1-CZ 3.25Å; H12-F44 AromaticContact NE2-CZ 3.59Å; H12-F67 HydrophobicContact CB-CE1 4.18Å; H12-F67 HydrophobicContact CB-CZ 4.1Å; H12-E127 IonicContact CE1-OE1 3.52Å; H12-Y158 HydrophobicContact CB-CD1 4.02Å; H12-Y158 HydrophobicContact CB-CD2 4.25Å; H12-Y158 HydrophobicContact CB-CG 3.8Å; H12-Y158 AromaticContact CE1-CE1 3.94Å; H12-Y158 AromaticContact CE1-CZ 3.73Å; H12-Y158 AromaticContact CG-CD1 3.86Å; H12-Y158 AromaticContact CG-CG 3.98Å; H12-Y158 AromaticContact ND1-CD2 3.93Å; H12-Y158 AromaticContact ND1-CE2 3.79Å; H12-Y158 AromaticContact ND1-CZ 3.91Å; H12-Y158 AromaticContact NE2-CE1 3.98Å
13L95.4Very high94Very high32 Ų3239.9 Ų39.917%0.16821%0.21CC..Hα-helixtrans-59.4-43.1175.6-179.959.7000111.4D9 L10 A15 I16 I17 M63 V66 F67D9-L13 WeakPolarHBondContact O-CB 3.37Å; D9-L13 PolarHBondContact O-N 3.2Å; L10-L13 PolarHBondContact O-N 3.46Å; L13-A15 VanDerWaalsContact C-N 3.34Å; L13-A15 PolarHBondContact O-N 3.38Å; L13-I16 PolarHBondContact O-N 3.24Å; L13-I17 HydrophobicContact CD1-CD1 4.01Å; L13-I17 HydrophobicContact CD1-CG1 4.25Å; L13-I17 HydrophobicContact CD2-CD1 4.48Å; L13-I17 HydrophobicContact CG-CD1 3.82Å; L13-I17 HydrophobicContact CG-CG1 4.45Å; L13-I17 VanDerWaalsContact O-CG1 3.31Å; L13-I17 WeakPolarHBondContact O-CG1 3.5Å; L13-I17 PolarHBondContact O-N 2.96Å; L13-M63 HydrophobicContact CB-CE 4.1Å; L13-M63 HydrophobicContact CD2-CE 4.1Å; L13-M63 HydrophobicContact CD2-SD 4.28Å; L13-V66 HydrophobicContact CD1-CG1 3.57Å; L13-F67 HydrophobicContact CB-CE1 4.14Å; L13-F67 HydrophobicContact CD1-CE1 4.5Å
14L95.2Very high94.3Very high94 Ų9440.1 Ų40.149%0.49220%0.204SC..Hα-helixtrans-58.5-45.4175.117964000111.4L10 S11 H12 I16 I17 V18L10-L14 VanDerWaalsContact O-CB 3.28Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 PolarHBondContact O-N 2.79Å; S11-L14 PolarHBondContact O-N 2.87Å; H12-L14 VanDerWaalsContact C-N 3.3Å; H12-L14 PolarHBondContact O-N 3.26Å; L14-I16 VanDerWaalsContact C-N 3.32Å; L14-I16 PolarHBondContact O-N 3.49Å; L14-I17 PolarHBondContact O-N 2.99Å; L14-V18 HydrophobicContact CD1-CG2 4.06Å; L14-V18 HydrophobicContact CG-CG2 4.31Å; L14-V18 WeakPolarHBondContact O-CB 3.25Å; L14-V18 VanDerWaalsContact O-CG2 3.25Å; L14-V18 WeakPolarHBondContact O-CG2 3.48Å; L14-V18 PolarHBondContact O-N 3.46Å
15A96Very high94.6Very high0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-56.8-47.3177.500000111.5S11 H12 L13 V18 L19 Y151 A154 L155S11-A15 PolarHBondContact O-N 2.84Å; H12-A15 WeakPolarHBondContact O-CB 3.4Å; H12-A15 PolarHBondContact O-N 3.48Å; H12-A15 VanDerWaalsContact O-N 3.16Å; L13-A15 VanDerWaalsContact C-N 3.34Å; L13-A15 PolarHBondContact O-N 3.38Å; A15-V18 PolarHBondContact O-N 3.27Å; A15-L19 PolarHBondContact O-N 3.17Å; A15-Y151 HydrophobicContact CB-CD2 4.14Å; A15-Y151 WeakPolarHBondContact O-CD2 3.35Å; A15-A154 HydrophobicContact CB-CB 3.75Å; A15-L155 HydrophobicContact CB-CB 3.99Å; A15-L155 HydrophobicContact CB-CD1 4.11Å
16I95.8Very high94.9Very high11 Ų1144.1 Ų44.16%0.05623%0.23CC..Hα-helixtrans-65.6-41.8179.8-68.2167.6000111.4H12 L13 L14 L19 L20 F67 C70H12-I16 PolarHBondContact O-N 3.25Å; H12-I16 VanDerWaalsContact O-N 3.11Å; L13-I16 PolarHBondContact O-N 3.24Å; L14-I16 VanDerWaalsContact C-N 3.32Å; L14-I16 PolarHBondContact O-N 3.49Å; I16-L19 PolarHBondContact O-N 3.4Å; I16-L20 HydrophobicContact CG2-CD1 4.16Å; I16-L20 WeakPolarHBondContact O-CG 3.28Å; I16-L20 PolarHBondContact O-N 2.86Å; I16-F67 HydrophobicContact CD1-CD1 3.46Å; I16-F67 VanDerWaalsContact CD1-CD1 3.46Å; I16-F67 HydrophobicContact CD1-CE1 3.84Å; I16-C70 HydrophobicContact CG2-CB 3.37Å
17I95.1Very high95.1Very high77 Ų7747.3 Ų47.340%0.39524%0.238SC..Hα-helixtrans-63.5-45.7176.2-69.5170.1000110.7L13 L14 L19 L20 V21L13-I17 HydrophobicContact CD1-CD1 4.01Å; L13-I17 HydrophobicContact CD1-CG1 4.25Å; L13-I17 HydrophobicContact CD2-CD1 4.48Å; L13-I17 HydrophobicContact CG-CD1 3.82Å; L13-I17 HydrophobicContact CG-CG1 4.45Å; L13-I17 VanDerWaalsContact O-CG1 3.31Å; L13-I17 WeakPolarHBondContact O-CG1 3.5Å; L13-I17 PolarHBondContact O-N 2.96Å; L14-I17 PolarHBondContact O-N 2.99Å; I17-L19 VanDerWaalsContact C-N 3.28Å; I17-L19 PolarHBondContact O-N 2.67Å; I17-L20 PolarHBondContact O-N 3.22Å; I17-V21 HydrophobicContact CG2-CG2 4.15Å; I17-V21 WeakPolarHBondContact O-CB 3.47Å; I17-V21 VanDerWaalsContact O-CG2 3.26Å; I17-V21 WeakPolarHBondContact O-CG2 3.26Å; I17-V21 PolarHBondContact O-N 3.21Å
18V95.1Very high95.2Very high34 Ų3446.7 Ų46.721%0.20623%0.231CC..Hα-helixtrans-58.5-43.4177.7169.50000110.6L14 A15 V21 K22 I147L14-V18 HydrophobicContact CD1-CG2 4.06Å; L14-V18 HydrophobicContact CG-CG2 4.31Å; L14-V18 WeakPolarHBondContact O-CB 3.25Å; L14-V18 VanDerWaalsContact O-CG2 3.25Å; L14-V18 WeakPolarHBondContact O-CG2 3.48Å; L14-V18 PolarHBondContact O-N 3.46Å; A15-V18 PolarHBondContact O-N 3.27Å; V18-V21 PolarHBondContact O-N 3.42Å; V18-K22 WeakPolarHBondContact O-CB 3.28Å; V18-K22 PolarHBondContact O-N 3.48Å; V18-I147 HydrophobicContact CG1-CG2 3.92Å
19L96.5Very high95.2Very high3 Ų346.7 Ų46.72%0.01623%0.231CC..Hα-helixtrans-62.5-47.7176.6-178.763.1000112.2A15 I16 I17 V21 K22 I23 I32 Q37 T74 Y151A15-L19 PolarHBondContact O-N 3.17Å; I16-L19 PolarHBondContact O-N 3.4Å; I17-L19 VanDerWaalsContact C-N 3.28Å; I17-L19 PolarHBondContact O-N 2.67Å; L19-V21 PolarHBondContact O-N 2.98Å; L19-K22 WeakPolarHBondContact O-CB 3.39Å; L19-K22 PolarHBondContact O-N 2.89Å; L19-I23 HydrophobicContact CD1-CD1 4.1Å; L19-I23 HydrophobicContact CD1-CG1 4.48Å; L19-I23 HydrophobicContact CG-CD1 4.06Å; L19-I23 WeakPolarHBondContact O-CG1 3.43Å; L19-I23 PolarHBondContact O-N 3.36Å; L19-I32 HydrophobicContact CD1-CD1 3.68Å; L19-I32 HydrophobicContact CD1-CG1 3.91Å; L19-I32 HydrophobicContact CD1-CG2 3.94Å; L19-Q37 VanDerWaalsContact CD2-CD 3.5Å; L19-Q37 HydrophobicContact CD2-CG 4.38Å; L19-Q37 VanDerWaalsContact CD2-OE1 3.31Å; L19-T74 HydrophobicContact CD2-CG2 3.75Å; L19-T74 HydrophobicContact CG-CG2 4.36Å; L19-Y151 HydrophobicContact CB-CD2 3.89Å; L19-Y151 HydrophobicContact CB-CE2 4.23Å; L19-Y151 HydrophobicContact CB-CG 4.28Å; L19-Y151 HydrophobicContact CD1-CD1 4.36Å; L19-Y151 HydrophobicContact CD1-CE1 4.48Å; L19-Y151 HydrophobicContact CD1-CG 4.43Å; L19-Y151 HydrophobicContact CD2-CD2 4.46Å; L19-Y151 HydrophobicContact CD2-CE2 3.99Å
20L96.6Very high95Very high30 Ų3047.8 Ų47.816%0.15724%0.242CC..Hα-helixtrans-62.2-43.5178-76.7173000111.8I16 I17 K22 I23 W24 C70 V73 T74 L77I16-L20 HydrophobicContact CG2-CD1 4.16Å; I16-L20 WeakPolarHBondContact O-CG 3.28Å; I16-L20 PolarHBondContact O-N 2.86Å; I17-L20 PolarHBondContact O-N 3.22Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 2.85Å; L20-I23 PolarHBondContact O-N 2.75Å; L20-W24 VanDerWaalsContact O-CB 3.25Å; L20-W24 WeakPolarHBondContact O-CB 3.33Å; L20-W24 PolarHBondContact O-N 3.25Å; L20-C70 HydrophobicContact CD1-CB 3.91Å; L20-V73 HydrophobicContact CD2-CB 4.47Å; L20-V73 HydrophobicContact CD2-CG1 3.82Å; L20-T74 VanDerWaalsContact CD2-OG1 3.27Å; L20-T74 WeakPolarHBondContact CD2-OG1 3.5Å; L20-L77 HydrophobicContact CD2-CD1 3.88Å
21V95.2Very high94.9Very high63 Ų6344.5 Ų44.538%0.38223%0.229SC..Hα-helixtrans-62.6-41.9176.2169.80000110.6I17 V18 L19 W24 K25I17-V21 HydrophobicContact CG2-CG2 4.15Å; I17-V21 WeakPolarHBondContact O-CB 3.47Å; I17-V21 VanDerWaalsContact O-CG2 3.26Å; I17-V21 WeakPolarHBondContact O-CG2 3.26Å; I17-V21 PolarHBondContact O-N 3.21Å; V18-V21 PolarHBondContact O-N 3.42Å; L19-V21 PolarHBondContact O-N 2.98Å; V21-W24 PolarHBondContact O-N 3.2Å; V21-K25 HydrophobicContact CG1-CD 3.74Å; V21-K25 HydrophobicContact CG1-CG 4.14Å; V21-K25 VanDerWaalsContact O-CB 3.29Å; V21-K25 WeakPolarHBondContact O-CB 2.91Å; V21-K25 WeakPolarHBondContact O-CG 3.27Å; V21-K25 PolarHBondContact O-N 3.4Å
22K94.5Very high94.9Very high5 Ų543.7 Ų43.72%0.02222%0.224CC..Hα-helixtrans-54.7-58.7174.4-174.8-88.8-178.6-174.90109.8V18 L19 L20 W24 K25 S26 S28 A30 I32 E145 I147V18-K22 WeakPolarHBondContact O-CB 3.28Å; V18-K22 PolarHBondContact O-N 3.48Å; L19-K22 WeakPolarHBondContact O-CB 3.39Å; L19-K22 PolarHBondContact O-N 2.89Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 2.85Å; K22-W24 VanDerWaalsContact C-N 3.32Å; K22-W24 PolarHBondContact O-N 3.27Å; K22-K25 PolarHBondContact O-N 2.71Å; K22-S26 WeakPolarHBondContact O-CB 3.42Å; K22-S26 PolarHBondContact O-N 3.12Å; K22-S26 PolarHBondContact O-OG 3.49Å; K22-S28 PolarHBondContact NZ-O 2.86Å; K22-S28 VanDerWaalsContact NZ-O 3.08Å; K22-A30 PolarHBondContact NZ-O 3.4Å; K22-I32 HydrophobicContact CD-CG1 4.27Å; K22-E145 WeakPolarHBondContact CE-OE2 3.45Å; K22-E145 IonicContact NZ-OE2 3.67Å; K22-I147 HydrophobicContact CB-CG2 3.64Å; K22-I147 HydrophobicContact CG-CB 4.12Å; K22-I147 HydrophobicContact CG-CG2 3.72Å
23I96Very high95Very high0 Ų043.3 Ų43.30%022%0.222CC..Hα-helixtrans-61.2-42.3-176.2-65.2167.6000111L19 L20 R27 S28 T74 L77 M78 F82L19-I23 HydrophobicContact CD1-CD1 4.1Å; L19-I23 HydrophobicContact CD1-CG1 4.48Å; L19-I23 HydrophobicContact CG-CD1 4.06Å; L19-I23 WeakPolarHBondContact O-CG1 3.43Å; L19-I23 PolarHBondContact O-N 3.36Å; L20-I23 PolarHBondContact O-N 2.75Å; I23-R27 VanDerWaalsContact O-CA 3.29Å; I23-R27 WeakPolarHBondContact O-CA 3.38Å; I23-R27 PolarHBondContact O-N 3.15Å; I23-S28 PolarHBondContact O-N 3.49Å; I23-T74 HydrophobicContact CD1-CG2 4.04Å; I23-L77 HydrophobicContact CG2-CB 3.89Å; I23-L77 HydrophobicContact CG2-CD1 3.98Å; I23-M78 HydrophobicContact CD1-CG 4.27Å; I23-F82 HydrophobicContact CG2-CD2 3.61Å; I23-F82 HydrophobicContact CG2-CE2 3.94Å
24W95.2Very high95Very high126 Ų12641.8 Ų41.848%0.47721%0.214SC..Hα-helixtrans-71-44-176.9-172.4-96.6000113.3L20 V21 K22 R27 L77L20-W24 VanDerWaalsContact O-CB 3.25Å; L20-W24 WeakPolarHBondContact O-CB 3.33Å; L20-W24 PolarHBondContact O-N 3.25Å; V21-W24 PolarHBondContact O-N 3.2Å; K22-W24 VanDerWaalsContact C-N 3.32Å; K22-W24 PolarHBondContact O-N 3.27Å; W24-R27 WeakPolarHBondContact O-CD 3.35Å; W24-L77 HydrophobicContact CE3-CD2 4.34Å; W24-L77 HydrophobicContact CZ3-CD2 4.38Å
25K95.4Very high95.1Very high170 Ų17040.1 Ų40.174%0.73920%0.201SC*.Hα-helixtrans-74.8-41.2-178.5-72.8-171.7175.7-178.40112.3V21 K22 R27V21-K25 HydrophobicContact CG1-CD 3.74Å; V21-K25 HydrophobicContact CG1-CG 4.14Å; V21-K25 VanDerWaalsContact O-CB 3.29Å; V21-K25 WeakPolarHBondContact O-CB 2.91Å; V21-K25 WeakPolarHBondContact O-CG 3.27Å; V21-K25 PolarHBondContact O-N 3.4Å; K22-K25 PolarHBondContact O-N 2.71Å; K25-R27 PolarHBondContact O-N 3.16Å
26S94.6Very high95.2Very high58 Ų5840.1 Ų40.141%0.40620%0.201SC..Hα-helixtrans-76.6-14.9177.171.90000112.8K22 S28K22-S26 WeakPolarHBondContact O-CB 3.42Å; K22-S26 PolarHBondContact O-N 3.12Å; K22-S26 PolarHBondContact O-OG 3.49Å; S26-S28 PolarHBondContact O-N 3.11Å; S26-S28 VanDerWaalsContact O-N 3.14Å; S26-S28 PolarHBondContact OG-N 3.49Å; S26-S28 VanDerWaalsContact OG-N 3.1Å; S26-S28 PolarHBondContact OG-O 3.36Å
27R95.9Very high95.3Very high126 Ų12640 Ų4048%0.47520%0.2SC..THydrogen-bonded Turntrans53.427.6-169.7-57.2-68.5-165.5-174.46.5112.1I23 W24 K25 F82I23-R27 VanDerWaalsContact O-CA 3.29Å; I23-R27 WeakPolarHBondContact O-CA 3.38Å; I23-R27 PolarHBondContact O-N 3.15Å; W24-R27 WeakPolarHBondContact O-CD 3.35Å; K25-R27 PolarHBondContact O-N 3.16Å; R27-F82 HydrophobicContact CB-CD1 4.42Å; R27-F82 HydrophobicContact CB-CE1 3.89Å; R27-F82 HydrophobicContact CB-CZ 4.34Å; R27-F82 HydrophobicContact CG-CE1 4.42Å; R27-F82 WeakPolarHBondContact O-CD1 3.48Å
28S94.5Very high95.4Very high27 Ų2738 Ų3819%0.18920%0.195CC..  trans-146.4134.8-170.6176.60000113.2K22 I23 S26 A30 T85K22-S28 PolarHBondContact NZ-O 2.86Å; K22-S28 VanDerWaalsContact NZ-O 3.08Å; I23-S28 PolarHBondContact O-N 3.49Å; S26-S28 PolarHBondContact O-N 3.11Å; S26-S28 VanDerWaalsContact O-N 3.14Å; S26-S28 PolarHBondContact OG-N 3.49Å; S26-S28 VanDerWaalsContact OG-N 3.1Å; S26-S28 PolarHBondContact OG-O 3.36Å; S28-A30 WeakPolarHBondContact OG-CB 3.42Å; S28-A30 PolarHBondContact OG-N 2.94Å; S28-A30 VanDerWaalsContact OG-N 3.16Å; S28-T85 WeakPolarHBondContact CA-OG1 3.23Å
29C93.4Very high95.6Very high0 Ų036.8 Ų36.80%019%0.187CC..  trans-94.86.6175-62.60000112.9I32 M78 T85C29-I32 PolarHBondContact O-N 3.34Å; C29-M78 HydrophobicContact CB-CE 4.16Å; C29-M78 HydrophobicContact CB-CG 4.27Å; C29-T85 PolarHBondContact N-OG1 2.89Å
30A91.5Very high95.7Very high33 Ų3336.9 Ų36.927%0.27319%0.188SC..THydrogen-bonded Turntrans-56139.317700000111.6K22 S28 I32 T85K22-A30 PolarHBondContact NZ-O 3.4Å; S28-A30 WeakPolarHBondContact OG-CB 3.42Å; S28-A30 PolarHBondContact OG-N 2.94Å; S28-A30 VanDerWaalsContact OG-N 3.16Å; A30-I32 PolarHBondContact O-N 2.86Å; A30-T85 PolarHBondContact N-O 2.93Å
31G91.4Very high95.8Very high19 Ų1935.8 Ų35.820%0.19618%0.183CC..THydrogen-bonded Turntrans71.44.2-178.800000115.7Q134 M137G31-Q134 PolarHBondContact O-NE2 2.64Å; G31-M137 WeakPolarHBondContact O-CE 3.33Å
32I94.9Very high95.9Very high1 Ų136 Ų361%0.00518%0.184CC..SBendtrans-111129.7169.4-52.9-59.2000110.3L19 K22 C29 A30 G34 Q37 M78 M137 T148L19-I32 HydrophobicContact CD1-CD1 3.68Å; L19-I32 HydrophobicContact CD1-CG1 3.91Å; L19-I32 HydrophobicContact CD1-CG2 3.94Å; K22-I32 HydrophobicContact CD-CG1 4.27Å; C29-I32 PolarHBondContact O-N 3.34Å; A30-I32 PolarHBondContact O-N 2.86Å; I32-G34 PolarHBondContact O-N 3.23Å; I32-Q37 HydrophobicContact CG2-CG 4.08Å; I32-M78 HydrophobicContact CB-CE 3.93Å; I32-M78 HydrophobicContact CG2-CE 3.71Å; I32-M78 HydrophobicContact CG2-SD 3.89Å; I32-M78 VanDerWaalsContact O-CE 3.22Å; I32-M78 WeakPolarHBondContact O-CE 3.48Å; I32-M137 VanDerWaalsContact C-CE 3.41Å; I32-T148 HydrophobicContact CD1-CG2 3.61Å; I32-T148 WeakPolarHBondContact CD1-OG1 3.36Å
33S96Very high96.1Very high0 Ų035.8 Ų35.80%018%0.183CC..  trans-77.1116.4177.2168.30000110R35 S36 Q37 D91 P133 M137S33-R35 VanDerWaalsContact C-N 3.25Å; S33-R35 PolarHBondContact O-N 3.31Å; S33-R35 PolarHBondContact OG-N 3.05Å; S33-S36 PolarHBondContact O-N 3.4Å; S33-S36 PolarHBondContact OG-N 3.17Å; S33-S36 VanDerWaalsContact OG-N 3.13Å; S33-Q37 WeakPolarHBondContact O-CG 3.43Å; S33-Q37 PolarHBondContact O-N 3.16Å; S33-D91 VanDerWaalsContact C-OD2 3.27Å; S33-D91 WeakPolarHBondContact CA-OD2 3.34Å; S33-D91 VanDerWaalsContact CB-OD2 3.32Å; S33-D91 WeakPolarHBondContact CB-OD2 3.48Å; S33-D91 PolarHBondContact OG-OD1 3.22Å; S33-D91 PolarHBondContact OG-OD2 2.99Å; S33-P133 WeakPolarHBondContact OG-CB 3.23Å; S33-M137 VanDerWaalsContact N-CE 3.35Å
34G96.9Very high96.2Very high0 Ų035.9 Ų35.90%018%0.184CC..Hα-helixtrans-68.5-31.7175.700000110.9I32 Q37 A38 M78 F79 D91I32-G34 PolarHBondContact O-N 3.23Å; G34-Q37 PolarHBondContact O-N 2.91Å; G34-A38 WeakPolarHBondContact O-CB 3.43Å; G34-A38 PolarHBondContact O-N 3.4Å; G34-M78 VanDerWaalsContact N-CE 3.33Å; G34-F79 WeakPolarHBondContact O-CZ 3.36Å; G34-D91 PolarHBondContact N-OD2 3.07Å
35R97.5Very high96.3Very high59 Ų5932.1 Ų32.122%0.22318%0.175CC..Hα-helixtrans-61.4-48.4175.1-64.2-173.1-163.9-140.2-5.2111.5S33 Q37 A38 L39 D91 F93 V95 P133S33-R35 VanDerWaalsContact C-N 3.25Å; S33-R35 PolarHBondContact O-N 3.31Å; S33-R35 PolarHBondContact OG-N 3.05Å; R35-Q37 VanDerWaalsContact C-N 3.35Å; R35-Q37 PolarHBondContact O-N 3.45Å; R35-A38 PolarHBondContact O-N 2.85Å; R35-L39 WeakPolarHBondContact O-CG 3.36Å; R35-L39 PolarHBondContact O-N 3.45Å; R35-D91 WeakPolarHBondContact CD-OD1 3.16Å; R35-D91 WeakPolarHBondContact CG-OD1 3.06Å; R35-D91 PolarHBondContact N-OD2 3.49Å; R35-D91 VanDerWaalsContact N-OD2 3.1Å; R35-D91 PolarHBondContact NE-O 2.89Å; R35-D91 IonicContact NE-OD1 2.76Å; R35-D91 PolarHBondContact NH2-O 3.19Å; R35-F93 WeakPolarHBondContact CD-O 3.34Å; R35-F93 PolarHBondContact NH1-O 3.44Å; R35-V95 HydrophobicContact CB-CG1 3.76Å; R35-V95 HydrophobicContact CG-CG1 4.21Å; R35-P133 HydrophobicContact CB-CB 3.93Å; R35-P133 HydrophobicContact CB-CG 4.27Å
36S97.3Very high96.4Very high0 Ų024.5 Ų24.50%014%0.144CC..Hα-helixtrans-59.4-43.7174.5-84.20000112.3S33 A38 L39 F40 A130 P133 Q134S33-S36 PolarHBondContact O-N 3.4Å; S33-S36 PolarHBondContact OG-N 3.17Å; S33-S36 VanDerWaalsContact OG-N 3.13Å; S36-A38 PolarHBondContact O-N 3.08Å; S36-L39 PolarHBondContact O-N 2.95Å; S36-F40 WeakPolarHBondContact O-CD2 3.45Å; S36-F40 PolarHBondContact O-N 3.11Å; S36-A130 WeakPolarHBondContact CA-O 3.42Å; S36-A130 WeakPolarHBondContact CB-O 3.44Å; S36-A130 PolarHBondContact OG-O 3.28Å; S36-P133 WeakPolarHBondContact OG-CB 3.4Å; S36-P133 WeakPolarHBondContact OG-CD 3.22Å; S36-Q134 PolarHBondContact OG-N 3.33Å
37Q97.9Very high96.6Very high8 Ų823.2 Ų23.24%0.03713%0.13CC..Hα-helixtrans-65.9-38179.7-61-47.3-46.900112.7L19 I32 S33 G34 R35 F40 A41 T74 V75 M78 Y151L19-Q37 VanDerWaalsContact CD2-CD 3.5Å; L19-Q37 HydrophobicContact CD2-CG 4.38Å; L19-Q37 VanDerWaalsContact CD2-OE1 3.31Å; I32-Q37 HydrophobicContact CG2-CG 4.08Å; S33-Q37 WeakPolarHBondContact O-CG 3.43Å; S33-Q37 PolarHBondContact O-N 3.16Å; G34-Q37 PolarHBondContact O-N 2.91Å; R35-Q37 VanDerWaalsContact C-N 3.35Å; R35-Q37 PolarHBondContact O-N 3.45Å; Q37-F40 PolarHBondContact O-N 3Å; Q37-A41 PolarHBondContact O-N 3.16Å; Q37-T74 HydrophobicContact CB-CG2 4.2Å; Q37-T74 HydrophobicContact CG-CG2 3.87Å; Q37-V75 HydrophobicContact CB-CG2 4.41Å; Q37-M78 HydrophobicContact CB-SD 3.86Å; Q37-M78 HydrophobicContact CG-SD 3.43Å; Q37-M78 WeakPolarHBondContact CG-SD 3.34Å; Q37-Y151 PolarHBondContact NE2-OH 2.88Å
38A98.1Very high96.6Very high35 Ų3518.5 Ų18.529%0.28911%0.112SC..Hα-helixtrans-63.2-41.417300000111.7G34 R35 S36 A41 V42 F79G34-A38 WeakPolarHBondContact O-CB 3.43Å; G34-A38 PolarHBondContact O-N 3.4Å; R35-A38 PolarHBondContact O-N 2.85Å; S36-A38 PolarHBondContact O-N 3.08Å; A38-A41 WeakPolarHBondContact O-CB 3.34Å; A38-A41 PolarHBondContact O-N 3.27Å; A38-V42 WeakPolarHBondContact O-CG2 3.5Å; A38-V42 PolarHBondContact O-N 3.36Å; A38-F79 HydrophobicContact CB-CE2 4.28Å
39L98.5Very high96.6Very high9 Ų920 Ų205%0.04712%0.118CC..Hα-helixtrans-63.1-42.9175.2-68.7178.7000112R35 S36 A41 V42 V43 V95 L98 V99 L126 A130 P133R35-L39 WeakPolarHBondContact O-CG 3.36Å; R35-L39 PolarHBondContact O-N 3.45Å; S36-L39 PolarHBondContact O-N 2.95Å; L39-A41 VanDerWaalsContact C-N 3.31Å; L39-A41 PolarHBondContact O-N 3Å; L39-V42 WeakPolarHBondContact O-CB 3.36Å; L39-V42 PolarHBondContact O-N 3.01Å; L39-V43 WeakPolarHBondContact O-CG2 3.35Å; L39-V43 PolarHBondContact O-N 2.84Å; L39-V95 HydrophobicContact CD1-CB 4.36Å; L39-V95 HydrophobicContact CD1-CG1 4Å; L39-V95 HydrophobicContact CD2-CB 4.31Å; L39-V95 HydrophobicContact CG-CG1 4.33Å; L39-L98 HydrophobicContact CD1-CD1 3.78Å; L39-V99 HydrophobicContact CD2-CG2 3.58Å; L39-L126 HydrophobicContact CD2-CD1 4.24Å; L39-L126 HydrophobicContact CD2-CD2 4.35Å; L39-A130 HydrophobicContact CB-CB 3.83Å; L39-A130 HydrophobicContact CD1-CB 4.41Å; L39-P133 HydrophobicContact CD1-CG 4.1Å
40F98.2Very high96.5Very high6 Ų621 Ų213%0.02612%0.123CC..Hα-helixtrans-62.4-37.7175-73.7-56.2000112.4S36 Q37 V43 F44 E127 A130 I131 L155S36-F40 WeakPolarHBondContact O-CD2 3.45Å; S36-F40 PolarHBondContact O-N 3.11Å; Q37-F40 PolarHBondContact O-N 3Å; F40-V43 WeakPolarHBondContact O-CB 3.41Å; F40-V43 PolarHBondContact O-N 3.4Å; F40-F44 HydrophobicContact CB-CE2 4.37Å; F40-F44 WeakPolarHBondContact O-CD2 3.43Å; F40-F44 PolarHBondContact O-N 3.35Å; F40-E127 HydrophobicContact CD1-CG 4.41Å; F40-E127 HydrophobicContact CE1-CG 4.14Å; F40-A130 HydrophobicContact CD1-CB 3.98Å; F40-A130 HydrophobicContact CE1-CB 3.73Å; F40-A130 HydrophobicContact CG-CB 4.5Å; F40-A130 HydrophobicContact CZ-CB 4.06Å; F40-I131 HydrophobicContact CE2-CD1 4.07Å; F40-I131 HydrophobicContact CZ-CB 4.26Å; F40-I131 HydrophobicContact CZ-CD1 4.14Å; F40-L155 HydrophobicContact CE2-CD2 4.02Å; F40-L155 HydrophobicContact CZ-CD2 3.85Å
41A98.4Very high96.5Very high7 Ų721 Ų216%0.05812%0.118CC..Hα-helixtrans-61.5-45.7172.800000111.5Q37 A38 L39 V43 F44 T45 V75Q37-A41 PolarHBondContact O-N 3.16Å; A38-A41 WeakPolarHBondContact O-CB 3.34Å; A38-A41 PolarHBondContact O-N 3.27Å; L39-A41 VanDerWaalsContact C-N 3.31Å; L39-A41 PolarHBondContact O-N 3Å; A41-V43 VanDerWaalsContact C-N 3.32Å; A41-V43 PolarHBondContact O-N 3.36Å; A41-F44 PolarHBondContact O-N 3.15Å; A41-T45 WeakPolarHBondContact O-CB 3.32Å; A41-T45 PolarHBondContact O-N 3.1Å; A41-T45 PolarHBondContact O-OG1 3.37Å; A41-V75 HydrophobicContact CB-CG2 3.88Å
42V98.4Very high96.3Very high68 Ų6828.7 Ų28.741%0.41215%0.147SC..Hα-helixtrans-58.9-43.6174.8172.10000111.6A38 L39 T45 A46 F122 L126A38-V42 WeakPolarHBondContact O-CG2 3.5Å; A38-V42 PolarHBondContact O-N 3.36Å; L39-V42 WeakPolarHBondContact O-CB 3.36Å; L39-V42 PolarHBondContact O-N 3.01Å; V42-T45 PolarHBondContact O-N 3.29Å; V42-A46 WeakPolarHBondContact O-CB 3.31Å; V42-A46 PolarHBondContact O-N 3.04Å; V42-F122 HydrophobicContact CG1-CE1 3.93Å; V42-F122 HydrophobicContact CG1-CZ 4.29Å; V42-L126 HydrophobicContact CB-CD2 4.39Å; V42-L126 HydrophobicContact CG1-CD2 3.9Å
43V98.5Very high95.9Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-55.9-54.2176162.70000111.1L39 F40 A41 T45 A46 R47 S123 L126 E127L39-V43 WeakPolarHBondContact O-CG2 3.35Å; L39-V43 PolarHBondContact O-N 2.84Å; F40-V43 WeakPolarHBondContact O-CB 3.41Å; F40-V43 PolarHBondContact O-N 3.4Å; A41-V43 VanDerWaalsContact C-N 3.32Å; A41-V43 PolarHBondContact O-N 3.36Å; V43-T45 VanDerWaalsContact C-N 3.34Å; V43-T45 PolarHBondContact O-N 3.11Å; V43-A46 PolarHBondContact O-N 2.99Å; V43-R47 VanDerWaalsContact O-CB 3.27Å; V43-R47 WeakPolarHBondContact O-CB 3.25Å; V43-R47 PolarHBondContact O-N 3.19Å; V43-S123 WeakPolarHBondContact O-CB 3.46Å; V43-L126 HydrophobicContact CG2-CB 3.91Å; V43-L126 HydrophobicContact CG2-CD2 3.87Å; V43-L126 HydrophobicContact CG2-CG 3.75Å; V43-E127 HydrophobicContact CB-CB 4.48Å; V43-E127 HydrophobicContact CG1-CB 3.69Å; V43-E127 HydrophobicContact CG1-CG 3.92Å; V43-E127 HydrophobicContact CG2-CB 3.96Å
44F98Very high95.5Very high1 Ų138.1 Ų38.10%0.00420%0.197CC..Hα-helixtrans-68.3-35.8-176-69.3-57.4000112.7H12 F40 A41 R47 Y48 F67 L68 T71H12-F44 AromaticContact CE1-CE1 3.91Å; H12-F44 AromaticContact CE1-CZ 3.4Å; H12-F44 VanDerWaalsContact CE1-CZ 3.4Å; H12-F44 WeakPolarHBondContact CE1-CZ 3.25Å; H12-F44 AromaticContact NE2-CZ 3.59Å; F40-F44 HydrophobicContact CB-CE2 4.37Å; F40-F44 WeakPolarHBondContact O-CD2 3.43Å; F40-F44 PolarHBondContact O-N 3.35Å; A41-F44 PolarHBondContact O-N 3.15Å; F44-R47 PolarHBondContact O-N 2.92Å; F44-Y48 HydrophobicContact CB-CD2 4.14Å; F44-Y48 HydrophobicContact CB-CE2 4.11Å; F44-Y48 HydrophobicContact CD1-CD2 4.19Å; F44-Y48 AromaticContact CD1-CE2 3.35Å; F44-Y48 HydrophobicContact CD1-CE2 3.35Å; F44-Y48 AromaticContact CD1-CZ 3.74Å; F44-Y48 HydrophobicContact CE1-CE2 4.1Å; F44-Y48 HydrophobicContact CG-CE2 4.09Å; F44-Y48 WeakPolarHBondContact O-CB 3.44Å; F44-Y48 WeakPolarHBondContact O-CD2 3.28Å; F44-Y48 PolarHBondContact O-N 3.48Å; F44-F67 HydrophobicContact CD1-CB 4.28Å; F44-F67 HydrophobicContact CE1-CB 4.22Å; F44-F67 HydrophobicContact CE1-CG 4.38Å; F44-F67 HydrophobicContact CZ-CB 4.43Å; F44-L68 HydrophobicContact CB-CD1 4.26Å; F44-T71 HydrophobicContact CD2-CG2 3.27Å; F44-T71 HydrophobicContact CE2-CG2 3.32Å; F44-T71 HydrophobicContact CG-CG2 4.49Å
45T97.9Very high94.9Very high48 Ų4844.5 Ų44.529%0.29423%0.23SC..Hα-helixtrans-63.2-45.9174.6-59.70000111.4A41 V42 V43 R47 L49 Y72A41-T45 WeakPolarHBondContact O-CB 3.32Å; A41-T45 PolarHBondContact O-N 3.1Å; A41-T45 PolarHBondContact O-OG1 3.37Å; V42-T45 PolarHBondContact O-N 3.29Å; V43-T45 VanDerWaalsContact C-N 3.34Å; V43-T45 PolarHBondContact O-N 3.11Å; T45-R47 VanDerWaalsContact C-N 3.35Å; T45-L49 WeakPolarHBondContact O-CD2 3.48Å; T45-L49 WeakPolarHBondContact O-CG 3.38Å; T45-Y72 PolarHBondContact OG1-OH 2.97Å
46A97.7Very high94.2Very high10 Ų1048.8 Ų48.88%0.08325%0.247CC..Hα-helixtrans-67.2-35.8177.200000112.4V42 V43 L119 F122V42-A46 WeakPolarHBondContact O-CB 3.31Å; V42-A46 PolarHBondContact O-N 3.04Å; V43-A46 PolarHBondContact O-N 2.99Å; A46-L119 HydrophobicContact CB-CB 4.44Å; A46-F122 HydrophobicContact CB-CD1 4.02Å; A46-F122 HydrophobicContact CB-CE1 4.39Å
47R97.4Very high93.8Very high31 Ų3151.1 Ų51.112%0.11726%0.263CS..Hα-helixtrans-72.4-39.2-177.4-170.9170.5-70.9165.9-1.6114.1V43 F44 T45 S123 E127V43-R47 VanDerWaalsContact O-CB 3.27Å; V43-R47 WeakPolarHBondContact O-CB 3.25Å; V43-R47 PolarHBondContact O-N 3.19Å; F44-R47 PolarHBondContact O-N 2.92Å; T45-R47 VanDerWaalsContact C-N 3.35Å; R47-S123 WeakPolarHBondContact CB-OG 3.45Å; R47-S123 PolarHBondContact NE-OG 2.97Å; R47-S123 PolarHBondContact NH2-O 3.27Å; R47-S123 VanDerWaalsContact NH2-O 3.13Å; R47-S123 PolarHBondContact NH2-OG 3.42Å; R47-E127 IonicContact CZ-OE2 3.7Å; R47-E127 VanDerWaalsContact NH1-CD 3.31Å; R47-E127 IonicContact NH1-OE1 3.12Å; R47-E127 IonicContact NH1-OE2 3.91Å; R47-E127 PolarHBondContact NH1-OE2 2.87Å; R47-E127 IonicContact NH2-OE2 2.65Å; R47-E127 PolarHBondContact NH2-OE2 3.18Å
48Y96.1Very high93.5Very high27 Ų2760.5 Ų60.511%0.10630%0.3CS..THydrogen-bonded Turntrans-104.223.6-166.8-57.3-32.3000113.3F44 D50 L51 K64 F67F44-Y48 HydrophobicContact CB-CD2 4.14Å; F44-Y48 HydrophobicContact CB-CE2 4.11Å; F44-Y48 HydrophobicContact CD1-CD2 4.19Å; F44-Y48 AromaticContact CD1-CE2 3.35Å; F44-Y48 HydrophobicContact CD1-CE2 3.35Å; F44-Y48 AromaticContact CD1-CZ 3.74Å; F44-Y48 HydrophobicContact CE1-CE2 4.1Å; F44-Y48 HydrophobicContact CG-CE2 4.09Å; F44-Y48 WeakPolarHBondContact O-CB 3.44Å; F44-Y48 WeakPolarHBondContact O-CD2 3.28Å; F44-Y48 PolarHBondContact O-N 3.48Å; Y48-D50 WeakPolarHBondContact CA-OD1 3.38Å; Y48-D50 PolarHBondContact O-N 2.9Å; Y48-L51 VanDerWaalsContact O-CB 3.27Å; Y48-L51 WeakPolarHBondContact O-CB 3.3Å; Y48-L51 WeakPolarHBondContact O-CG 3.44Å; Y48-L51 PolarHBondContact O-N 3.42Å; Y48-L51 VanDerWaalsContact O-N 3.09Å; Y48-K64 HydrophobicContact CD1-CB 4.26Å; Y48-K64 HydrophobicContact CD1-CD 3.57Å; Y48-K64 HydrophobicContact CD1-CG 3.58Å; Y48-K64 HydrophobicContact CD2-CB 3.9Å; Y48-K64 HydrophobicContact CD2-CG 4.06Å; Y48-K64 HydrophobicContact CE1-CB 4.49Å; Y48-K64 HydrophobicContact CE1-CD 4.03Å; Y48-K64 HydrophobicContact CE1-CG 3.62Å; Y48-K64 HydrophobicContact CE2-CB 4.14Å; Y48-K64 HydrophobicContact CE2-CG 4.09Å; Y48-K64 HydrophobicContact CG-CB 3.97Å; Y48-K64 HydrophobicContact CG-CD 3.93Å; Y48-K64 HydrophobicContact CG-CG 3.82Å; Y48-F67 HydrophobicContact CE2-CB 3.98Å; Y48-F67 HydrophobicContact CE2-CD2 4.23Å
49L94.4Very high93.2Very high57 Ų5761.8 Ų61.830%0.29830%0.298SS..G310 helixtrans-59.8-26.3171.8-64.4178.4000112.4T45 L51 F52 V116 L119T45-L49 WeakPolarHBondContact O-CD2 3.48Å; T45-L49 WeakPolarHBondContact O-CG 3.38Å; L49-L51 PolarHBondContact O-N 2.91Å; L49-F52 WeakPolarHBondContact O-CD2 3.11Å; L49-F52 PolarHBondContact O-N 3.45Å; L49-V116 HydrophobicContact CB-CG1 4.44Å; L49-L119 HydrophobicContact CD1-CB 4.09Å; L49-L119 HydrophobicContact CD1-CD1 3.42Å; L49-L119 VanDerWaalsContact CD1-CD1 3.42Å; L49-L119 HydrophobicContact CD1-CG 4.37Å
50D92Very high92.8Very high21 Ų2162.4 Ų62.411%0.11230%0.301CS..G310 helixtrans-67.1-11.1175.871.1-30.7000114Y48 F52 T53 H54 Y56 K64Y48-D50 WeakPolarHBondContact CA-OD1 3.38Å; Y48-D50 PolarHBondContact O-N 2.9Å; D50-F52 PolarHBondContact O-N 3.32Å; D50-F52 VanDerWaalsContact O-N 3.16Å; D50-T53 WeakPolarHBondContact CA-OG1 3.47Å; D50-T53 PolarHBondContact O-N 2.98Å; D50-T53 VanDerWaalsContact O-N 3.07Å; D50-T53 PolarHBondContact O-OG1 3.5Å; D50-H54 PolarHBondContact O-N 3.37Å; D50-Y56 WeakPolarHBondContact OD2-CE2 3.43Å; D50-K64 IonicContact OD1-NZ 3.6Å; D50-K64 PolarHBondContact OD1-NZ 3.1Å; D50-K64 IonicContact OD2-NZ 2.71Å; D50-K64 PolarHBondContact OD2-NZ 3Å
51L90.6Very high92.6Very high33 Ų3363.9 Ų63.917%0.17331%0.31CS..G310 helixtrans-56.7-28.5173.3-82.9174000113.2Y48 L49 T61 K64 V65Y48-L51 VanDerWaalsContact O-CB 3.27Å; Y48-L51 WeakPolarHBondContact O-CB 3.3Å; Y48-L51 WeakPolarHBondContact O-CG 3.44Å; Y48-L51 PolarHBondContact O-N 3.42Å; Y48-L51 VanDerWaalsContact O-N 3.09Å; L49-L51 PolarHBondContact O-N 2.91Å; L51-T61 HydrophobicContact CD2-CG2 4Å; L51-K64 HydrophobicContact CD1-CB 3.99Å; L51-K64 HydrophobicContact CD2-CB 3.9Å; L51-K64 HydrophobicContact CD2-CD 3.82Å; L51-K64 HydrophobicContact CG-CB 4.18Å; L51-K64 HydrophobicContact CG-CD 4.01Å; L51-V65 HydrophobicContact CD1-CG2 4.23Å; L51-V65 HydrophobicContact CD2-CG2 4.44Å
52F88.1Confident92.4Very high181 Ų18167.7 Ų67.779%0.79433%0.333SS*.G310 helixtrans-86.1-13.1-179.4-59.3-72000113.4L49 D50L49-F52 WeakPolarHBondContact O-CD2 3.11Å; L49-F52 PolarHBondContact O-N 3.45Å; D50-F52 PolarHBondContact O-N 3.32Å; D50-F52 VanDerWaalsContact O-N 3.16Å
53T86.7Confident92.3Very high92 Ų9265.3 Ų65.356%0.56432%0.317SS*.THydrogen-bonded Turntrans-117.2-33.5-172.156.10000113D50D50-T53 WeakPolarHBondContact CA-OG1 3.47Å; D50-T53 PolarHBondContact O-N 2.98Å; D50-T53 VanDerWaalsContact O-N 3.07Å; D50-T53 PolarHBondContact O-OG1 3.5Å
54H86.2Confident92.2Very high107 Ų10766.1 Ų66.150%0.49532%0.321SS..  trans-137.3125.4-171.8-60.9-63.1000112.9D50 Y56D50-H54 PolarHBondContact O-N 3.37Å; H54-Y56 HydrophobicContact CB-CD2 4.27Å; H54-Y56 HydrophobicContact CB-CE2 3.67Å
55I84.6Confident92.1Very high134 Ų13469.3 Ų69.369%0.68734%0.34SS*.  trans-101.3102.6169.2-58.3177.1000108.2
56Y82.8Confident92.1Very high150 Ų15069.2 Ų69.259%0.58834%0.339SS*.  trans-80.1-47.6178.8-65.9-86.2000112.7D50 H54D50-Y56 WeakPolarHBondContact OD2-CE2 3.43Å; H54-Y56 HydrophobicContact CB-CD2 4.27Å; H54-Y56 HydrophobicContact CB-CE2 3.67Å
57S89.9Confident92Very high49 Ų4968.9 Ų68.934%0.34334%0.336SS..  trans-160.7152.5174.975.30000109.9Y59 N60 T61S57-Y59 VanDerWaalsContact C-N 3.27Å; S57-Y59 PolarHBondContact O-N 3Å; S57-N60 PolarHBondContact O-N 2.79Å; S57-N60 VanDerWaalsContact O-N 3.08Å; S57-N60 WeakPolarHBondContact OG-CB 3.28Å; S57-N60 PolarHBondContact OG-N 3.27Å; S57-N60 VanDerWaalsContact OG-N 3.15Å; S57-T61 PolarHBondContact O-N 2.9Å; S57-T61 PolarHBondContact O-OG1 2.84Å
58Y90.5Very high92Very high205 Ų20569.6 Ų69.680%0.80434%0.342SS*.Hα-helixtrans-53.9-44.7177.2-70.1-71.2000112.4N60 T61 V62Y58-N60 PolarHBondContact O-N 3.46Å; Y58-T61 PolarHBondContact O-N 2.87Å; Y58-V62 WeakPolarHBondContact O-CB 3.37Å; Y58-V62 VanDerWaalsContact O-CG2 3.24Å; Y58-V62 WeakPolarHBondContact O-CG2 3.32Å; Y58-V62 PolarHBondContact O-N 3.29Å
59Y91.5Very high92.1Very high62 Ų6272.2 Ų72.224%0.24336%0.361CS..Hα-helixtrans-59.2-47.4176.5173.1-87.7000112M1 L6 D9 S57 T61 V62 M63M1-Y59 HydrophobicContact CE-CD1 3.23Å; M1-Y59 HydrophobicContact CE-CD2 4.17Å; M1-Y59 HydrophobicContact CE-CE1 3.6Å; M1-Y59 HydrophobicContact CE-CE2 4.46Å; M1-Y59 HydrophobicContact CE-CG 3.55Å; M1-Y59 HydrophobicContact SD-CD1 3.58Å; M1-Y59 VanDerWaalsContact SD-CD1 3.58Å; M1-Y59 HydrophobicContact SD-CE1 3.51Å; M1-Y59 VanDerWaalsContact SD-CE1 3.51Å; M1-Y59 HydrophobicContact SD-CG 4.47Å; L6-Y59 HydrophobicContact CD1-CE2 3.9Å; L6-Y59 WeakPolarHBondContact CD1-OH 3.42Å; D9-Y59 WeakPolarHBondContact CB-OH 3.44Å; D9-Y59 WeakPolarHBondContact OD2-CE1 3.32Å; D9-Y59 PolarHBondContact OD2-OH 3.49Å; S57-Y59 VanDerWaalsContact C-N 3.27Å; S57-Y59 PolarHBondContact O-N 3Å; Y59-T61 PolarHBondContact O-N 3.46Å; Y59-V62 PolarHBondContact O-N 3.5Å; Y59-M63 HydrophobicContact CD1-CG 4.18Å; Y59-M63 HydrophobicContact CD2-CG 4.29Å; Y59-M63 HydrophobicContact CE1-CG 3.75Å; Y59-M63 HydrophobicContact CE2-CG 3.87Å; Y59-M63 HydrophobicContact CE2-SD 4.28Å; Y59-M63 HydrophobicContact CG-CG 4.44Å; Y59-M63 WeakPolarHBondContact O-CB 3.1Å; Y59-M63 WeakPolarHBondContact O-CG 3.2Å; Y59-M63 PolarHBondContact O-N 3.4Å
60N91.3Very high92.3Very high22 Ų2270.6 Ų70.612%0.11835%0.354CS..Hα-helixtrans-63.6-45.6-177.9-176.1-100.9000111.4S57 Y58 M63 K64S57-N60 PolarHBondContact O-N 2.79Å; S57-N60 VanDerWaalsContact O-N 3.08Å; S57-N60 WeakPolarHBondContact OG-CB 3.28Å; S57-N60 PolarHBondContact OG-N 3.27Å; S57-N60 VanDerWaalsContact OG-N 3.15Å; Y58-N60 PolarHBondContact O-N 3.46Å; N60-M63 PolarHBondContact O-N 3.16Å; N60-K64 VanDerWaalsContact O-CG 3.29Å; N60-K64 WeakPolarHBondContact O-CG 3.32Å; N60-K64 PolarHBondContact O-N 3.01Å; N60-K64 WeakPolarHBondContact OD1-CE 3.5Å; N60-K64 PolarHBondContact OD1-NZ 3.49Å
61T93.9Very high92.6Very high36 Ų3669.8 Ų69.822%0.22135%0.35CS..Hα-helixtrans-60.4-47.2177.4-58.70000111.3L51 S57 Y58 Y59 K64 V65L51-T61 HydrophobicContact CD2-CG2 4Å; S57-T61 PolarHBondContact O-N 2.9Å; S57-T61 PolarHBondContact O-OG1 2.84Å; Y58-T61 PolarHBondContact O-N 2.87Å; Y59-T61 PolarHBondContact O-N 3.46Å; T61-K64 PolarHBondContact O-N 3.3Å; T61-V65 WeakPolarHBondContact O-CG2 3.12Å; T61-V65 PolarHBondContact O-N 3.03Å
62V94.9Very high92.9Very high88 Ų8873.7 Ų73.753%0.53336%0.363SS..Hα-helixtrans-60.6-48.8178.4170.20000111.2Y58 Y59 K64 V65 V66Y58-V62 WeakPolarHBondContact O-CB 3.37Å; Y58-V62 VanDerWaalsContact O-CG2 3.24Å; Y58-V62 WeakPolarHBondContact O-CG2 3.32Å; Y58-V62 PolarHBondContact O-N 3.29Å; Y59-V62 PolarHBondContact O-N 3.5Å; V62-K64 PolarHBondContact O-N 2.71Å; V62-V65 PolarHBondContact O-N 2.83Å; V62-V66 HydrophobicContact CG1-CG2 4.29Å; V62-V66 VanDerWaalsContact O-CG2 3.3Å; V62-V66 WeakPolarHBondContact O-CG2 3.31Å; V62-V66 PolarHBondContact O-N 3.1Å
63M95.2Very high93.4Very high17 Ų1767.9 Ų67.98%0.08434%0.342CS..Hα-helixtrans-61-43.5-179.4-72.9-62.1-60.900112.3D9 L13 Y59 N60 V65 V66 F67D9-M63 HydrophobicContact CB-CE 4.11Å; L13-M63 HydrophobicContact CB-CE 4.1Å; L13-M63 HydrophobicContact CD2-CE 4.1Å; L13-M63 HydrophobicContact CD2-SD 4.28Å; Y59-M63 HydrophobicContact CD1-CG 4.18Å; Y59-M63 HydrophobicContact CD2-CG 4.29Å; Y59-M63 HydrophobicContact CE1-CG 3.75Å; Y59-M63 HydrophobicContact CE2-CG 3.87Å; Y59-M63 HydrophobicContact CE2-SD 4.28Å; Y59-M63 HydrophobicContact CG-CG 4.44Å; Y59-M63 WeakPolarHBondContact O-CB 3.1Å; Y59-M63 WeakPolarHBondContact O-CG 3.2Å; Y59-M63 PolarHBondContact O-N 3.4Å; N60-M63 PolarHBondContact O-N 3.16Å; M63-V65 PolarHBondContact O-N 3.38Å; M63-V66 PolarHBondContact O-N 2.9Å; M63-F67 HydrophobicContact CB-CE2 4.22Å; M63-F67 HydrophobicContact CE-CE1 4.11Å; M63-F67 HydrophobicContact CE-CE2 3.72Å; M63-F67 HydrophobicContact CE-CZ 3.4Å; M63-F67 WeakPolarHBondContact O-CD2 3.34Å; M63-F67 WeakPolarHBondContact O-CG 3.49Å; M63-F67 PolarHBondContact O-N 2.95Å
64K96.2Very high94Very high17 Ų1763.6 Ų63.67%0.07432%0.316CS..Hα-helixtrans-60.3-45.5176.6-73-177.8172.2-179.60112.1Y48 D50 L51 N60 T61 V62 F67 L68Y48-K64 HydrophobicContact CD1-CB 4.26Å; Y48-K64 HydrophobicContact CD1-CD 3.57Å; Y48-K64 HydrophobicContact CD1-CG 3.58Å; Y48-K64 HydrophobicContact CD2-CB 3.9Å; Y48-K64 HydrophobicContact CD2-CG 4.06Å; Y48-K64 HydrophobicContact CE1-CB 4.49Å; Y48-K64 HydrophobicContact CE1-CD 4.03Å; Y48-K64 HydrophobicContact CE1-CG 3.62Å; Y48-K64 HydrophobicContact CE2-CB 4.14Å; Y48-K64 HydrophobicContact CE2-CG 4.09Å; Y48-K64 HydrophobicContact CG-CB 3.97Å; Y48-K64 HydrophobicContact CG-CD 3.93Å; Y48-K64 HydrophobicContact CG-CG 3.82Å; D50-K64 IonicContact OD1-NZ 3.6Å; D50-K64 PolarHBondContact OD1-NZ 3.1Å; D50-K64 IonicContact OD2-NZ 2.71Å; D50-K64 PolarHBondContact OD2-NZ 3Å; L51-K64 HydrophobicContact CD1-CB 3.99Å; L51-K64 HydrophobicContact CD2-CB 3.9Å; L51-K64 HydrophobicContact CD2-CD 3.82Å; L51-K64 HydrophobicContact CG-CB 4.18Å; L51-K64 HydrophobicContact CG-CD 4.01Å; N60-K64 VanDerWaalsContact O-CG 3.29Å; N60-K64 WeakPolarHBondContact O-CG 3.32Å; N60-K64 PolarHBondContact O-N 3.01Å; N60-K64 WeakPolarHBondContact OD1-CE 3.5Å; N60-K64 PolarHBondContact OD1-NZ 3.49Å; T61-K64 PolarHBondContact O-N 3.3Å; V62-K64 PolarHBondContact O-N 2.71Å; K64-F67 PolarHBondContact O-N 2.78Å; K64-L68 WeakPolarHBondContact O-CB 3.41Å; K64-L68 PolarHBondContact O-N 3.18Å
65V96.3Very high94.5Very high68 Ų6859.9 Ų59.941%0.41230%0.301SS..Hα-helixtrans-62.1-44.3176.7171.60000110.7L51 T61 V62 M63 F67 L68 V69L51-V65 HydrophobicContact CD1-CG2 4.23Å; L51-V65 HydrophobicContact CD2-CG2 4.44Å; T61-V65 WeakPolarHBondContact O-CG2 3.12Å; T61-V65 PolarHBondContact O-N 3.03Å; V62-V65 PolarHBondContact O-N 2.83Å; M63-V65 PolarHBondContact O-N 3.38Å; V65-F67 PolarHBondContact O-N 2.76Å; V65-L68 PolarHBondContact O-N 2.8Å; V65-V69 HydrophobicContact CG1-CG2 4.28Å; V65-V69 WeakPolarHBondContact O-CB 3.48Å; V65-V69 WeakPolarHBondContact O-CG2 3.39Å; V65-V69 PolarHBondContact O-N 3.2Å
66V97.1Very high95.2Very high46 Ų4659.6 Ų59.628%0.27929%0.292SS..Hα-helixtrans-60-47.5176.9169.30000111.1L13 V62 M63 L68 V69 C70L13-V66 HydrophobicContact CD1-CG1 3.57Å; V62-V66 HydrophobicContact CG1-CG2 4.29Å; V62-V66 VanDerWaalsContact O-CG2 3.3Å; V62-V66 WeakPolarHBondContact O-CG2 3.31Å; V62-V66 PolarHBondContact O-N 3.1Å; M63-V66 PolarHBondContact O-N 2.9Å; V66-L68 PolarHBondContact O-N 3.48Å; V66-V69 PolarHBondContact O-N 2.94Å; V66-C70 VanDerWaalsContact O-CB 3.28Å; V66-C70 WeakPolarHBondContact O-CB 3.43Å; V66-C70 PolarHBondContact O-N 3.34Å; V66-C70 PolarHBondContact O-SG 3.4Å
67F97.3Very high95.9Very high4 Ų452.8 Ų52.82%0.01827%0.266CS..Hα-helixtrans-60.2-44.8177.3-69.9-44.6000112.2H12 L13 I16 F44 Y48 M63 K64 V65 T71H12-F67 HydrophobicContact CB-CE1 4.18Å; H12-F67 HydrophobicContact CB-CZ 4.1Å; L13-F67 HydrophobicContact CB-CE1 4.14Å; L13-F67 HydrophobicContact CD1-CE1 4.5Å; I16-F67 HydrophobicContact CD1-CD1 3.46Å; I16-F67 VanDerWaalsContact CD1-CD1 3.46Å; I16-F67 HydrophobicContact CD1-CE1 3.84Å; F44-F67 HydrophobicContact CD1-CB 4.28Å; F44-F67 HydrophobicContact CE1-CB 4.22Å; F44-F67 HydrophobicContact CE1-CG 4.38Å; F44-F67 HydrophobicContact CZ-CB 4.43Å; Y48-F67 HydrophobicContact CE2-CB 3.98Å; Y48-F67 HydrophobicContact CE2-CD2 4.23Å; M63-F67 HydrophobicContact CB-CE2 4.22Å; M63-F67 HydrophobicContact CE-CE1 4.11Å; M63-F67 HydrophobicContact CE-CE2 3.72Å; M63-F67 HydrophobicContact CE-CZ 3.4Å; M63-F67 WeakPolarHBondContact O-CD2 3.34Å; M63-F67 WeakPolarHBondContact O-CG 3.49Å; M63-F67 PolarHBondContact O-N 2.95Å; K64-F67 PolarHBondContact O-N 2.78Å; V65-F67 PolarHBondContact O-N 2.76Å; F67-T71 WeakPolarHBondContact O-CB 3.27Å; F67-T71 WeakPolarHBondContact O-CG2 3.44Å; F67-T71 PolarHBondContact O-N 2.94Å; F67-T71 PolarHBondContact O-OG1 3.06Å
68L97.3Very high96.2Very high45 Ų4550.5 Ų50.524%0.23625%0.249CC..Hα-helixtrans-61.5-50.8178.3-163.769.8000111.2F44 K64 V65 V66 C70 T71 Y72F44-L68 HydrophobicContact CB-CD1 4.26Å; K64-L68 WeakPolarHBondContact O-CB 3.41Å; K64-L68 PolarHBondContact O-N 3.18Å; V65-L68 PolarHBondContact O-N 2.8Å; V66-L68 PolarHBondContact O-N 3.48Å; L68-C70 PolarHBondContact O-N 2.96Å; L68-T71 PolarHBondContact O-N 3.44Å; L68-T71 PolarHBondContact O-OG1 2.6Å; L68-Y72 HydrophobicContact CD1-CD2 4.18Å; L68-Y72 HydrophobicContact CD1-CE2 3.65Å; L68-Y72 HydrophobicContact CG-CD2 3.98Å; L68-Y72 HydrophobicContact CG-CE2 3.82Å; L68-Y72 WeakPolarHBondContact O-CD2 3.35Å; L68-Y72 PolarHBondContact O-N 3.19Å; L68-Y72 VanDerWaalsContact O-N 3.1Å
69V98.1Very high96.5Very high83 Ų8344.4 Ų44.450%0.50323%0.227SC..Hα-helixtrans-60.6-49.7178.8171.40000111V65 V66 T71 Y72 V73V65-V69 HydrophobicContact CG1-CG2 4.28Å; V65-V69 WeakPolarHBondContact O-CB 3.48Å; V65-V69 WeakPolarHBondContact O-CG2 3.39Å; V65-V69 PolarHBondContact O-N 3.2Å; V66-V69 PolarHBondContact O-N 2.94Å; V69-T71 VanDerWaalsContact C-N 3.34Å; V69-T71 PolarHBondContact O-N 3.01Å; V69-Y72 PolarHBondContact O-N 3.44Å; V69-V73 HydrophobicContact CG1-CG2 4.2Å; V69-V73 WeakPolarHBondContact O-CB 3.38Å; V69-V73 VanDerWaalsContact O-CG2 3.23Å; V69-V73 WeakPolarHBondContact O-CG2 3.26Å; V69-V73 PolarHBondContact O-N 3.45Å
70C97.9Very high96.7Very high22 Ų2245 Ų4515%0.14924%0.241CC..Hα-helixtrans-64.8-36.9-176.4-72.30000112.9I16 L20 V66 L68 V73 T74I16-C70 HydrophobicContact CG2-CB 3.37Å; L20-C70 HydrophobicContact CD1-CB 3.91Å; V66-C70 VanDerWaalsContact O-CB 3.28Å; V66-C70 WeakPolarHBondContact O-CB 3.43Å; V66-C70 PolarHBondContact O-N 3.34Å; V66-C70 PolarHBondContact O-SG 3.4Å; L68-C70 PolarHBondContact O-N 2.96Å; C70-V73 PolarHBondContact O-N 3.26Å; C70-T74 WeakPolarHBondContact O-CB 3.38Å; C70-T74 PolarHBondContact O-N 2.93Å; C70-T74 PolarHBondContact O-OG1 3.4Å
71T97.6Very high97Very high4 Ų448.8 Ų48.83%0.02526%0.256CS..Hα-helixtrans-69.5-42.6176.851.30000112.3F44 F67 L68 V69 V73 T74 V75F44-T71 HydrophobicContact CD2-CG2 3.27Å; F44-T71 HydrophobicContact CE2-CG2 3.32Å; F44-T71 HydrophobicContact CG-CG2 4.49Å; F67-T71 WeakPolarHBondContact O-CB 3.27Å; F67-T71 WeakPolarHBondContact O-CG2 3.44Å; F67-T71 PolarHBondContact O-N 2.94Å; F67-T71 PolarHBondContact O-OG1 3.06Å; L68-T71 PolarHBondContact O-N 3.44Å; L68-T71 PolarHBondContact O-OG1 2.6Å; V69-T71 VanDerWaalsContact C-N 3.34Å; V69-T71 PolarHBondContact O-N 3.01Å; T71-V73 PolarHBondContact O-N 3.36Å; T71-T74 WeakPolarHBondContact O-CB 3.19Å; T71-T74 PolarHBondContact O-N 3.2Å; T71-V75 WeakPolarHBondContact O-CG2 3.27Å; T71-V75 PolarHBondContact O-N 2.82Å
72Y98.4Very high97.1Very high115 Ų11548.1 Ų48.145%0.45125%0.25SS..Hα-helixtrans-64.2-39.6172.7-81-63.2000112.9T45 L68 V69 T74 V75 Y76T45-Y72 PolarHBondContact OG1-OH 2.97Å; L68-Y72 HydrophobicContact CD1-CD2 4.18Å; L68-Y72 HydrophobicContact CD1-CE2 3.65Å; L68-Y72 HydrophobicContact CG-CD2 3.98Å; L68-Y72 HydrophobicContact CG-CE2 3.82Å; L68-Y72 WeakPolarHBondContact O-CD2 3.35Å; L68-Y72 PolarHBondContact O-N 3.19Å; L68-Y72 VanDerWaalsContact O-N 3.1Å; V69-Y72 PolarHBondContact O-N 3.44Å; Y72-T74 VanDerWaalsContact C-N 3.32Å; Y72-T74 PolarHBondContact O-N 2.88Å; Y72-V75 PolarHBondContact O-N 3.4Å; Y72-Y76 WeakPolarHBondContact O-CB 3.45Å; Y72-Y76 PolarHBondContact O-N 3.46Å
73V98.2Very high97.1Very high59 Ų5950.7 Ų50.736%0.35825%0.254SS..Hα-helixtrans-60.2-44.4172.5169.60000110.3L20 V69 C70 T71 V75 Y76 L77L20-V73 HydrophobicContact CD2-CB 4.47Å; L20-V73 HydrophobicContact CD2-CG1 3.82Å; V69-V73 HydrophobicContact CG1-CG2 4.2Å; V69-V73 WeakPolarHBondContact O-CB 3.38Å; V69-V73 VanDerWaalsContact O-CG2 3.23Å; V69-V73 WeakPolarHBondContact O-CG2 3.26Å; V69-V73 PolarHBondContact O-N 3.45Å; C70-V73 PolarHBondContact O-N 3.26Å; T71-V73 PolarHBondContact O-N 3.36Å; V73-V75 PolarHBondContact O-N 2.93Å; V73-Y76 PolarHBondContact O-N 3.37Å; V73-L77 HydrophobicContact CG1-CD1 4.04Å; V73-L77 HydrophobicContact CG1-CG 4.22Å; V73-L77 WeakPolarHBondContact O-CB 3.37Å; V73-L77 VanDerWaalsContact O-CG 3.25Å; V73-L77 WeakPolarHBondContact O-CG 3.24Å; V73-L77 PolarHBondContact O-N 3.42Å
74T97.9Very high97.2Very high2 Ų255.1 Ų55.11%0.01229%0.294CS..Hα-helixtrans-58.5-50177-57.70000111.1L19 L20 I23 Q37 C70 T71 Y72 Y76 L77 M78L19-T74 HydrophobicContact CD2-CG2 3.75Å; L19-T74 HydrophobicContact CG-CG2 4.36Å; L20-T74 VanDerWaalsContact CD2-OG1 3.27Å; L20-T74 WeakPolarHBondContact CD2-OG1 3.5Å; I23-T74 HydrophobicContact CD1-CG2 4.04Å; Q37-T74 HydrophobicContact CB-CG2 4.2Å; Q37-T74 HydrophobicContact CG-CG2 3.87Å; C70-T74 WeakPolarHBondContact O-CB 3.38Å; C70-T74 PolarHBondContact O-N 2.93Å; C70-T74 PolarHBondContact O-OG1 3.4Å; T71-T74 WeakPolarHBondContact O-CB 3.19Å; T71-T74 PolarHBondContact O-N 3.2Å; Y72-T74 VanDerWaalsContact C-N 3.32Å; Y72-T74 PolarHBondContact O-N 2.88Å; T74-Y76 VanDerWaalsContact C-N 3.35Å; T74-Y76 PolarHBondContact O-N 3.4Å; T74-L77 PolarHBondContact O-N 3.12Å; T74-M78 HydrophobicContact CG2-SD 4.41Å; T74-M78 WeakPolarHBondContact O-CG 3.42Å; T74-M78 PolarHBondContact O-N 3.35Å
75V98.1Very high97.1Very high30 Ų3056.6 Ų56.618%0.18230%0.304CS..Hα-helixtrans-59.1-44.4176.8170.80000111.2Q37 A41 T71 Y72 V73 L77 M78 F79Q37-V75 HydrophobicContact CB-CG2 4.41Å; A41-V75 HydrophobicContact CB-CG2 3.88Å; T71-V75 WeakPolarHBondContact O-CG2 3.27Å; T71-V75 PolarHBondContact O-N 2.82Å; Y72-V75 PolarHBondContact O-N 3.4Å; V73-V75 PolarHBondContact O-N 2.93Å; V75-L77 PolarHBondContact O-N 3.08Å; V75-M78 PolarHBondContact O-N 2.97Å; V75-F79 HydrophobicContact CG1-CD2 3.72Å; V75-F79 HydrophobicContact CG1-CE2 4.18Å; V75-F79 WeakPolarHBondContact O-CD2 3.39Å; V75-F79 PolarHBondContact O-N 2.95Å
76Y98.1Very high97Very high128 Ų12855 Ų5550%0.50229%0.291SS..Hα-helixtrans-60.9-44.4175.7167.5-100000112.4Y72 V73 T74 M78 S80 K81Y72-Y76 WeakPolarHBondContact O-CB 3.45Å; Y72-Y76 PolarHBondContact O-N 3.46Å; V73-Y76 PolarHBondContact O-N 3.37Å; T74-Y76 VanDerWaalsContact C-N 3.35Å; T74-Y76 PolarHBondContact O-N 3.4Å; Y76-M78 VanDerWaalsContact C-N 3.28Å; Y76-M78 PolarHBondContact O-N 3.46Å; Y76-S80 WeakPolarHBondContact O-CA 3.34Å; Y76-S80 VanDerWaalsContact O-CB 3.28Å; Y76-S80 WeakPolarHBondContact O-CB 3.4Å; Y76-S80 PolarHBondContact O-N 3.47Å; Y76-K81 HydrophobicContact CE1-CB 4.15Å; Y76-K81 HydrophobicContact CE1-CD 4.36Å; Y76-K81 PolarHBondContact O-N 3.15Å; Y76-K81 VanDerWaalsContact O-N 3.11Å
77L97.9Very high96.7Very high7 Ų755 Ų554%0.03729%0.289CS..Iπ-helixtrans-61.7-38.9177.3-69.4178.7000111.3L20 I23 W24 V73 T74 V75 K81 F82L20-L77 HydrophobicContact CD2-CD1 3.88Å; I23-L77 HydrophobicContact CG2-CB 3.89Å; I23-L77 HydrophobicContact CG2-CD1 3.98Å; W24-L77 HydrophobicContact CE3-CD2 4.34Å; W24-L77 HydrophobicContact CZ3-CD2 4.38Å; V73-L77 HydrophobicContact CG1-CD1 4.04Å; V73-L77 HydrophobicContact CG1-CG 4.22Å; V73-L77 WeakPolarHBondContact O-CB 3.37Å; V73-L77 VanDerWaalsContact O-CG 3.25Å; V73-L77 WeakPolarHBondContact O-CG 3.24Å; V73-L77 PolarHBondContact O-N 3.42Å; T74-L77 PolarHBondContact O-N 3.12Å; V75-L77 PolarHBondContact O-N 3.08Å; L77-K81 HydrophobicContact CD2-CB 4.12Å; L77-K81 HydrophobicContact CD2-CD 3.8Å; L77-K81 HydrophobicContact CD2-CG 4.41Å; L77-F82 HydrophobicContact CB-CD2 4.21Å; L77-F82 HydrophobicContact CD2-CD2 4.24Å; L77-F82 HydrophobicContact CD2-CE2 3.87Å; L77-F82 WeakPolarHBondContact O-CA 3.38Å; L77-F82 WeakPolarHBondContact O-CB 3.41Å; L77-F82 PolarHBondContact O-N 3.29Å
78M96.3Very high96.4Very high0 Ų060.4 Ų60.40%031%0.314CS..Iπ-helixtrans-74.3-49.3-179.4-67.9-167.677.300113.6I23 C29 I32 G34 Q37 T74 V75 Y76 K83 Y86I23-M78 HydrophobicContact CD1-CG 4.27Å; C29-M78 HydrophobicContact CB-CE 4.16Å; C29-M78 HydrophobicContact CB-CG 4.27Å; I32-M78 HydrophobicContact CB-CE 3.93Å; I32-M78 HydrophobicContact CG2-CE 3.71Å; I32-M78 HydrophobicContact CG2-SD 3.89Å; I32-M78 VanDerWaalsContact O-CE 3.22Å; I32-M78 WeakPolarHBondContact O-CE 3.48Å; G34-M78 VanDerWaalsContact N-CE 3.33Å; Q37-M78 HydrophobicContact CB-SD 3.86Å; Q37-M78 HydrophobicContact CG-SD 3.43Å; Q37-M78 WeakPolarHBondContact CG-SD 3.34Å; T74-M78 HydrophobicContact CG2-SD 4.41Å; T74-M78 WeakPolarHBondContact O-CG 3.42Å; T74-M78 PolarHBondContact O-N 3.35Å; V75-M78 PolarHBondContact O-N 2.97Å; Y76-M78 VanDerWaalsContact C-N 3.28Å; Y76-M78 PolarHBondContact O-N 3.46Å; M78-K83 VanDerWaalsContact O-CA 3.28Å; M78-K83 WeakPolarHBondContact O-CA 3.34Å; M78-K83 PolarHBondContact O-N 3.39Å; M78-Y86 HydrophobicContact CE-CD2 4Å; M78-Y86 HydrophobicContact CE-CE2 4.26Å
79F96.8Very high96Very high77 Ų7764.5 Ų64.534%0.33834%0.336SS..Iπ-helixtrans-95.9-11.5-170.5-65.5-70000114.5G34 A38 V75 K83 Y86G34-F79 WeakPolarHBondContact O-CZ 3.36Å; A38-F79 HydrophobicContact CB-CE2 4.28Å; V75-F79 HydrophobicContact CG1-CD2 3.72Å; V75-F79 HydrophobicContact CG1-CE2 4.18Å; V75-F79 WeakPolarHBondContact O-CD2 3.39Å; V75-F79 PolarHBondContact O-N 2.95Å; F79-K83 WeakPolarHBondContact O-CD 3.12Å; F79-Y86 HydrophobicContact CE1-CE1 4.22Å
80S96.3Very high95.7Very high75 Ų7563.9 Ų63.952%0.52433%0.328SS..Iπ-helixtrans-119.6-68177.3-58.40000111.7Y76Y76-S80 WeakPolarHBondContact O-CA 3.34Å; Y76-S80 VanDerWaalsContact O-CB 3.28Å; Y76-S80 WeakPolarHBondContact O-CB 3.4Å; Y76-S80 PolarHBondContact O-N 3.47Å
81K97Very high95.5Very high101 Ų10162.8 Ų62.844%0.43932%0.321SS..Iπ-helixtrans-69.4-43.5-166.6-172.9161.7-174.2155.80114.1Y76 L77Y76-K81 HydrophobicContact CE1-CB 4.15Å; Y76-K81 HydrophobicContact CE1-CD 4.36Å; Y76-K81 PolarHBondContact O-N 3.15Å; Y76-K81 VanDerWaalsContact O-N 3.11Å; L77-K81 HydrophobicContact CD2-CB 4.12Å; L77-K81 HydrophobicContact CD2-CD 3.8Å; L77-K81 HydrophobicContact CD2-CG 4.41Å
82F96.8Very high95.4Very high23 Ų2365.1 Ų65.110%0.10134%0.335CS..THydrogen-bonded Turntrans-116.326.6-178.7-56.5-59.7000111.9I23 R27 L77 A84 T85I23-F82 HydrophobicContact CG2-CD2 3.61Å; I23-F82 HydrophobicContact CG2-CE2 3.94Å; R27-F82 HydrophobicContact CB-CD1 4.42Å; R27-F82 HydrophobicContact CB-CE1 3.89Å; R27-F82 HydrophobicContact CB-CZ 4.34Å; R27-F82 HydrophobicContact CG-CE1 4.42Å; R27-F82 WeakPolarHBondContact O-CD1 3.48Å; L77-F82 HydrophobicContact CB-CD2 4.21Å; L77-F82 HydrophobicContact CD2-CD2 4.24Å; L77-F82 HydrophobicContact CD2-CE2 3.87Å; L77-F82 WeakPolarHBondContact O-CA 3.38Å; L77-F82 WeakPolarHBondContact O-CB 3.41Å; L77-F82 PolarHBondContact O-N 3.29Å; F82-A84 PolarHBondContact O-N 3.42Å; F82-A84 VanDerWaalsContact O-N 3.11Å; F82-T85 PolarHBondContact O-N 3.5Å; F82-T85 PolarHBondContact O-OG1 3.11Å
83K95.3Very high95.2Very high142 Ų14261.5 Ų61.562%0.61732%0.321SS*.G310 helixtrans-50.6-37.8-178.9-175.4-174.3177.9-179.80113.4M78 F79 T85 Y86M78-K83 VanDerWaalsContact O-CA 3.28Å; M78-K83 WeakPolarHBondContact O-CA 3.34Å; M78-K83 PolarHBondContact O-N 3.39Å; F79-K83 WeakPolarHBondContact O-CD 3.12Å; K83-T85 PolarHBondContact O-N 3Å; K83-Y86 WeakPolarHBondContact O-CB 3.29Å; K83-Y86 PolarHBondContact O-N 3.26Å
84A95.5Very high95.2Very high110 Ų11065.4 Ų65.491%0.90933%0.33SS*.G310 helixtrans-64.7-19.2-179.800000114.1F82F82-A84 PolarHBondContact O-N 3.42Å; F82-A84 VanDerWaalsContact O-N 3.11Å
85T95Very high95.1Very high48 Ų4866.9 Ų66.929%0.29434%0.339SS..G310 helixtrans-98.2-3.1-18068.10000113.3S28 C29 A30 F82 K83S28-T85 WeakPolarHBondContact CA-OG1 3.23Å; C29-T85 PolarHBondContact N-OG1 2.89Å; A30-T85 PolarHBondContact N-O 2.93Å; F82-T85 PolarHBondContact O-N 3.5Å; F82-T85 PolarHBondContact O-OG1 3.11Å; K83-T85 PolarHBondContact O-N 3Å
86Y94.2Very high95.1Very high34 Ų3469.6 Ų69.613%0.13335%0.349CS..  trans-78.9127.7-179.5170-119.4000110.7M78 F79 K83 H88 D91M78-Y86 HydrophobicContact CE-CD2 4Å; M78-Y86 HydrophobicContact CE-CE2 4.26Å; F79-Y86 HydrophobicContact CE1-CE1 4.22Å; K83-Y86 WeakPolarHBondContact O-CB 3.29Å; K83-Y86 PolarHBondContact O-N 3.26Å; Y86-H88 HydrophobicContact CD1-CB 4.49Å; Y86-H88 HydrophobicContact CE1-CB 4.24Å; Y86-H88 PolarHBondContact O-N 3.08Å; Y86-H88 VanDerWaalsContact O-N 3.15Å; Y86-D91 HydrophobicContact CE2-CB 4.08Å; Y86-D91 WeakPolarHBondContact OH-CB 3.44Å; Y86-D91 VanDerWaalsContact OH-CG 3.26Å; Y86-D91 PolarHBondContact OH-OD2 3.42Å
87D90.3Very high95.1Very high46 Ų4669.5 Ų69.525%0.24635%0.352CS..  trans-8783.6-176.5-167.9-18000111.9N89 H90 D91D87-N89 PolarHBondContact O-N 3.45Å; D87-N89 WeakPolarHBondContact OD1-CB 3.1Å; D87-N89 PolarHBondContact OD1-N 3.48Å; D87-N89 VanDerWaalsContact OD1-N 3.11Å; D87-H90 IonicContact OD1-CG 2.59Å; D87-H90 PolarHBondContact OD1-N 3.45Å; D87-H90 VanDerWaalsContact OD1-N 3.12Å; D87-H90 IonicContact OD1-ND1 3.51Å; D87-H90 PolarHBondContact OD1-ND1 2.99Å; D87-H90 VanDerWaalsContact OD1-ND1 3.16Å; D87-H90 IonicContact OD2-CE1 2.62Å; D87-H90 IonicContact OD2-CG 2.65Å; D87-H90 IonicContact OD2-ND1 3.04Å; D87-H90 PolarHBondContact OD2-ND1 3.28Å; D87-D91 PolarHBondContact O-N 2.91Å; D87-D91 VanDerWaalsContact O-N 3.16Å
88H90.7Very high95.1Very high117 Ų11769.7 Ų69.754%0.54235%0.353SS..THydrogen-bonded Turntrans-65.4-22.8177-172.9-85000113.1Y86Y86-H88 HydrophobicContact CD1-CB 4.49Å; Y86-H88 HydrophobicContact CE1-CB 4.24Å; Y86-H88 PolarHBondContact O-N 3.08Å; Y86-H88 VanDerWaalsContact O-N 3.15Å
89N90.8Very high95.2Very high131 Ų13172 Ų7270%0.70137%0.367SS*.THydrogen-bonded Turntrans-74.9-33.9-175.7-66.8-26.6000111.9D87 T92D87-N89 PolarHBondContact O-N 3.45Å; D87-N89 WeakPolarHBondContact OD1-CB 3.1Å; D87-N89 PolarHBondContact OD1-N 3.48Å; D87-N89 VanDerWaalsContact OD1-N 3.11Å; N89-T92 WeakPolarHBondContact O-CG2 3.33Å
90H91.1Very high95.3Very high70 Ų7073 Ų7332%0.32438%0.375SS..THydrogen-bonded Turntrans-93.3-27.1176.8-63.297.2000113.1D87 T92 M137 T141D87-H90 IonicContact OD1-CG 2.59Å; D87-H90 PolarHBondContact OD1-N 3.45Å; D87-H90 VanDerWaalsContact OD1-N 3.12Å; D87-H90 IonicContact OD1-ND1 3.51Å; D87-H90 PolarHBondContact OD1-ND1 2.99Å; D87-H90 VanDerWaalsContact OD1-ND1 3.16Å; D87-H90 IonicContact OD2-CE1 2.62Å; D87-H90 IonicContact OD2-CG 2.65Å; D87-H90 IonicContact OD2-ND1 3.04Å; D87-H90 PolarHBondContact OD2-ND1 3.28Å; H90-T92 VanDerWaalsContact C-N 3.32Å; H90-T92 PolarHBondContact O-N 3.25Å; H90-M137 HydrophobicContact CB-CG 3.83Å; H90-T141 HydrophobicContact CB-CG2 3.9Å
91D93.7Very high95.3Very high0 Ų072.3 Ų72.30%037%0.368CS..  trans-82.671.4175.5-163.9-5.1000112.2S33 G34 R35 Y86 D87 M137S33-D91 VanDerWaalsContact C-OD2 3.27Å; S33-D91 WeakPolarHBondContact CA-OD2 3.34Å; S33-D91 VanDerWaalsContact CB-OD2 3.32Å; S33-D91 WeakPolarHBondContact CB-OD2 3.48Å; S33-D91 PolarHBondContact OG-OD1 3.22Å; S33-D91 PolarHBondContact OG-OD2 2.99Å; G34-D91 PolarHBondContact N-OD2 3.07Å; R35-D91 WeakPolarHBondContact CD-OD1 3.16Å; R35-D91 WeakPolarHBondContact CG-OD1 3.06Å; R35-D91 PolarHBondContact N-OD2 3.49Å; R35-D91 VanDerWaalsContact N-OD2 3.1Å; R35-D91 PolarHBondContact NE-O 2.89Å; R35-D91 IonicContact NE-OD1 2.76Å; R35-D91 PolarHBondContact NH2-O 3.19Å; Y86-D91 HydrophobicContact CE2-CB 4.08Å; Y86-D91 WeakPolarHBondContact OH-CB 3.44Å; Y86-D91 VanDerWaalsContact OH-CG 3.26Å; Y86-D91 PolarHBondContact OH-OD2 3.42Å; D87-D91 PolarHBondContact O-N 2.91Å; D87-D91 VanDerWaalsContact O-N 3.16Å; D91-M137 HydrophobicContact CB-SD 3.99Å
92T94.7Very high95.4Very high53 Ų5367.7 Ų67.733%0.32535%0.349SS..  trans-106.88.9-175.476.60000114.3N89 H90 R94 K140N89-T92 WeakPolarHBondContact O-CG2 3.33Å; H90-T92 VanDerWaalsContact C-N 3.32Å; H90-T92 PolarHBondContact O-N 3.25Å; T92-R94 PolarHBondContact O-N 3.03Å; T92-K140 PolarHBondContact OG1-NZ 3.26Å
93F95.5Very high95.5Very high38 Ų3868.3 Ų68.317%0.16736%0.359CS..  trans-68.8126.6-174.6-169.7-78.7000111.3R35 V95 L98 L132 P133 F136R35-F93 WeakPolarHBondContact CD-O 3.34Å; R35-F93 PolarHBondContact NH1-O 3.44Å; F93-V95 PolarHBondContact O-N 3.32Å; F93-V95 VanDerWaalsContact O-N 3.11Å; F93-L98 HydrophobicContact CD1-CD1 4.13Å; F93-L98 HydrophobicContact CE1-CD1 3.55Å; F93-L98 HydrophobicContact CE1-CD2 3.74Å; F93-L98 HydrophobicContact CE1-CG 3.6Å; F93-L98 HydrophobicContact CZ-CD1 4.29Å; F93-L98 HydrophobicContact CZ-CD2 3.9Å; F93-L98 HydrophobicContact CZ-CG 4.28Å; F93-L132 HydrophobicContact CE2-CB 4.22Å; F93-L132 HydrophobicContact CZ-CB 4.09Å; F93-P133 HydrophobicContact CB-CB 3.82Å; F93-P133 HydrophobicContact CB-CG 4.18Å; F93-P133 HydrophobicContact CD1-CB 4.38Å; F93-P133 HydrophobicContact CD1-CG 3.79Å; F93-P133 HydrophobicContact CG-CB 4.17Å; F93-P133 HydrophobicContact CG-CG 4.07Å; F93-F136 HydrophobicContact CB-CD1 4Å; F93-F136 HydrophobicContact CB-CG 4.46Å; F93-F136 HydrophobicContact CD2-CB 3.7Å; F93-F136 HydrophobicContact CD2-CD1 4.02Å; F93-F136 HydrophobicContact CD2-CD2 4.13Å; F93-F136 AromaticContact CD2-CG 3.7Å; F93-F136 HydrophobicContact CD2-CG 3.7Å; F93-F136 HydrophobicContact CE2-CB 4.45Å
94R96.9Very high95.6Very high141 Ų14166.5 Ų66.553%0.53236%0.355SS..  trans-75.1100.1-179.4-71.5-175.163.7-1742.6111.3T92 E96 F97T92-R94 PolarHBondContact O-N 3.03Å; R94-E96 VanDerWaalsContact C-OE2 3.25Å; R94-E96 WeakPolarHBondContact CA-OE2 3.4Å; R94-E96 WeakPolarHBondContact CB-OE2 3.33Å; R94-E96 PolarHBondContact O-N 3.22Å; R94-F97 HydrophobicContact CB-CD2 3.55Å; R94-F97 HydrophobicContact CB-CE2 3.76Å; R94-F97 HydrophobicContact CG-CE2 4.32Å; R94-F97 PolarHBondContact O-N 3.47Å
95V97.2Very high95.7Very high34 Ų3464.9 Ų64.921%0.20633%0.331CS..THydrogen-bonded Turntrans-66.4-20.4-175.5-64.50000113.2R35 L39 F93 F97 L98 V99 P133R35-V95 HydrophobicContact CB-CG1 3.76Å; R35-V95 HydrophobicContact CG-CG1 4.21Å; L39-V95 HydrophobicContact CD1-CB 4.36Å; L39-V95 HydrophobicContact CD1-CG1 4Å; L39-V95 HydrophobicContact CD2-CB 4.31Å; L39-V95 HydrophobicContact CG-CG1 4.33Å; F93-V95 PolarHBondContact O-N 3.32Å; F93-V95 VanDerWaalsContact O-N 3.11Å; V95-F97 PolarHBondContact O-N 2.94Å; V95-L98 WeakPolarHBondContact O-CB 3.33Å; V95-L98 PolarHBondContact O-N 3.05Å; V95-V99 WeakPolarHBondContact O-CG2 3.38Å; V95-V99 PolarHBondContact O-N 3.13Å; V95-P133 HydrophobicContact CG1-CG 4.37Å
96E97.4Very high95.8Very high86 Ų8662.7 Ų62.740%0.40232%0.317SS..Hα-helixtrans-59.7-34.5176.9-54.583.7175.400111R94 L98 I100R94-E96 VanDerWaalsContact C-OE2 3.25Å; R94-E96 WeakPolarHBondContact CA-OE2 3.4Å; R94-E96 WeakPolarHBondContact CB-OE2 3.33Å; R94-E96 PolarHBondContact O-N 3.22Å; E96-L98 PolarHBondContact O-N 3.36Å; E96-I100 HydrophobicContact CB-CD1 4.11Å; E96-I100 VanDerWaalsContact O-CB 3.32Å; E96-I100 WeakPolarHBondContact O-CB 3.27Å; E96-I100 WeakPolarHBondContact O-CG1 3.38Å; E96-I100 PolarHBondContact O-N 2.72Å
97F97.5Very high95.9Very high126 Ų12665.5 Ų65.555%0.55333%0.334SS*.Hα-helixtrans-70-7175.4-63.6-48000114R94 V95 P101R94-F97 HydrophobicContact CB-CD2 3.55Å; R94-F97 HydrophobicContact CB-CE2 3.76Å; R94-F97 HydrophobicContact CG-CE2 4.32Å; R94-F97 PolarHBondContact O-N 3.47Å; V95-F97 PolarHBondContact O-N 2.94Å; F97-P101 WeakPolarHBondContact O-CD 3.38Å; F97-P101 VanDerWaalsContact O-CG 3.31Å; F97-P101 WeakPolarHBondContact O-CG 3.21Å
98L98.1Very high96.2Very high11 Ų1168.8 Ų68.86%0.05836%0.356CS..Hα-helixtrans-105.6-48.3174.5-50.6-177.1000110.5L39 F93 V95 E96 A102 L126 V129 L132 P133L39-L98 HydrophobicContact CD1-CD1 3.78Å; F93-L98 HydrophobicContact CD1-CD1 4.13Å; F93-L98 HydrophobicContact CE1-CD1 3.55Å; F93-L98 HydrophobicContact CE1-CD2 3.74Å; F93-L98 HydrophobicContact CE1-CG 3.6Å; F93-L98 HydrophobicContact CZ-CD1 4.29Å; F93-L98 HydrophobicContact CZ-CD2 3.9Å; F93-L98 HydrophobicContact CZ-CG 4.28Å; V95-L98 WeakPolarHBondContact O-CB 3.33Å; V95-L98 PolarHBondContact O-N 3.05Å; E96-L98 PolarHBondContact O-N 3.36Å; L98-A102 WeakPolarHBondContact O-CB 3.42Å; L98-A102 PolarHBondContact O-N 3.14Å; L98-A102 VanDerWaalsContact O-N 3.11Å; L98-L126 HydrophobicContact CB-CD1 4.26Å; L98-V129 HydrophobicContact CB-CG2 3.96Å; L98-V129 HydrophobicContact CD2-CB 4.19Å; L98-V129 HydrophobicContact CD2-CG2 4.24Å; L98-V129 HydrophobicContact CG-CG2 4.49Å; L98-L132 HydrophobicContact CD1-CB 4.22Å; L98-L132 HydrophobicContact CD2-CD1 3.66Å; L98-P133 HydrophobicContact CD1-CG 4.06Å
99V98.4Very high96.5Very high48 Ų4867.3 Ų67.329%0.29135%0.351SS..Hα-helixtrans-66.8-45.6-176177.70000111.3L39 V95 A102 A103 F122 L126L39-V99 HydrophobicContact CD2-CG2 3.58Å; V95-V99 WeakPolarHBondContact O-CG2 3.38Å; V95-V99 PolarHBondContact O-N 3.13Å; V99-A102 PolarHBondContact O-N 2.75Å; V99-A103 VanDerWaalsContact O-CB 3.32Å; V99-A103 WeakPolarHBondContact O-CB 3.43Å; V99-A103 PolarHBondContact O-N 3.46Å; V99-F122 HydrophobicContact CG1-CE2 4.35Å; V99-F122 HydrophobicContact CG1-CZ 4.25Å; V99-L126 HydrophobicContact CG2-CD1 4.06Å
100I98.2Very high96.7Very high98 Ų9862.3 Ų62.350%0.50332%0.324SS..Hα-helixtrans-64.9-51.8-176.8-63.1169.8000110.7E96 A102 A103 L104E96-I100 HydrophobicContact CB-CD1 4.11Å; E96-I100 VanDerWaalsContact O-CB 3.32Å; E96-I100 WeakPolarHBondContact O-CB 3.27Å; E96-I100 WeakPolarHBondContact O-CG1 3.38Å; E96-I100 PolarHBondContact O-N 2.72Å; I100-A102 VanDerWaalsContact C-N 3.35Å; I100-A102 PolarHBondContact O-N 2.99Å; I100-A103 PolarHBondContact O-N 3.46Å; I100-L104 HydrophobicContact CG2-CD1 3.94Å; I100-L104 HydrophobicContact CG2-CG 4.32Å; I100-L104 WeakPolarHBondContact O-CG 3.44Å; I100-L104 PolarHBondContact O-N 3.41Å
101P98.2Very high96.9Very high61 Ų6163.5 Ų63.540%0.39633%0.33SS..Hα-helixtrans-62.1-39177.1-26.438.4000113.4F97 A103 L104 L105F97-P101 WeakPolarHBondContact O-CD 3.38Å; F97-P101 VanDerWaalsContact O-CG 3.31Å; F97-P101 WeakPolarHBondContact O-CG 3.21Å; P101-A103 VanDerWaalsContact C-N 3.33Å; P101-A103 PolarHBondContact O-N 3.38Å; P101-L104 PolarHBondContact O-N 3.02Å; P101-L105 WeakPolarHBondContact O-CB 3.5Å; P101-L105 VanDerWaalsContact O-CG 3.28Å; P101-L105 WeakPolarHBondContact O-CG 3.45Å; P101-L105 PolarHBondContact O-N 3Å
102A98.2Very high96.8Very high4 Ų468.3 Ų68.33%0.03336%0.355CS..Hα-helixtrans-62.7-40.3176.500000112.2L98 V99 I100 A106 F122 L126L98-A102 WeakPolarHBondContact O-CB 3.42Å; L98-A102 PolarHBondContact O-N 3.14Å; L98-A102 VanDerWaalsContact O-N 3.11Å; V99-A102 PolarHBondContact O-N 2.75Å; I100-A102 VanDerWaalsContact C-N 3.35Å; I100-A102 PolarHBondContact O-N 2.99Å; A102-A106 WeakPolarHBondContact O-CB 3.34Å; A102-A106 PolarHBondContact O-N 2.97Å; A102-F122 HydrophobicContact CB-CD2 4.07Å; A102-F122 HydrophobicContact CB-CE2 4.01Å; A102-L126 HydrophobicContact CB-CB 4Å; A102-L126 HydrophobicContact CB-CD1 4.31Å
103A98.1Very high96.8Very high36 Ų3672.9 Ų72.930%0.29837%0.371SS..Hα-helixtrans-67.8-44.7176.600000111.9V99 I100 P101 A106 L107 F122V99-A103 VanDerWaalsContact O-CB 3.32Å; V99-A103 WeakPolarHBondContact O-CB 3.43Å; V99-A103 PolarHBondContact O-N 3.46Å; I100-A103 PolarHBondContact O-N 3.46Å; P101-A103 VanDerWaalsContact C-N 3.33Å; P101-A103 PolarHBondContact O-N 3.38Å; A103-A106 PolarHBondContact O-N 3.41Å; A103-L107 WeakPolarHBondContact O-CG 3.42Å; A103-L107 PolarHBondContact O-N 3.43Å; A103-L107 VanDerWaalsContact O-N 3.09Å; A103-F122 HydrophobicContact CB-CD2 4.09Å; A103-F122 HydrophobicContact CB-CE2 4.05Å
104L98.1Very high96.7Very high104 Ų10475.1 Ų75.155%0.54538%0.382SS..Hα-helixtrans-62.1-43.6176.3-68.8176000111.6I100 P101 A106 L107 V108I100-L104 HydrophobicContact CG2-CD1 3.94Å; I100-L104 HydrophobicContact CG2-CG 4.32Å; I100-L104 WeakPolarHBondContact O-CG 3.44Å; I100-L104 PolarHBondContact O-N 3.41Å; P101-L104 PolarHBondContact O-N 3.02Å; L104-A106 VanDerWaalsContact C-N 3.34Å; L104-A106 PolarHBondContact O-N 3.19Å; L104-L107 PolarHBondContact O-N 3.28Å; L104-V108 WeakPolarHBondContact O-CG2 3.33Å; L104-V108 PolarHBondContact O-N 3.33Å; L104-V108 VanDerWaalsContact O-N 3.11Å
105L97.5Very high96.5Very high77 Ų7775.9 Ų75.940%0.40339%0.386SS..Hα-helixtrans-60.7-42.9176-76.6171.8000111.7P101 L107 V108 I109 Y125P101-L105 WeakPolarHBondContact O-CB 3.5Å; P101-L105 VanDerWaalsContact O-CG 3.28Å; P101-L105 WeakPolarHBondContact O-CG 3.45Å; P101-L105 PolarHBondContact O-N 3Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.31Å; L105-V108 PolarHBondContact O-N 2.87Å; L105-I109 WeakPolarHBondContact O-CA 3.49Å; L105-I109 PolarHBondContact O-N 3Å; L105-Y125 HydrophobicContact CB-CD2 3.8Å; L105-Y125 HydrophobicContact CB-CE2 3.85Å; L105-Y125 HydrophobicContact CB-CG 4.23Å
106A97.5Very high96.4Very high1 Ų176.1 Ų76.11%0.00839%0.387CS..Hα-helixtrans-65.3-29.9177.400000113.7A102 A103 L104 N110 I118 T121 F122 Y125A102-A106 WeakPolarHBondContact O-CB 3.34Å; A102-A106 PolarHBondContact O-N 2.97Å; A103-A106 PolarHBondContact O-N 3.41Å; L104-A106 VanDerWaalsContact C-N 3.34Å; L104-A106 PolarHBondContact O-N 3.19Å; A106-N110 WeakPolarHBondContact O-CB 3.09Å; A106-N110 PolarHBondContact O-ND2 3.02Å; A106-I118 HydrophobicContact CB-CG2 4.43Å; A106-T121 HydrophobicContact CB-CG2 4Å; A106-F122 HydrophobicContact CB-CB 3.72Å; A106-Y125 HydrophobicContact CB-CD2 4.19Å
107L96.7Very high96.3Very high93 Ų9374.5 Ų74.549%0.48738%0.38SS..Hα-helixtrans-76.1-30.2175.9-69.7172000112.9A103 L104 L105 N110 F113 I118A103-L107 WeakPolarHBondContact O-CG 3.42Å; A103-L107 PolarHBondContact O-N 3.43Å; A103-L107 VanDerWaalsContact O-N 3.09Å; L104-L107 PolarHBondContact O-N 3.28Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.31Å; L107-N110 PolarHBondContact O-ND2 2.69Å; L107-F113 WeakPolarHBondContact O-CE1 3.39Å; L107-I118 HydrophobicContact CD2-CD1 4.5Å; L107-I118 HydrophobicContact CD2-CG2 3.97Å
108V96.4Very high96.3Very high115 Ų11570 Ų7070%0.69736%0.361SS*.Hα-helixtrans-91.8-39.7-178178.20000112L104 L105L104-V108 WeakPolarHBondContact O-CG2 3.33Å; L104-V108 PolarHBondContact O-N 3.33Å; L104-V108 VanDerWaalsContact O-N 3.11Å; L105-V108 PolarHBondContact O-N 2.87Å
109I96.5Very high96.3Very high86 Ų8672.6 Ų72.644%0.44138%0.375SS..SBendtrans-124.399.6-176-52.8179.2000107.9L105 T121 Y125 I179L105-I109 WeakPolarHBondContact O-CA 3.49Å; L105-I109 PolarHBondContact O-N 3Å; I109-T121 WeakPolarHBondContact O-CG2 3.4Å; I109-Y125 WeakPolarHBondContact CG2-OH 2.73Å; I109-I179 HydrophobicContact CG2-CD1 4.15Å; I109-I179 HydrophobicContact CG2-CG1 4.45Å
110N95.6Very high96.2Very high27 Ų2773.8 Ų73.814%0.14437%0.374CS..  trans-141.3167.8174.855.376.3000109.8A106 L107 D112 T121A106-N110 WeakPolarHBondContact O-CB 3.09Å; A106-N110 PolarHBondContact O-ND2 3.02Å; L107-N110 PolarHBondContact O-ND2 2.69Å; N110-D112 PolarHBondContact OD1-N 3.11Å; N110-D112 PolarHBondContact OD1-O 3.39Å; N110-D112 VanDerWaalsContact OD1-O 3.14Å; N110-T121 HydrophobicContact CB-CG2 4.28Å
111H93.5Very high96.2Very high95 Ų9569.1 Ų69.144%0.4435%0.35SS..SBendtrans-78.6-36.8174.9-60.589000112.7E117 W120 D177H111-E117 HydrophobicContact CB-CG 4.22Å; H111-E117 IonicContact CG-OE1 3.93Å; H111-E117 IonicContact ND1-OE1 3.46Å; H111-E117 PolarHBondContact ND1-OE1 3.49Å; H111-W120 AromaticContact CE1-CZ3 3.77Å; H111-W120 AromaticContact ND1-CZ3 3.87Å; H111-D177 IonicContact CE1-OD1 3.16Å; H111-D177 PolarHBondContact CE1-OD1 2.93Å; H111-D177 IonicContact CE1-OD2 3.84Å; H111-D177 IonicContact NE2-OD1 2.88Å; H111-D177 PolarHBondContact NE2-OD1 3.02Å; H111-D177 IonicContact NE2-OD2 3.97Å
112D93.1Very high96.2Very high100 Ų10067.3 Ų67.354%0.53534%0.336SS..  trans-152148.3177.9-172.521.5000111N110 H114 E117N110-D112 PolarHBondContact OD1-N 3.11Å; N110-D112 PolarHBondContact OD1-O 3.39Å; N110-D112 VanDerWaalsContact OD1-O 3.14Å; D112-H114 PolarHBondContact O-N 3.16Å; D112-E117 HydrophobicContact CB-CB 4.48Å; D112-E117 HydrophobicContact CB-CG 4.11Å
113F93.4Very high96.2Very high149 Ų14967.1 Ų67.165%0.65434%0.335SS*.SBendtrans-80.727.8-178.7-83.3-83.5000113.2L107 I118L107-F113 WeakPolarHBondContact O-CE1 3.39Å; F113-I118 HydrophobicContact CD1-CD1 4.26Å
114H94.3Very high96.2Very high86 Ų8666.1 Ų66.140%0.39832%0.324SS..  trans-83.7139.2170-16562.4000110.5D112 V116 E117 I118D112-H114 PolarHBondContact O-N 3.16Å; H114-V116 VanDerWaalsContact C-N 3.27Å; H114-V116 PolarHBondContact O-N 3.43Å; H114-E117 HydrophobicContact CB-CB 4.29Å; H114-E117 WeakPolarHBondContact O-CB 3.33Å; H114-E117 PolarHBondContact O-N 2.96Å; H114-I118 WeakPolarHBondContact O-CG1 3.31Å; H114-I118 PolarHBondContact O-N 2.72Å
115Y93.6Very high96.2Very high156 Ų15662.5 Ų62.561%0.61230%0.303SS*.Hα-helixtrans-58.8-36-173.762.5-90.2000113.3L119Y115-L119 WeakPolarHBondContact O-CB 3.37Å; Y115-L119 VanDerWaalsContact O-CG 3.31Å; Y115-L119 WeakPolarHBondContact O-CG 3.38Å; Y115-L119 PolarHBondContact O-N 3.29Å; Y115-L119 VanDerWaalsContact O-N 3.08Å
116V94.4Very high96.3Very high39 Ų3958.8 Ų58.824%0.23628%0.284CS..Hα-helixtrans-66-40.4175.5-175.60000111.1L49 H114 L119 W120L49-V116 HydrophobicContact CB-CG1 4.44Å; H114-V116 VanDerWaalsContact C-N 3.27Å; H114-V116 PolarHBondContact O-N 3.43Å; V116-L119 PolarHBondContact O-N 3.01Å; V116-W120 WeakPolarHBondContact O-CB 3.24Å; V116-W120 PolarHBondContact O-N 3.48Å
117E94.9Very high96.3Very high52 Ų5258.8 Ų58.824%0.24328%0.284CS..Hα-helixtrans-70.4-39.2-179.2-171.656.5-140.500111.6H111 D112 H114 L119 W120 T121H111-E117 HydrophobicContact CB-CG 4.22Å; H111-E117 IonicContact CG-OE1 3.93Å; H111-E117 IonicContact ND1-OE1 3.46Å; H111-E117 PolarHBondContact ND1-OE1 3.49Å; D112-E117 HydrophobicContact CB-CB 4.48Å; D112-E117 HydrophobicContact CB-CG 4.11Å; H114-E117 HydrophobicContact CB-CB 4.29Å; H114-E117 WeakPolarHBondContact O-CB 3.33Å; H114-E117 PolarHBondContact O-N 2.96Å; E117-L119 PolarHBondContact O-N 3.45Å; E117-W120 PolarHBondContact O-N 3.49Å; E117-W120 VanDerWaalsContact OE1-CE3 3.23Å; E117-T121 VanDerWaalsContact O-CB 3.31Å; E117-T121 WeakPolarHBondContact O-CB 3.4Å; E117-T121 PolarHBondContact O-N 2.89Å; E117-T121 PolarHBondContact O-OG1 3.42Å
118I97.4Very high96.3Very high31 Ų3154.8 Ų54.816%0.15926%0.263CS..Hα-helixtrans-61.4-44.3172.8-65.2169.3000110.5A106 L107 F113 H114 T121 F122A106-I118 HydrophobicContact CB-CG2 4.43Å; L107-I118 HydrophobicContact CD2-CD1 4.5Å; L107-I118 HydrophobicContact CD2-CG2 3.97Å; F113-I118 HydrophobicContact CD1-CD1 4.26Å; H114-I118 WeakPolarHBondContact O-CG1 3.31Å; H114-I118 PolarHBondContact O-N 2.72Å; I118-T121 PolarHBondContact O-N 2.9Å; I118-F122 VanDerWaalsContact O-CB 3.28Å; I118-F122 WeakPolarHBondContact O-CB 3.35Å; I118-F122 PolarHBondContact O-N 3.41Å
119L97.5Very high96.4Very high66 Ų6650.7 Ų50.735%0.34624%0.238SC..Hα-helixtrans-68-37177.9-72.9170.8000112.2A46 L49 Y115 V116 E117 S123A46-L119 HydrophobicContact CB-CB 4.44Å; L49-L119 HydrophobicContact CD1-CB 4.09Å; L49-L119 HydrophobicContact CD1-CD1 3.42Å; L49-L119 VanDerWaalsContact CD1-CD1 3.42Å; L49-L119 HydrophobicContact CD1-CG 4.37Å; Y115-L119 WeakPolarHBondContact O-CB 3.37Å; Y115-L119 VanDerWaalsContact O-CG 3.31Å; Y115-L119 WeakPolarHBondContact O-CG 3.38Å; Y115-L119 PolarHBondContact O-N 3.29Å; Y115-L119 VanDerWaalsContact O-N 3.08Å; V116-L119 PolarHBondContact O-N 3.01Å; E117-L119 PolarHBondContact O-N 3.45Å; L119-S123 PolarHBondContact O-N 3.03Å
120W97.5Very high96.4Very high73 Ų7346.6 Ų46.628%0.27722%0.217SC..Hα-helixtrans-63.7-46.7173.2-177.990.9000111.3H111 V116 E117 S123 I124H111-W120 AromaticContact CE1-CZ3 3.77Å; H111-W120 AromaticContact ND1-CZ3 3.87Å; V116-W120 WeakPolarHBondContact O-CB 3.24Å; V116-W120 PolarHBondContact O-N 3.48Å; E117-W120 PolarHBondContact O-N 3.49Å; E117-W120 VanDerWaalsContact OE1-CE3 3.23Å; W120-S123 VanDerWaalsContact O-CB 3.32Å; W120-S123 WeakPolarHBondContact O-CB 3.49Å; W120-S123 PolarHBondContact O-N 3.28Å; W120-S123 VanDerWaalsContact O-N 3.13Å; W120-S123 PolarHBondContact O-OG 3.43Å; W120-I124 HydrophobicContact CD2-CD1 4.02Å; W120-I124 HydrophobicContact CE3-CD1 3.73Å; W120-I124 HydrophobicContact CH2-CD1 3.24Å; W120-I124 HydrophobicContact CZ2-CD1 3.54Å; W120-I124 HydrophobicContact CZ3-CD1 3.34Å; W120-I124 PolarHBondContact O-N 2.97Å
121T97.9Very high96.4Very high0 Ų045.3 Ų45.30%021%0.211CC..Hα-helixtrans-61.3-45.9176-63.10000111.4A106 I109 N110 E117 I118 S123 I124 Y125 I179A106-T121 HydrophobicContact CB-CG2 4Å; I109-T121 WeakPolarHBondContact O-CG2 3.4Å; N110-T121 HydrophobicContact CB-CG2 4.28Å; E117-T121 VanDerWaalsContact O-CB 3.31Å; E117-T121 WeakPolarHBondContact O-CB 3.4Å; E117-T121 PolarHBondContact O-N 2.89Å; E117-T121 PolarHBondContact O-OG1 3.42Å; I118-T121 PolarHBondContact O-N 2.9Å; T121-S123 VanDerWaalsContact C-N 3.27Å; T121-S123 PolarHBondContact O-N 3.26Å; T121-I124 WeakPolarHBondContact O-CB 3.31Å; T121-I124 PolarHBondContact O-N 2.71Å; T121-Y125 HydrophobicContact CG2-CD2 3.88Å; T121-Y125 HydrophobicContact CG2-CE2 3.43Å; T121-Y125 VanDerWaalsContact CG2-CE2 3.43Å; T121-Y125 WeakPolarHBondContact O-CD2 3.47Å; T121-Y125 PolarHBondContact O-N 3.37Å; T121-Y125 VanDerWaalsContact O-N 3.13Å; T121-I179 HydrophobicContact CG2-CD1 4.04Å; T121-I179 HydrophobicContact CG2-CG2 4.27Å
122F98.5Very high96.5Very high24 Ų2442.7 Ų42.711%0.10520%0.2CC..Hα-helixtrans-54.7-43.2172.6165.4-108.1000111.9V42 A46 V99 A102 A103 A106 I118 I124 Y125 L126V42-F122 HydrophobicContact CG1-CE1 3.93Å; V42-F122 HydrophobicContact CG1-CZ 4.29Å; A46-F122 HydrophobicContact CB-CD1 4.02Å; A46-F122 HydrophobicContact CB-CE1 4.39Å; V99-F122 HydrophobicContact CG1-CE2 4.35Å; V99-F122 HydrophobicContact CG1-CZ 4.25Å; A102-F122 HydrophobicContact CB-CD2 4.07Å; A102-F122 HydrophobicContact CB-CE2 4.01Å; A103-F122 HydrophobicContact CB-CD2 4.09Å; A103-F122 HydrophobicContact CB-CE2 4.05Å; A106-F122 HydrophobicContact CB-CB 3.72Å; I118-F122 VanDerWaalsContact O-CB 3.28Å; I118-F122 WeakPolarHBondContact O-CB 3.35Å; I118-F122 PolarHBondContact O-N 3.41Å; F122-I124 PolarHBondContact O-N 2.88Å; F122-Y125 PolarHBondContact O-N 3.44Å; F122-L126 HydrophobicContact CE1-CD2 3.98Å; F122-L126 HydrophobicContact CE2-CB 4.23Å; F122-L126 HydrophobicContact CE2-CD2 4.18Å; F122-L126 HydrophobicContact CZ-CB 4.33Å; F122-L126 HydrophobicContact CZ-CD2 3.55Å; F122-L126 HydrophobicContact CZ-CG 4.46Å; F122-L126 VanDerWaalsContact O-CB 3.31Å; F122-L126 WeakPolarHBondContact O-CB 2.87Å; F122-L126 PolarHBondContact O-N 2.86Å
123S98.3Very high96.7Very high0 Ų037.9 Ų37.90%017%0.174CC..Hα-helixtrans-59.5-36.6177.786.30000112.2V43 R47 L119 W120 T121 E127V43-S123 WeakPolarHBondContact O-CB 3.46Å; R47-S123 WeakPolarHBondContact CB-OG 3.45Å; R47-S123 PolarHBondContact NE-OG 2.97Å; R47-S123 PolarHBondContact NH2-O 3.27Å; R47-S123 VanDerWaalsContact NH2-O 3.13Å; R47-S123 PolarHBondContact NH2-OG 3.42Å; L119-S123 PolarHBondContact O-N 3.03Å; W120-S123 VanDerWaalsContact O-CB 3.32Å; W120-S123 WeakPolarHBondContact O-CB 3.49Å; W120-S123 PolarHBondContact O-N 3.28Å; W120-S123 VanDerWaalsContact O-N 3.13Å; W120-S123 PolarHBondContact O-OG 3.43Å; T121-S123 VanDerWaalsContact C-N 3.27Å; T121-S123 PolarHBondContact O-N 3.26Å; S123-E127 VanDerWaalsContact O-CB 3.23Å; S123-E127 WeakPolarHBondContact O-CB 3.46Å; S123-E127 PolarHBondContact O-N 3.48Å
124I98Very high96.8Very high15 Ų1530.8 Ų30.88%0.07714%0.143CC..Hα-helixtrans-69.4-49.5179.6-68.5175.3000110.4W120 T121 F122 E127 S128 I179 A183W120-I124 HydrophobicContact CD2-CD1 4.02Å; W120-I124 HydrophobicContact CE3-CD1 3.73Å; W120-I124 HydrophobicContact CH2-CD1 3.24Å; W120-I124 HydrophobicContact CZ2-CD1 3.54Å; W120-I124 HydrophobicContact CZ3-CD1 3.34Å; W120-I124 PolarHBondContact O-N 2.97Å; T121-I124 WeakPolarHBondContact O-CB 3.31Å; T121-I124 PolarHBondContact O-N 2.71Å; F122-I124 PolarHBondContact O-N 2.88Å; I124-E127 PolarHBondContact O-N 3.23Å; I124-S128 PolarHBondContact O-N 3.35Å; I124-I179 HydrophobicContact CG2-CG2 4.14Å; I124-A183 HydrophobicContact CG2-CB 3.44Å; I124-A183 VanDerWaalsContact CG2-CB 3.44Å
125Y98.4Very high96.7Very high27 Ų2728.1 Ų28.111%0.10613%0.132CC..Hα-helixtrans-62.2-46.3177.9-68.9-49.2000111.6L105 A106 I109 T121 F122 E127 S128 I179 A183L105-Y125 HydrophobicContact CB-CD2 3.8Å; L105-Y125 HydrophobicContact CB-CE2 3.85Å; L105-Y125 HydrophobicContact CB-CG 4.23Å; A106-Y125 HydrophobicContact CB-CD2 4.19Å; I109-Y125 WeakPolarHBondContact CG2-OH 2.73Å; T121-Y125 HydrophobicContact CG2-CD2 3.88Å; T121-Y125 HydrophobicContact CG2-CE2 3.43Å; T121-Y125 VanDerWaalsContact CG2-CE2 3.43Å; T121-Y125 WeakPolarHBondContact O-CD2 3.47Å; T121-Y125 PolarHBondContact O-N 3.37Å; T121-Y125 VanDerWaalsContact O-N 3.13Å; F122-Y125 PolarHBondContact O-N 3.44Å; Y125-E127 PolarHBondContact O-N 3.05Å; Y125-S128 PolarHBondContact O-N 2.9Å; Y125-S128 PolarHBondContact O-OG 3.46Å; Y125-I179 HydrophobicContact CE1-CG2 4.01Å; Y125-I179 HydrophobicContact CE2-CG2 4.33Å; Y125-A183 HydrophobicContact CD1-CB 4.39Å
126L98.6Very high96.6Very high0 Ų024.1 Ų24.10%012%0.117CC..Hα-helixtrans-65.2-42.2-179.4-176.661.3000112L39 V42 V43 L98 V99 A102 F122 S128 V129 A130L39-L126 HydrophobicContact CD2-CD1 4.24Å; L39-L126 HydrophobicContact CD2-CD2 4.35Å; V42-L126 HydrophobicContact CB-CD2 4.39Å; V42-L126 HydrophobicContact CG1-CD2 3.9Å; V43-L126 HydrophobicContact CG2-CB 3.91Å; V43-L126 HydrophobicContact CG2-CD2 3.87Å; V43-L126 HydrophobicContact CG2-CG 3.75Å; L98-L126 HydrophobicContact CB-CD1 4.26Å; V99-L126 HydrophobicContact CG2-CD1 4.06Å; A102-L126 HydrophobicContact CB-CB 4Å; A102-L126 HydrophobicContact CB-CD1 4.31Å; F122-L126 HydrophobicContact CE1-CD2 3.98Å; F122-L126 HydrophobicContact CE2-CB 4.23Å; F122-L126 HydrophobicContact CE2-CD2 4.18Å; F122-L126 HydrophobicContact CZ-CB 4.33Å; F122-L126 HydrophobicContact CZ-CD2 3.55Å; F122-L126 HydrophobicContact CZ-CG 4.46Å; F122-L126 VanDerWaalsContact O-CB 3.31Å; F122-L126 WeakPolarHBondContact O-CB 2.87Å; F122-L126 PolarHBondContact O-N 2.86Å; L126-S128 PolarHBondContact O-N 3.29Å; L126-V129 HydrophobicContact CD1-CG2 4.41Å; L126-V129 WeakPolarHBondContact O-CG2 3.2Å; L126-V129 PolarHBondContact O-N 3.03Å; L126-V129 VanDerWaalsContact O-N 3.15Å; L126-A130 VanDerWaalsContact O-CB 3.31Å; L126-A130 WeakPolarHBondContact O-CB 3.4Å; L126-A130 PolarHBondContact O-N 2.86Å
127E98Very high96.5Very high1 Ų122.3 Ų22.31%0.00511%0.106CC..Hα-helixtrans-60.1-35.1178.5-165.3-177.3-172.800112.1H12 F40 V43 R47 S123 I124 Y125 V129 A130 Y158 R159H12-E127 IonicContact CE1-OE1 3.52Å; F40-E127 HydrophobicContact CD1-CG 4.41Å; F40-E127 HydrophobicContact CE1-CG 4.14Å; V43-E127 HydrophobicContact CB-CB 4.48Å; V43-E127 HydrophobicContact CG1-CB 3.69Å; V43-E127 HydrophobicContact CG1-CG 3.92Å; V43-E127 HydrophobicContact CG2-CB 3.96Å; R47-E127 IonicContact CZ-OE2 3.7Å; R47-E127 VanDerWaalsContact NH1-CD 3.31Å; R47-E127 IonicContact NH1-OE1 3.12Å; R47-E127 IonicContact NH1-OE2 3.91Å; R47-E127 PolarHBondContact NH1-OE2 2.87Å; R47-E127 IonicContact NH2-OE2 2.65Å; R47-E127 PolarHBondContact NH2-OE2 3.18Å; S123-E127 VanDerWaalsContact O-CB 3.23Å; S123-E127 WeakPolarHBondContact O-CB 3.46Å; S123-E127 PolarHBondContact O-N 3.48Å; I124-E127 PolarHBondContact O-N 3.23Å; Y125-E127 PolarHBondContact O-N 3.05Å; E127-V129 PolarHBondContact O-N 3.39Å; E127-V129 VanDerWaalsContact O-N 3.15Å; E127-A130 PolarHBondContact O-N 3.3Å; E127-Y158 PolarHBondContact OE1-OH 3.04Å; E127-R159 IonicContact OE1-NH2 3.51Å; E127-R159 PolarHBondContact OE1-NH2 2.97Å; E127-R159 VanDerWaalsContact OE1-NH2 3.12Å; E127-R159 IonicContact OE2-CZ 3.64Å; E127-R159 IonicContact OE2-NH1 3.16Å; E127-R159 IonicContact OE2-NH2 3.88Å; E127-R159 PolarHBondContact OE2-NH2 3.38Å
128S96.8Very high96.3Very high8 Ų820 Ų206%0.05610%0.095CC..Hα-helixtrans-60.4-27.8-179.276.20000113.1I124 Y125 L126 A183 L190I124-S128 PolarHBondContact O-N 3.35Å; Y125-S128 PolarHBondContact O-N 2.9Å; Y125-S128 PolarHBondContact O-OG 3.46Å; L126-S128 PolarHBondContact O-N 3.29Å; S128-A183 VanDerWaalsContact CB-O 3.31Å; S128-A183 WeakPolarHBondContact CB-O 3.07Å; S128-L190 WeakPolarHBondContact O-CD1 3.28Å
129V97.7Very high95.8Very high29 Ų2920.5 Ų20.518%0.17610%0.102CC..Hα-helixtrans-115.8-7.8-177.1-64.20000113.8L98 L126 E127 I131 L132 L190L98-V129 HydrophobicContact CB-CG2 3.96Å; L98-V129 HydrophobicContact CD2-CB 4.19Å; L98-V129 HydrophobicContact CD2-CG2 4.24Å; L98-V129 HydrophobicContact CG-CG2 4.49Å; L126-V129 HydrophobicContact CD1-CG2 4.41Å; L126-V129 WeakPolarHBondContact O-CG2 3.2Å; L126-V129 PolarHBondContact O-N 3.03Å; L126-V129 VanDerWaalsContact O-N 3.15Å; E127-V129 PolarHBondContact O-N 3.39Å; E127-V129 VanDerWaalsContact O-N 3.15Å; V129-I131 PolarHBondContact O-N 3.08Å; V129-L132 HydrophobicContact CB-CD1 3.93Å; V129-L132 HydrophobicContact CB-CG 4.48Å; V129-L132 HydrophobicContact CG1-CD1 4.27Å; V129-L132 WeakPolarHBondContact O-CB 3.36Å; V129-L132 VanDerWaalsContact O-CG 3.3Å; V129-L132 WeakPolarHBondContact O-CG 3.43Å; V129-L132 PolarHBondContact O-N 3.31Å; V129-L190 HydrophobicContact CG1-CD1 4.3Å
130A97.9Very high95.3Very high0 Ų021.9 Ų21.90%011%0.105CC..THydrogen-bonded Turntrans-60.6-19-17600000114.1S36 L39 F40 L126 E127 P133S36-A130 WeakPolarHBondContact CA-O 3.42Å; S36-A130 WeakPolarHBondContact CB-O 3.44Å; S36-A130 PolarHBondContact OG-O 3.28Å; L39-A130 HydrophobicContact CB-CB 3.83Å; L39-A130 HydrophobicContact CD1-CB 4.41Å; F40-A130 HydrophobicContact CD1-CB 3.98Å; F40-A130 HydrophobicContact CE1-CB 3.73Å; F40-A130 HydrophobicContact CG-CB 4.5Å; F40-A130 HydrophobicContact CZ-CB 4.06Å; L126-A130 VanDerWaalsContact O-CB 3.31Å; L126-A130 WeakPolarHBondContact O-CB 3.4Å; L126-A130 PolarHBondContact O-N 2.86Å; E127-A130 PolarHBondContact O-N 3.3Å; A130-P133 WeakPolarHBondContact O-CD 3.15Å
131I95.5Very high94.8Very high0 Ų020.7 Ų20.70%011%0.106CC..THydrogen-bonded Turntrans-78.8-17.2176.1-163.164000114F40 V129 Q134 L135 L152 L155 Y191F40-I131 HydrophobicContact CE2-CD1 4.07Å; F40-I131 HydrophobicContact CZ-CB 4.26Å; F40-I131 HydrophobicContact CZ-CD1 4.14Å; V129-I131 PolarHBondContact O-N 3.08Å; I131-Q134 HydrophobicContact CD1-CB 3.9Å; I131-Q134 HydrophobicContact CD1-CG 4.16Å; I131-Q134 HydrophobicContact CG1-CB 4.46Å; I131-Q134 WeakPolarHBondContact O-CB 3.3Å; I131-Q134 PolarHBondContact O-N 3.36Å; I131-L135 HydrophobicContact CG1-CD1 4.48Å; I131-L135 HydrophobicContact CG1-CG 4.16Å; I131-L135 HydrophobicContact CG2-CD1 4.07Å; I131-L135 PolarHBondContact O-N 3.03Å; I131-L135 VanDerWaalsContact O-N 3.11Å; I131-L152 HydrophobicContact CD1-CD2 3.66Å; I131-L152 HydrophobicContact CG1-CD2 4.27Å; I131-L155 HydrophobicContact CD1-CD2 3.78Å; I131-Y191 HydrophobicContact CB-CE2 4.4Å; I131-Y191 WeakPolarHBondContact CB-OH 3.42Å; I131-Y191 HydrophobicContact CD1-CE1 4.41Å; I131-Y191 WeakPolarHBondContact CD1-OH 3.39Å; I131-Y191 HydrophobicContact CG1-CE1 3.79Å; I131-Y191 WeakPolarHBondContact CG1-OH 3.45Å; I131-Y191 HydrophobicContact CG2-CE2 3.96Å
132L95.8Very high93.8Very high40 Ų4021.9 Ų21.921%0.20912%0.118CC..Hα-helixtrans-55-41.7-174.6-70.9176.2000114.3F93 L98 V129 Q134 L135 F136 L190F93-L132 HydrophobicContact CE2-CB 4.22Å; F93-L132 HydrophobicContact CZ-CB 4.09Å; L98-L132 HydrophobicContact CD1-CB 4.22Å; L98-L132 HydrophobicContact CD2-CD1 3.66Å; V129-L132 HydrophobicContact CB-CD1 3.93Å; V129-L132 HydrophobicContact CB-CG 4.48Å; V129-L132 HydrophobicContact CG1-CD1 4.27Å; V129-L132 WeakPolarHBondContact O-CB 3.36Å; V129-L132 VanDerWaalsContact O-CG 3.3Å; V129-L132 WeakPolarHBondContact O-CG 3.43Å; V129-L132 PolarHBondContact O-N 3.31Å; L132-Q134 VanDerWaalsContact C-N 3.32Å; L132-Q134 PolarHBondContact O-N 3.17Å; L132-L135 PolarHBondContact O-N 2.87Å; L132-F136 VanDerWaalsContact O-CB 3.26Å; L132-F136 WeakPolarHBondContact O-CB 3.11Å; L132-F136 PolarHBondContact O-N 3.47Å; L132-L190 HydrophobicContact CD1-CD1 4.49Å; L132-L190 HydrophobicContact CD2-CD1 4.02Å; L132-L190 HydrophobicContact CD2-CD2 3.95Å; L132-L190 HydrophobicContact CD2-CG 4.48Å; L132-L190 HydrophobicContact CG-CD1 4.25Å
133P96.4Very high92.6Very high0 Ų024.8 Ų24.80%013%0.132CC..Hα-helixtrans-57-42.1174.6-24.833.1000113.5S33 R35 S36 L39 F93 V95 L98 A130 F136 M137S33-P133 WeakPolarHBondContact OG-CB 3.23Å; R35-P133 HydrophobicContact CB-CB 3.93Å; R35-P133 HydrophobicContact CB-CG 4.27Å; S36-P133 WeakPolarHBondContact OG-CB 3.4Å; S36-P133 WeakPolarHBondContact OG-CD 3.22Å; L39-P133 HydrophobicContact CD1-CG 4.1Å; F93-P133 HydrophobicContact CB-CB 3.82Å; F93-P133 HydrophobicContact CB-CG 4.18Å; F93-P133 HydrophobicContact CD1-CB 4.38Å; F93-P133 HydrophobicContact CD1-CG 3.79Å; F93-P133 HydrophobicContact CG-CB 4.17Å; F93-P133 HydrophobicContact CG-CG 4.07Å; V95-P133 HydrophobicContact CG1-CG 4.37Å; L98-P133 HydrophobicContact CD1-CG 4.06Å; A130-P133 WeakPolarHBondContact O-CD 3.15Å; P133-F136 PolarHBondContact O-N 3.42Å; P133-M137 WeakPolarHBondContact O-CB 3.31Å; P133-M137 PolarHBondContact O-N 2.95Å
134Q95Very high91.5Very high0 Ų025.1 Ų25.10%013%0.134CC..Hα-helixtrans-65.6-43.7176.7-179.664.667.200112.5G31 S36 I131 L132 M137 L138 L152G31-Q134 PolarHBondContact O-NE2 2.64Å; S36-Q134 PolarHBondContact OG-N 3.33Å; I131-Q134 HydrophobicContact CD1-CB 3.9Å; I131-Q134 HydrophobicContact CD1-CG 4.16Å; I131-Q134 HydrophobicContact CG1-CB 4.46Å; I131-Q134 WeakPolarHBondContact O-CB 3.3Å; I131-Q134 PolarHBondContact O-N 3.36Å; L132-Q134 VanDerWaalsContact C-N 3.32Å; L132-Q134 PolarHBondContact O-N 3.17Å; Q134-M137 PolarHBondContact O-N 2.51Å; Q134-L138 WeakPolarHBondContact O-CG 3.38Å; Q134-L138 PolarHBondContact O-N 2.9Å; Q134-L138 VanDerWaalsContact O-N 3.08Å; Q134-L152 HydrophobicContact CG-CD1 4.35Å; Q134-L152 HydrophobicContact CG-CD2 3.83Å
135L92.4Very high90.7Very high30 Ų3028.6 Ų28.616%0.15715%0.151CC..Hα-helixtrans-65.2-41.1177-65.2177.7000111.5I131 L132 L138 S139 F194I131-L135 HydrophobicContact CG1-CD1 4.48Å; I131-L135 HydrophobicContact CG1-CG 4.16Å; I131-L135 HydrophobicContact CG2-CD1 4.07Å; I131-L135 PolarHBondContact O-N 3.03Å; I131-L135 VanDerWaalsContact O-N 3.11Å; L132-L135 PolarHBondContact O-N 2.87Å; L135-L138 PolarHBondContact O-N 3.41Å; L135-S139 PolarHBondContact O-N 2.84Å; L135-F194 HydrophobicContact CD2-CB 4.32Å; L135-F194 HydrophobicContact CD2-CD2 4.35Å; L135-F194 HydrophobicContact CD2-CG 4.48Å
136F92.6Very high90Very high72 Ų7231.1 Ų31.132%0.31617%0.169SC..Hα-helixtrans-65.7-38.3177.1-178.6-98.9000112.8F93 L132 P133 L138 S139 K140F93-F136 HydrophobicContact CB-CD1 4Å; F93-F136 HydrophobicContact CB-CG 4.46Å; F93-F136 HydrophobicContact CD2-CB 3.7Å; F93-F136 HydrophobicContact CD2-CD1 4.02Å; F93-F136 HydrophobicContact CD2-CD2 4.13Å; F93-F136 AromaticContact CD2-CG 3.7Å; F93-F136 HydrophobicContact CD2-CG 3.7Å; F93-F136 HydrophobicContact CE2-CB 4.45Å; L132-F136 VanDerWaalsContact O-CB 3.26Å; L132-F136 WeakPolarHBondContact O-CB 3.11Å; L132-F136 PolarHBondContact O-N 3.47Å; P133-F136 PolarHBondContact O-N 3.42Å; F136-L138 VanDerWaalsContact C-N 3.34Å; F136-S139 PolarHBondContact O-N 2.98Å; F136-S139 PolarHBondContact O-OG 2.65Å; F136-K140 HydrophobicContact CD1-CD 4.22Å; F136-K140 HydrophobicContact CE1-CD 3.71Å; F136-K140 HydrophobicContact CE1-CG 4.41Å; F136-K140 HydrophobicContact CZ-CD 4.18Å; F136-K140 PolarHBondContact O-N 2.62Å
137M92.3Very high89.2Confident1 Ų135.1 Ų35.11%0.00519%0.189CC..Hα-helixtrans-66.1-40.6174.6-171.9-176.767.500111G31 I32 S33 H90 D91 P133 Q134 S139 K140 T141G31-M137 WeakPolarHBondContact O-CE 3.33Å; I32-M137 VanDerWaalsContact C-CE 3.41Å; S33-M137 VanDerWaalsContact N-CE 3.35Å; H90-M137 HydrophobicContact CB-CG 3.83Å; D91-M137 HydrophobicContact CB-SD 3.99Å; P133-M137 WeakPolarHBondContact O-CB 3.31Å; P133-M137 PolarHBondContact O-N 2.95Å; Q134-M137 PolarHBondContact O-N 2.51Å; M137-S139 VanDerWaalsContact C-N 3.34Å; M137-S139 PolarHBondContact O-N 3.15Å; M137-K140 PolarHBondContact O-N 3.15Å; M137-T141 HydrophobicContact CG-CG2 4.47Å; M137-T141 WeakPolarHBondContact O-CG2 3.26Å; M137-T141 PolarHBondContact O-N 2.59Å; M137-T141 PolarHBondContact O-OG1 2.76Å
138L89.9Confident88.7Confident2 Ų235.2 Ų35.21%0.0119%0.19CC..Hα-helixtrans-63.6-37.6176.2-74.1-177.6000113Q134 L135 F136 K140 T141 G142 A144 L152 F194 L210Q134-L138 WeakPolarHBondContact O-CG 3.38Å; Q134-L138 PolarHBondContact O-N 2.9Å; Q134-L138 VanDerWaalsContact O-N 3.08Å; L135-L138 PolarHBondContact O-N 3.41Å; F136-L138 VanDerWaalsContact C-N 3.34Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-T141 PolarHBondContact O-OG1 3.02Å; L138-G142 PolarHBondContact O-N 3.21Å; L138-G142 VanDerWaalsContact O-N 3.1Å; L138-A144 HydrophobicContact CD1-CB 4.27Å; L138-A144 HydrophobicContact CD2-CB 3.61Å; L138-L152 HydrophobicContact CD1-CD1 3.28Å; L138-F194 HydrophobicContact CD1-CE2 4.32Å; L138-L210 VanDerWaalsContact C-CD1 3.46Å; L138-L210 HydrophobicContact CB-CD1 3.56Å
139S87.3Confident88.3Confident43 Ų4334.9 Ų34.930%0.30119%0.187SC..Hα-helixtrans-66.6-35.8176.667.50000111.5L135 F136 M137L135-S139 PolarHBondContact O-N 2.84Å; F136-S139 PolarHBondContact O-N 2.98Å; F136-S139 PolarHBondContact O-OG 2.65Å; M137-S139 VanDerWaalsContact C-N 3.34Å; M137-S139 PolarHBondContact O-N 3.15Å
140K87.2Confident88Confident95 Ų9537.1 Ų37.141%0.41320%0.196SC..Hα-helixtrans-69.4-43.4175.2-76.4-174160.8-168.20114T92 F136 M137 L138 G142T92-K140 PolarHBondContact OG1-NZ 3.26Å; F136-K140 HydrophobicContact CD1-CD 4.22Å; F136-K140 HydrophobicContact CE1-CD 3.71Å; F136-K140 HydrophobicContact CE1-CG 4.41Å; F136-K140 HydrophobicContact CZ-CD 4.18Å; F136-K140 PolarHBondContact O-N 2.62Å; M137-K140 PolarHBondContact O-N 3.15Å; L138-K140 VanDerWaalsContact C-N 3.3Å; K140-G142 VanDerWaalsContact C-N 3.25Å; K140-G142 PolarHBondContact O-N 3.09Å
141T86.1Confident87.8Confident48 Ų4837.3 Ų37.329%0.29420%0.197SC..Hα-helixtrans-76.1-17.8-177.956.10000112.3H90 M137 L138 E143H90-T141 HydrophobicContact CB-CG2 3.9Å; M137-T141 HydrophobicContact CG-CG2 4.47Å; M137-T141 WeakPolarHBondContact O-CG2 3.26Å; M137-T141 PolarHBondContact O-N 2.59Å; M137-T141 PolarHBondContact O-OG1 2.76Å; L138-T141 PolarHBondContact O-OG1 3.02Å; T141-E143 PolarHBondContact O-N 3.24Å; T141-E143 PolarHBondContact OG1-O 2.89Å
142G77.8Confident87.6Confident24 Ų2437.3 Ų37.325%0.24720%0.197CC..SBendtrans69.6-13.2178.800000114.5L138 K140 Q209L138-G142 PolarHBondContact O-N 3.21Å; L138-G142 VanDerWaalsContact O-N 3.1Å; K140-G142 VanDerWaalsContact C-N 3.25Å; K140-G142 PolarHBondContact O-N 3.09Å; G142-Q209 VanDerWaalsContact O-CA 3.26Å; G142-Q209 WeakPolarHBondContact O-CA 3.24Å
143E72.8Confident87.5Confident86 Ų8638.4 Ų38.440%0.40220%0.2SC..  trans-132.7143.2173.9-63.5-161.8163.400112T141 K207 I208T141-E143 PolarHBondContact O-N 3.24Å; T141-E143 PolarHBondContact OG1-O 2.89Å; E143-K207 IonicContact OE1-NZ 3.83Å; E143-K207 WeakPolarHBondContact OE2-CD 3.48Å; E143-K207 IonicContact OE2-NZ 2.79Å; E143-K207 PolarHBondContact OE2-NZ 2.78Å; E143-I208 WeakPolarHBondContact CA-O 3.39Å
144A75.6Confident87.3Confident6 Ų638.9 Ų38.95%0.0520%0.204CC..BIsolated β-bridgetrans-110.6133.9167.600000110.2L138 S149 I208L138-A144 HydrophobicContact CD1-CB 4.27Å; L138-A144 HydrophobicContact CD2-CB 3.61Å; A144-S149 WeakPolarHBondContact CB-OG 3.44Å; A144-I208 HydrophobicContact CB-CB 4.18Å; A144-I208 HydrophobicContact CB-CD1 4.44Å
145E81.4Confident87.3Confident89 Ų8939 Ų3942%0.41621%0.205SC..  trans-57.8143166.4-65.4179.4-179.300110K22 I147 T148 S149K22-E145 WeakPolarHBondContact CE-OE2 3.45Å; K22-E145 IonicContact NZ-OE2 3.67Å; E145-I147 VanDerWaalsContact C-N 3.26Å; E145-I147 PolarHBondContact O-N 2.9Å; E145-T148 WeakPolarHBondContact O-CB 3.33Å; E145-T148 PolarHBondContact O-N 3.35Å; E145-T148 VanDerWaalsContact O-N 3.11Å; E145-S149 PolarHBondContact O-N 3.26Å; E145-S149 PolarHBondContact O-OG 2.97Å; E145-S149 VanDerWaalsContact O-OG 3.08Å
146T82.3Confident87.3Confident79 Ų7937.6 Ų37.649%0.48520%0.197SC..Hα-helixtrans-55.4-41.5-179.3-53.80000112.1S149 H150 V202T146-S149 WeakPolarHBondContact O-CB 3.27Å; T146-S149 PolarHBondContact O-N 3.25Å; T146-S149 VanDerWaalsContact O-N 3.17Å; T146-H150 PolarHBondContact O-CD2 3.32Å; T146-H150 PolarHBondContact O-N 3.25Å; T146-V202 HydrophobicContact CG2-CG1 4.36Å
147I82.8Confident87.3Confident85 Ų8535.3 Ų35.344%0.43619%0.19SC..Hα-helixtrans-66.6-41.7179.4-56.6177.1000111.1V18 K22 E145 S149 H150 Y151V18-I147 HydrophobicContact CG1-CG2 3.92Å; K22-I147 HydrophobicContact CB-CG2 3.64Å; K22-I147 HydrophobicContact CG-CB 4.12Å; K22-I147 HydrophobicContact CG-CG2 3.72Å; E145-I147 VanDerWaalsContact C-N 3.26Å; E145-I147 PolarHBondContact O-N 2.9Å; I147-S149 PolarHBondContact O-N 3.07Å; I147-H150 PolarHBondContact O-N 3.36Å; I147-Y151 PolarHBondContact O-N 3.25Å
148T86.5Confident87.4Confident2 Ų235.4 Ų35.41%0.01219%0.19CC..Hα-helixtrans-60-37.2173.7-57.80000111I32 E145 Y151 L152I32-T148 HydrophobicContact CD1-CG2 3.61Å; I32-T148 WeakPolarHBondContact CD1-OG1 3.36Å; E145-T148 WeakPolarHBondContact O-CB 3.33Å; E145-T148 PolarHBondContact O-N 3.35Å; E145-T148 VanDerWaalsContact O-N 3.11Å; T148-Y151 HydrophobicContact CG2-CD1 4.44Å; T148-Y151 WeakPolarHBondContact O-CB 3.33Å; T148-Y151 PolarHBondContact O-N 3.45Å; T148-L152 HydrophobicContact CG2-CD1 4.26Å; T148-L152 WeakPolarHBondContact O-CG 3.38Å; T148-L152 PolarHBondContact O-N 3.21Å
149S88.8Confident87.5Confident1 Ų136.2 Ų36.21%0.00719%0.193CC..Hα-helixtrans-66.2-40.9178-57.70000112.4A144 E145 T146 I147 L152 F153 I208A144-S149 WeakPolarHBondContact CB-OG 3.44Å; E145-S149 PolarHBondContact O-N 3.26Å; E145-S149 PolarHBondContact O-OG 2.97Å; E145-S149 VanDerWaalsContact O-OG 3.08Å; T146-S149 WeakPolarHBondContact O-CB 3.27Å; T146-S149 PolarHBondContact O-N 3.25Å; T146-S149 VanDerWaalsContact O-N 3.17Å; I147-S149 PolarHBondContact O-N 3.07Å; S149-L152 PolarHBondContact O-N 2.94Å; S149-F153 WeakPolarHBondContact O-CB 3.36Å; S149-F153 PolarHBondContact O-N 3.28Å; S149-I208 VanDerWaalsContact OG-CD1 3.32Å; S149-I208 WeakPolarHBondContact OG-CD1 3.37Å
150H91.5Very high87.8Confident76 Ų7635.9 Ų35.935%0.35219%0.193SC..Hα-helixtrans-64.7-41.2173.6-68.2-54.6000112.7T146 I147 F153 A154 Y198T146-H150 PolarHBondContact O-CD2 3.32Å; T146-H150 PolarHBondContact O-N 3.25Å; I147-H150 PolarHBondContact O-N 3.36Å; H150-F153 PolarHBondContact O-N 3.39Å; H150-A154 WeakPolarHBondContact O-CB 3.49Å; H150-A154 PolarHBondContact O-N 2.95Å; H150-Y198 PolarHBondContact CE1-OH 3.22Å; H150-Y198 VanDerWaalsContact CE1-OH 3.31Å; H150-Y198 AromaticContact ND1-CE2 3.65Å; H150-Y198 AromaticContact ND1-CZ 3.65Å; H150-Y198 PolarHBondContact ND1-OH 3.27Å
151Y93Very high88.1Confident4 Ų433.6 Ų33.62%0.01619%0.185CC..Hα-helixtrans-56.2-52.7173147.9-109.4000111.1A15 L19 Q37 I147 T148 F153 A154 L155A15-Y151 HydrophobicContact CB-CD2 4.14Å; A15-Y151 WeakPolarHBondContact O-CD2 3.35Å; L19-Y151 HydrophobicContact CB-CD2 3.89Å; L19-Y151 HydrophobicContact CB-CE2 4.23Å; L19-Y151 HydrophobicContact CB-CG 4.28Å; L19-Y151 HydrophobicContact CD1-CD1 4.36Å; L19-Y151 HydrophobicContact CD1-CE1 4.48Å; L19-Y151 HydrophobicContact CD1-CG 4.43Å; L19-Y151 HydrophobicContact CD2-CD2 4.46Å; L19-Y151 HydrophobicContact CD2-CE2 3.99Å; Q37-Y151 PolarHBondContact NE2-OH 2.88Å; I147-Y151 PolarHBondContact O-N 3.25Å; T148-Y151 HydrophobicContact CG2-CD1 4.44Å; T148-Y151 WeakPolarHBondContact O-CB 3.33Å; T148-Y151 PolarHBondContact O-N 3.45Å; Y151-F153 VanDerWaalsContact C-N 3.31Å; Y151-F153 PolarHBondContact O-N 3.02Å; Y151-A154 PolarHBondContact O-N 2.98Å; Y151-L155 HydrophobicContact CE2-CB 4.31Å; Y151-L155 HydrophobicContact CE2-CD2 3.82Å; Y151-L155 HydrophobicContact CE2-CG 4.48Å; Y151-L155 WeakPolarHBondContact O-CB 3.48Å; Y151-L155 PolarHBondContact O-N 3.17Å; Y151-L155 WeakPolarHBondContact OH-CD2 3.5Å
152L92.5Very high88.4Confident0 Ų033.3 Ų33.30%018%0.179CC..Hα-helixtrans-63.5-37.5-179.2-73.7176.3000112.7I131 Q134 L138 T148 S149 L155 G156 F194I131-L152 HydrophobicContact CD1-CD2 3.66Å; I131-L152 HydrophobicContact CG1-CD2 4.27Å; Q134-L152 HydrophobicContact CG-CD1 4.35Å; Q134-L152 HydrophobicContact CG-CD2 3.83Å; L138-L152 HydrophobicContact CD1-CD1 3.28Å; T148-L152 HydrophobicContact CG2-CD1 4.26Å; T148-L152 WeakPolarHBondContact O-CG 3.38Å; T148-L152 PolarHBondContact O-N 3.21Å; S149-L152 PolarHBondContact O-N 2.94Å; L152-L155 PolarHBondContact O-N 3.26Å; L152-G156 PolarHBondContact O-N 3.34Å; L152-F194 HydrophobicContact CB-CD1 4.09Å; L152-F194 HydrophobicContact CB-CE1 3.4Å; L152-F194 VanDerWaalsContact CB-CE1 3.4Å; L152-F194 HydrophobicContact CB-CE2 3.96Å; L152-F194 HydrophobicContact CB-CZ 3.35Å; L152-F194 HydrophobicContact CD1-CD2 4.12Å; L152-F194 HydrophobicContact CD1-CE2 3.52Å; L152-F194 HydrophobicContact CD1-CZ 3.78Å; L152-F194 HydrophobicContact CG-CE2 4.4Å; L152-F194 HydrophobicContact CG-CZ 4.2Å
153F92.5Very high89.1Confident64 Ų6434 Ų3428%0.28118%0.176SC..Hα-helixtrans-64.6-46.4175.6-178.4-97.2000111.6S149 H150 Y151 L155 G156 S157 F194 F195 Y198S149-F153 WeakPolarHBondContact O-CB 3.36Å; S149-F153 PolarHBondContact O-N 3.28Å; H150-F153 PolarHBondContact O-N 3.39Å; Y151-F153 VanDerWaalsContact C-N 3.31Å; Y151-F153 PolarHBondContact O-N 3.02Å; F153-L155 VanDerWaalsContact C-N 3.29Å; F153-L155 PolarHBondContact O-N 3.07Å; F153-G156 PolarHBondContact O-N 2.94Å; F153-S157 VanDerWaalsContact O-CB 3.24Å; F153-S157 WeakPolarHBondContact O-CB 3.34Å; F153-S157 PolarHBondContact O-N 3.31Å; F153-S157 PolarHBondContact O-OG 3.12Å; F153-F194 HydrophobicContact CB-CE1 4.3Å; F153-F195 AromaticContact CD2-CD1 3.66Å; F153-F195 HydrophobicContact CD2-CD1 3.66Å; F153-F195 AromaticContact CD2-CE1 3.89Å; F153-F195 HydrophobicContact CD2-CE1 3.89Å; F153-F195 AromaticContact CE2-CD1 3.95Å; F153-F195 HydrophobicContact CE2-CD1 3.95Å; F153-F195 HydrophobicContact CE2-CE1 4.18Å; F153-Y198 HydrophobicContact CB-CD1 4.21Å; F153-Y198 HydrophobicContact CB-CD2 3.85Å; F153-Y198 HydrophobicContact CB-CE1 4.08Å; F153-Y198 HydrophobicContact CB-CE2 3.71Å; F153-Y198 HydrophobicContact CB-CG 4.09Å; F153-Y198 HydrophobicContact CD1-CD1 4.46Å; F153-Y198 AromaticContact CD1-CE1 3.84Å; F153-Y198 HydrophobicContact CD1-CE1 3.84Å; F153-Y198 AromaticContact CD1-CZ 3.98Å; F153-Y198 AromaticContact CD2-CD1 3.2Å; F153-Y198 HydrophobicContact CD2-CD1 3.2Å; F153-Y198 HydrophobicContact CD2-CD2 4.3Å; F153-Y198 AromaticContact CD2-CE1 3.43Å; F153-Y198 HydrophobicContact CD2-CE1 3.43Å; F153-Y198 VanDerWaalsContact CD2-CE1 3.43Å; F153-Y198 HydrophobicContact CD2-CE2 4.48Å; F153-Y198 AromaticContact CD2-CG 3.67Å; F153-Y198 HydrophobicContact CD2-CG 3.67Å; F153-Y198 HydrophobicContact CE1-CE1 4.13Å; F153-Y198 AromaticContact CE2-CD1 3.6Å; F153-Y198 HydrophobicContact CE2-CD1 3.6Å; F153-Y198 AromaticContact CE2-CE1 3.76Å; F153-Y198 HydrophobicContact CE2-CE1 3.76Å; F153-Y198 HydrophobicContact CE2-CG 4.45Å; F153-Y198 AromaticContact CG-CD1 3.7Å; F153-Y198 HydrophobicContact CG-CD1 3.7Å; F153-Y198 HydrophobicContact CG-CD2 4.25Å; F153-Y198 AromaticContact CG-CE1 3.48Å; F153-Y198 HydrophobicContact CG-CE1 3.48Å; F153-Y198 VanDerWaalsContact CG-CE1 3.48Å; F153-Y198 HydrophobicContact CG-CE2 4.07Å; F153-Y198 HydrophobicContact CG-CG 4.07Å; F153-Y198 AromaticContact CG-CZ 3.67Å; F153-Y198 HydrophobicContact CZ-CD1 4.37Å; F153-Y198 HydrophobicContact CZ-CE1 4.1Å
154A93.3Very high90.1Very high9 Ų934.1 Ų34.17%0.07418%0.18CC..Hα-helixtrans-63.9-36.9176.400000111.9S11 A15 H150 Y151 S157 Y158S11-A154 PolarHBondContact OG-O 3.11Å; A15-A154 HydrophobicContact CB-CB 3.75Å; H150-A154 WeakPolarHBondContact O-CB 3.49Å; H150-A154 PolarHBondContact O-N 2.95Å; Y151-A154 PolarHBondContact O-N 2.98Å; A154-S157 PolarHBondContact O-N 2.82Å; A154-Y158 PolarHBondContact O-N 3.17Å; A154-Y158 VanDerWaalsContact O-N 3.12Å
155L93.9Very high90.9Very high4 Ų434 Ų342%0.02118%0.178CC..Hα-helixtrans-70.1-38.8176.7-16569.8000112.3A15 F40 I131 Y151 L152 F153 S157 Y158 Y191A15-L155 HydrophobicContact CB-CB 3.99Å; A15-L155 HydrophobicContact CB-CD1 4.11Å; F40-L155 HydrophobicContact CE2-CD2 4.02Å; F40-L155 HydrophobicContact CZ-CD2 3.85Å; I131-L155 HydrophobicContact CD1-CD2 3.78Å; Y151-L155 HydrophobicContact CE2-CB 4.31Å; Y151-L155 HydrophobicContact CE2-CD2 3.82Å; Y151-L155 HydrophobicContact CE2-CG 4.48Å; Y151-L155 WeakPolarHBondContact O-CB 3.48Å; Y151-L155 PolarHBondContact O-N 3.17Å; Y151-L155 WeakPolarHBondContact OH-CD2 3.5Å; L152-L155 PolarHBondContact O-N 3.26Å; F153-L155 VanDerWaalsContact C-N 3.29Å; F153-L155 PolarHBondContact O-N 3.07Å; L155-S157 VanDerWaalsContact C-N 3.34Å; L155-Y158 HydrophobicContact CD1-CD1 3.92Å; L155-Y158 HydrophobicContact CD1-CE1 3.51Å; L155-Y158 HydrophobicContact CG-CD1 4.35Å; L155-Y158 HydrophobicContact CG-CE1 3.89Å; L155-Y158 WeakPolarHBondContact O-CD1 3.48Å; L155-Y158 WeakPolarHBondContact O-CE1 3.36Å; L155-Y191 WeakPolarHBondContact CD2-OH 3.46Å; L155-Y191 WeakPolarHBondContact CG-OH 3.5Å
156G93.3Very high91.5Very high0 Ų031.3 Ų31.30%016%0.164CC..Hα-helixtrans-66.4-42.4170.100000111L152 F153 Y158 R159 A160 F195L152-G156 PolarHBondContact O-N 3.34Å; F153-G156 PolarHBondContact O-N 2.94Å; G156-Y158 VanDerWaalsContact C-N 3.33Å; G156-Y158 PolarHBondContact O-N 3.16Å; G156-R159 PolarHBondContact O-N 3.4Å; G156-R159 VanDerWaalsContact O-N 3.08Å; G156-A160 PolarHBondContact O-N 3.13Å; G156-F195 VanDerWaalsContact CA-CZ 3.42Å
157S93Very high92Very high24 Ų2431.1 Ų31.117%0.16816%0.162CC..Hα-helixtrans-64.9-35.4-170.6-65.20000112.5F153 A154 L155 R159 A160 L161F153-S157 VanDerWaalsContact O-CB 3.24Å; F153-S157 WeakPolarHBondContact O-CB 3.34Å; F153-S157 PolarHBondContact O-N 3.31Å; F153-S157 PolarHBondContact O-OG 3.12Å; A154-S157 PolarHBondContact O-N 2.82Å; L155-S157 VanDerWaalsContact C-N 3.34Å; S157-R159 PolarHBondContact O-N 3.39Å; S157-A160 PolarHBondContact O-N 3.01Å; S157-L161 WeakPolarHBondContact O-CG 3.34Å; S157-L161 PolarHBondContact O-N 2.65Å
158Y94.7Very high92.5Very high2 Ų231 Ų311%0.00816%0.157CC..Hα-helixtrans-58-38.8175.789.4-100.1000110.9G8 S11 H12 E127 A154 L155 G156 L161 Y162 Q187G8-Y158 VanDerWaalsContact O-CB 3.31Å; G8-Y158 WeakPolarHBondContact O-CB 3.4Å; S11-Y158 PolarHBondContact OG-N 3.11Å; H12-Y158 HydrophobicContact CB-CD1 4.02Å; H12-Y158 HydrophobicContact CB-CD2 4.25Å; H12-Y158 HydrophobicContact CB-CG 3.8Å; H12-Y158 AromaticContact CE1-CE1 3.94Å; H12-Y158 AromaticContact CE1-CZ 3.73Å; H12-Y158 AromaticContact CG-CD1 3.86Å; H12-Y158 AromaticContact CG-CG 3.98Å; H12-Y158 AromaticContact ND1-CD2 3.93Å; H12-Y158 AromaticContact ND1-CE2 3.79Å; H12-Y158 AromaticContact ND1-CZ 3.91Å; H12-Y158 AromaticContact NE2-CE1 3.98Å; E127-Y158 PolarHBondContact OE1-OH 3.04Å; A154-Y158 PolarHBondContact O-N 3.17Å; A154-Y158 VanDerWaalsContact O-N 3.12Å; L155-Y158 HydrophobicContact CD1-CD1 3.92Å; L155-Y158 HydrophobicContact CD1-CE1 3.51Å; L155-Y158 HydrophobicContact CG-CD1 4.35Å; L155-Y158 HydrophobicContact CG-CE1 3.89Å; L155-Y158 WeakPolarHBondContact O-CD1 3.48Å; L155-Y158 WeakPolarHBondContact O-CE1 3.36Å; G156-Y158 VanDerWaalsContact C-N 3.33Å; G156-Y158 PolarHBondContact O-N 3.16Å; Y158-L161 WeakPolarHBondContact O-CB 3.43Å; Y158-L161 PolarHBondContact O-N 3.48Å; Y158-Y162 AromaticContact CD2-CD2 3.93Å; Y158-Y162 HydrophobicContact CD2-CD2 3.93Å; Y158-Y162 HydrophobicContact CD2-CE2 4.29Å; Y158-Y162 WeakPolarHBondContact O-CD2 3.49Å; Y158-Y162 PolarHBondContact O-N 3.24Å; Y158-Q187 PolarHBondContact OH-NE2 2.94Å
159R92Very high92.8Very high19 Ų1933.2 Ų33.27%0.07217%0.165CC..Hα-helixtrans-70.9-40.7-177.7-16963.269.7-172.313.6112.1E127 G156 S157 L161 Y162 I163 Q187 T188E127-R159 IonicContact OE1-NH2 3.51Å; E127-R159 PolarHBondContact OE1-NH2 2.97Å; E127-R159 VanDerWaalsContact OE1-NH2 3.12Å; E127-R159 IonicContact OE2-CZ 3.64Å; E127-R159 IonicContact OE2-NH1 3.16Å; E127-R159 IonicContact OE2-NH2 3.88Å; E127-R159 PolarHBondContact OE2-NH2 3.38Å; G156-R159 PolarHBondContact O-N 3.4Å; G156-R159 VanDerWaalsContact O-N 3.08Å; S157-R159 PolarHBondContact O-N 3.39Å; R159-L161 VanDerWaalsContact C-N 3.28Å; R159-L161 PolarHBondContact O-N 2.99Å; R159-Y162 WeakPolarHBondContact O-CA 3.46Å; R159-Y162 WeakPolarHBondContact O-CB 3.25Å; R159-Y162 PolarHBondContact O-N 3.04Å; R159-Y162 VanDerWaalsContact O-N 3.07Å; R159-I163 PolarHBondContact O-N 3.17Å; R159-Q187 HydrophobicContact CG-CB 4.17Å; R159-Q187 HydrophobicContact CG-CG 4.25Å; R159-Q187 VanDerWaalsContact NE-CD 3.31Å; R159-T188 WeakPolarHBondContact CG-OG1 3.27Å
160A92Very high93.1Very high36 Ų3639.2 Ų39.230%0.29819%0.189SC..Hα-helixtrans-58-42.4172.800000111.4G156 S157 Y162 I163 L164G156-A160 PolarHBondContact O-N 3.13Å; S157-A160 PolarHBondContact O-N 3.01Å; A160-Y162 VanDerWaalsContact C-N 3.32Å; A160-Y162 PolarHBondContact O-N 3.13Å; A160-I163 WeakPolarHBondContact O-CB 3.2Å; A160-I163 PolarHBondContact O-N 3.23Å; A160-L164 PolarHBondContact O-N 3.28Å
161L93.8Very high93.2Very high47 Ų4743.4 Ų43.425%0.24620%0.203CC..Hα-helixtrans-64.3-35.8174.5-67.6168.7000112.5A7 S157 Y158 R159 L164 N165A7-L161 HydrophobicContact CB-CD1 4.09Å; S157-L161 WeakPolarHBondContact O-CG 3.34Å; S157-L161 PolarHBondContact O-N 2.65Å; Y158-L161 WeakPolarHBondContact O-CB 3.43Å; Y158-L161 PolarHBondContact O-N 3.48Å; R159-L161 VanDerWaalsContact C-N 3.28Å; R159-L161 PolarHBondContact O-N 2.99Å; L161-L164 PolarHBondContact O-N 3.49Å; L161-N165 PolarHBondContact O-N 2.65Å
162Y92.7Very high93.2Very high42 Ų4251.2 Ų51.217%0.16523%0.233CC..Hα-helixtrans-66.6-34.7174.9-99.8-92000113D9 Y158 R159 A160 N165 W166D9-Y162 PolarHBondContact OD1-OH 3.3Å; Y158-Y162 AromaticContact CD2-CD2 3.93Å; Y158-Y162 HydrophobicContact CD2-CD2 3.93Å; Y158-Y162 HydrophobicContact CD2-CE2 4.29Å; Y158-Y162 WeakPolarHBondContact O-CD2 3.49Å; Y158-Y162 PolarHBondContact O-N 3.24Å; R159-Y162 WeakPolarHBondContact O-CA 3.46Å; R159-Y162 WeakPolarHBondContact O-CB 3.25Å; R159-Y162 PolarHBondContact O-N 3.04Å; R159-Y162 VanDerWaalsContact O-N 3.07Å; A160-Y162 VanDerWaalsContact C-N 3.32Å; A160-Y162 PolarHBondContact O-N 3.13Å; Y162-N165 WeakPolarHBondContact O-CB 3.45Å; Y162-N165 PolarHBondContact O-N 2.94Å; Y162-W166 HydrophobicContact CD1-CZ2 4.13Å; Y162-W166 VanDerWaalsContact O-CG 3.23Å; Y162-W166 PolarHBondContact O-N 2.85Å
163I92.6Very high93.2Very high39 Ų3955.2 Ų55.220%0.225%0.252CS..Hα-helixtrans-61.5-47171.4-68.1172.1000110.4R159 A160 N165 W166 V167 T188R159-I163 PolarHBondContact O-N 3.17Å; A160-I163 WeakPolarHBondContact O-CB 3.2Å; A160-I163 PolarHBondContact O-N 3.23Å; I163-N165 VanDerWaalsContact C-N 3.27Å; I163-N165 PolarHBondContact O-N 2.83Å; I163-W166 HydrophobicContact CB-CE3 4.25Å; I163-W166 HydrophobicContact CB-CZ3 4.48Å; I163-W166 HydrophobicContact CG1-CE3 3.82Å; I163-W166 HydrophobicContact CG1-CZ3 3.6Å; I163-W166 PolarHBondContact O-N 3.35Å; I163-V167 WeakPolarHBondContact O-CG2 3.39Å; I163-V167 PolarHBondContact O-N 2.59Å; I163-T188 HydrophobicContact CD1-CG2 4.21Å; I163-T188 WeakPolarHBondContact CD1-OG1 3.34Å
164L93.3Very high93.1Very high89 Ų8959.3 Ų59.347%0.46628%0.277SS..Hα-helixtrans-59.9-39.7175.4-60.8-179.4000111.8F4 A160 L161 V167 Y168F4-L164 HydrophobicContact CD1-CB 3.89Å; F4-L164 HydrophobicContact CD1-CD1 4.32Å; F4-L164 HydrophobicContact CE1-CB 4.24Å; F4-L164 HydrophobicContact CE1-CD1 4.28Å; F4-L164 HydrophobicContact CG-CB 4.25Å; A160-L164 PolarHBondContact O-N 3.28Å; L161-L164 PolarHBondContact O-N 3.49Å; L164-V167 PolarHBondContact O-N 3.13Å; L164-Y168 WeakPolarHBondContact O-CB 3.41Å; L164-Y168 PolarHBondContact O-N 3.33Å
165N93.3Very high93.1Very high3 Ų363 Ų632%0.01629%0.291CS..Hα-helixtrans-59.4-44.3171.8162.276000112N2 F4 L161 Y162 I163 Y168 R169N2-N165 VanDerWaalsContact CG-OD1 3.3Å; N2-N165 PolarHBondContact ND2-OD1 3.03Å; N2-N165 PolarHBondContact OD1-OD1 2.89Å; F4-N165 HydrophobicContact CB-CB 3.64Å; L161-N165 PolarHBondContact O-N 2.65Å; Y162-N165 WeakPolarHBondContact O-CB 3.45Å; Y162-N165 PolarHBondContact O-N 2.94Å; I163-N165 VanDerWaalsContact C-N 3.27Å; I163-N165 PolarHBondContact O-N 2.83Å; N165-Y168 WeakPolarHBondContact O-CB 3.45Å; N165-Y168 PolarHBondContact O-N 3.13Å; N165-R169 VanDerWaalsContact O-CG 3.28Å; N165-R169 WeakPolarHBondContact O-CG 3.32Å; N165-R169 PolarHBondContact O-N 3.4Å
166W92.9Very high93Very high32 Ų3268.6 Ų68.612%0.12132%0.316CS..Hα-helixtrans-65.9-40179-60.1-39.8000112.4Y162 I163 Y168 R169 Y170 A180 V181Y162-W166 HydrophobicContact CD1-CZ2 4.13Å; Y162-W166 VanDerWaalsContact O-CG 3.23Å; Y162-W166 PolarHBondContact O-N 2.85Å; I163-W166 HydrophobicContact CB-CE3 4.25Å; I163-W166 HydrophobicContact CB-CZ3 4.48Å; I163-W166 HydrophobicContact CG1-CE3 3.82Å; I163-W166 HydrophobicContact CG1-CZ3 3.6Å; I163-W166 PolarHBondContact O-N 3.35Å; W166-Y168 VanDerWaalsContact C-N 3.33Å; W166-Y168 PolarHBondContact O-N 3.11Å; W166-R169 PolarHBondContact O-N 2.93Å; W166-Y170 WeakPolarHBondContact O-CB 3.22Å; W166-Y170 PolarHBondContact O-N 3.36Å; W166-A180 WeakPolarHBondContact CH2-O 3.46Å; W166-A180 HydrophobicContact CZ2-CB 4.06Å; W166-A180 WeakPolarHBondContact CZ3-O 3.42Å; W166-V181 HydrophobicContact CB-CG2 4.01Å; W166-V181 HydrophobicContact CD2-CG2 4.12Å; W166-V181 HydrophobicContact CE3-CB 4.44Å; W166-V181 HydrophobicContact CE3-CG2 4.01Å; W166-V181 HydrophobicContact CG-CG2 4.13Å
167V93.7Very high93Very high75 Ų7569.3 Ų69.346%0.45532%0.32SS..Hα-helixtrans-59.2-46.1172.5175.20000110.4I163 L164 R169 Y170 Y171I163-V167 WeakPolarHBondContact O-CG2 3.39Å; I163-V167 PolarHBondContact O-N 2.59Å; L164-V167 PolarHBondContact O-N 3.13Å; V167-R169 PolarHBondContact O-N 2.97Å; V167-Y170 WeakPolarHBondContact O-CB 3.31Å; V167-Y170 PolarHBondContact O-N 2.83Å; V167-Y171 HydrophobicContact CG1-CD2 3.96Å; V167-Y171 HydrophobicContact CG1-CE2 3.83Å; V167-Y171 VanDerWaalsContact O-CD2 3.24Å; V167-Y171 WeakPolarHBondContact O-CD2 3.36Å; V167-Y171 PolarHBondContact O-N 3.49Å
168Y93.7Very high93.1Very high82 Ų8271.2 Ų71.232%0.32233%0.331SS..Hα-helixtrans-58.9-47.7175.5179.7-84.2000112N2 F4 L164 N165 W166 Y170 Y171 Y172N2-Y168 HydrophobicContact CB-CD1 4.02Å; N2-Y168 HydrophobicContact CB-CE1 3.81Å; N2-Y168 WeakPolarHBondContact ND2-CD1 3.37Å; F4-Y168 HydrophobicContact CD2-CD2 4.25Å; F4-Y168 HydrophobicContact CD2-CG 4.2Å; F4-Y168 AromaticContact CE2-CD2 3.93Å; F4-Y168 HydrophobicContact CE2-CD2 3.93Å; F4-Y168 HydrophobicContact CE2-CG 4.3Å; L164-Y168 WeakPolarHBondContact O-CB 3.41Å; L164-Y168 PolarHBondContact O-N 3.33Å; N165-Y168 WeakPolarHBondContact O-CB 3.45Å; N165-Y168 PolarHBondContact O-N 3.13Å; W166-Y168 VanDerWaalsContact C-N 3.33Å; W166-Y168 PolarHBondContact O-N 3.11Å; Y168-Y170 VanDerWaalsContact C-N 3.29Å; Y168-Y170 PolarHBondContact O-N 3.19Å; Y168-Y171 PolarHBondContact O-N 3.08Å; Y168-Y172 HydrophobicContact CD1-CD2 4.25Å; Y168-Y172 AromaticContact CD2-CD2 3.44Å; Y168-Y172 HydrophobicContact CD2-CD2 3.44Å; Y168-Y172 VanDerWaalsContact CD2-CD2 3.44Å; Y168-Y172 AromaticContact CD2-CE2 3.7Å; Y168-Y172 HydrophobicContact CD2-CE2 3.7Å; Y168-Y172 HydrophobicContact CD2-CG 4.41Å; Y168-Y172 HydrophobicContact CE1-CD2 4.22Å; Y168-Y172 HydrophobicContact CE1-CG 4.38Å; Y168-Y172 AromaticContact CE2-CD2 3.42Å; Y168-Y172 HydrophobicContact CE2-CD2 3.42Å; Y168-Y172 VanDerWaalsContact CE2-CD2 3.42Å; Y168-Y172 AromaticContact CE2-CE2 3.72Å; Y168-Y172 HydrophobicContact CE2-CE2 3.72Å; Y168-Y172 HydrophobicContact CE2-CG 4.03Å; Y168-Y172 AromaticContact CG-CD2 3.88Å; Y168-Y172 HydrophobicContact CG-CD2 3.88Å; Y168-Y172 HydrophobicContact CG-CE2 4.5Å; Y168-Y172 AromaticContact CZ-CD2 3.82Å; Y168-Y172 AromaticContact CZ-CG 4Å; Y168-Y172 WeakPolarHBondContact O-CB 3.5Å; Y168-Y172 WeakPolarHBondContact O-CD2 3.28Å; Y168-Y172 PolarHBondContact O-N 3.25Å
169R93.1Very high93.1Very high50 Ų5071.6 Ų71.619%0.18933%0.333CS..Hα-helixtrans-65.8-31.5-179.5-67.4-175.572.7-150-6.1112.8N165 W166 V167 E173 N174 F175N165-R169 VanDerWaalsContact O-CG 3.28Å; N165-R169 WeakPolarHBondContact O-CG 3.32Å; N165-R169 PolarHBondContact O-N 3.4Å; W166-R169 PolarHBondContact O-N 2.93Å; V167-R169 PolarHBondContact O-N 2.97Å; R169-E173 HydrophobicContact CB-CB 4.37Å; R169-E173 HydrophobicContact CG-CG 4.49Å; R169-E173 WeakPolarHBondContact CG-OE2 3.32Å; R169-E173 IonicContact CZ-OE2 3.68Å; R169-E173 IonicContact NE-OE2 2.83Å; R169-E173 PolarHBondContact NE-OE2 3.41Å; R169-E173 IonicContact NH2-OE2 3.66Å; R169-E173 CarbonylContact O-C 3.36Å; R169-E173 VanDerWaalsContact O-CA 3.32Å; R169-E173 WeakPolarHBondContact O-CA 3.32Å; R169-E173 WeakPolarHBondContact O-CB 3.35Å; R169-E173 PolarHBondContact O-N 2.92Å; R169-N174 PolarHBondContact O-N 3.44Å; R169-N174 VanDerWaalsContact O-N 3.12Å; R169-F175 CarbonylContact C-O 3.55Å; R169-F175 HydrophobicContact CB-CB 4.44Å; R169-F175 VanDerWaalsContact NH1-CD1 3.26Å; R169-F175 PolarHBondContact O-N 2.87Å; R169-F175 VanDerWaalsContact O-N 3.13Å
170Y93.9Very high93.3Very high126 Ų12671.2 Ų71.249%0.49433%0.334SS..Hα-helixtrans-61.5-49.7174.2-178.1-102.6000111.5W166 V167 Y168 F175 F176W166-Y170 WeakPolarHBondContact O-CB 3.22Å; W166-Y170 PolarHBondContact O-N 3.36Å; V167-Y170 WeakPolarHBondContact O-CB 3.31Å; V167-Y170 PolarHBondContact O-N 2.83Å; Y168-Y170 VanDerWaalsContact C-N 3.29Å; Y168-Y170 PolarHBondContact O-N 3.19Å; Y170-F175 WeakPolarHBondContact CA-O 3.31Å; Y170-F175 PolarHBondContact N-O 3.33Å; Y170-F176 HydrophobicContact CD2-CB 3.99Å; Y170-F176 AromaticContact CD2-CD2 3.99Å; Y170-F176 HydrophobicContact CD2-CD2 3.99Å; Y170-F176 HydrophobicContact CD2-CG 4.21Å; Y170-F176 HydrophobicContact CE2-CB 4.36Å; Y170-F176 HydrophobicContact CE2-CD2 4.45Å; Y170-F176 HydrophobicContact CE2-CG 4.45Å
171Y93.8Very high93.4Very high164 Ų16471 Ų7164%0.64333%0.329SS*.Hα-helixtrans-79.2-36.5-176.5-72.2-69000114.5V167 Y168V167-Y171 HydrophobicContact CG1-CD2 3.96Å; V167-Y171 HydrophobicContact CG1-CE2 3.83Å; V167-Y171 VanDerWaalsContact O-CD2 3.24Å; V167-Y171 WeakPolarHBondContact O-CD2 3.36Å; V167-Y171 PolarHBondContact O-N 3.49Å; Y168-Y171 PolarHBondContact O-N 3.08Å
172Y93.3Very high93.5Very high168 Ų16873.1 Ų73.166%0.65934%0.344SS*.Hα-helixtrans-104.8-23.7-171.6-66-78.1000114.3Y168Y168-Y172 HydrophobicContact CD1-CD2 4.25Å; Y168-Y172 AromaticContact CD2-CD2 3.44Å; Y168-Y172 HydrophobicContact CD2-CD2 3.44Å; Y168-Y172 VanDerWaalsContact CD2-CD2 3.44Å; Y168-Y172 AromaticContact CD2-CE2 3.7Å; Y168-Y172 HydrophobicContact CD2-CE2 3.7Å; Y168-Y172 HydrophobicContact CD2-CG 4.41Å; Y168-Y172 HydrophobicContact CE1-CD2 4.22Å; Y168-Y172 HydrophobicContact CE1-CG 4.38Å; Y168-Y172 AromaticContact CE2-CD2 3.42Å; Y168-Y172 HydrophobicContact CE2-CD2 3.42Å; Y168-Y172 VanDerWaalsContact CE2-CD2 3.42Å; Y168-Y172 AromaticContact CE2-CE2 3.72Å; Y168-Y172 HydrophobicContact CE2-CE2 3.72Å; Y168-Y172 HydrophobicContact CE2-CG 4.03Å; Y168-Y172 AromaticContact CG-CD2 3.88Å; Y168-Y172 HydrophobicContact CG-CD2 3.88Å; Y168-Y172 HydrophobicContact CG-CE2 4.5Å; Y168-Y172 AromaticContact CZ-CD2 3.82Å; Y168-Y172 AromaticContact CZ-CG 4Å; Y168-Y172 WeakPolarHBondContact O-CB 3.5Å; Y168-Y172 WeakPolarHBondContact O-CD2 3.28Å; Y168-Y172 PolarHBondContact O-N 3.25Å
173E91.9Very high93.7Very high85 Ų8571.3 Ų71.340%0.39734%0.337SS..Hα-helixtrans-113.8-1-178.3-59.4176.8-161.900112.5R169 F175R169-E173 HydrophobicContact CB-CB 4.37Å; R169-E173 HydrophobicContact CG-CG 4.49Å; R169-E173 WeakPolarHBondContact CG-OE2 3.32Å; R169-E173 IonicContact CZ-OE2 3.68Å; R169-E173 IonicContact NE-OE2 2.83Å; R169-E173 PolarHBondContact NE-OE2 3.41Å; R169-E173 IonicContact NH2-OE2 3.66Å; R169-E173 CarbonylContact O-C 3.36Å; R169-E173 VanDerWaalsContact O-CA 3.32Å; R169-E173 WeakPolarHBondContact O-CA 3.32Å; R169-E173 WeakPolarHBondContact O-CB 3.35Å; R169-E173 PolarHBondContact O-N 2.92Å; E173-F175 HydrophobicContact CB-CB 4.32Å; E173-F175 PolarHBondContact O-N 3.46Å; E173-F175 VanDerWaalsContact O-N 3.13Å
174N91.7Very high93.8Very high150 Ų15069.5 Ų69.580%0.80233%0.329SS*.  trans49.133.2-172.3-62.7-62.9000113R169R169-N174 PolarHBondContact O-N 3.44Å; R169-N174 VanDerWaalsContact O-N 3.12Å
175F91.7Very high93.8Very high85 Ų8567.6 Ų67.637%0.37332%0.322SS..  trans-110.3125.3-177.7-179.2-85.8000110.4R169 Y170 E173 D177R169-F175 CarbonylContact C-O 3.55Å; R169-F175 HydrophobicContact CB-CB 4.44Å; R169-F175 VanDerWaalsContact NH1-CD1 3.26Å; R169-F175 PolarHBondContact O-N 2.87Å; R169-F175 VanDerWaalsContact O-N 3.13Å; Y170-F175 WeakPolarHBondContact CA-O 3.31Å; Y170-F175 PolarHBondContact N-O 3.33Å; E173-F175 HydrophobicContact CB-CB 4.32Å; E173-F175 PolarHBondContact O-N 3.46Å; E173-F175 VanDerWaalsContact O-N 3.13Å; F175-D177 HydrophobicContact CE1-CB 3.9Å; F175-D177 HydrophobicContact CZ-CB 4.21Å
176F92.5Very high93.9Very high122 Ų12270.5 Ų70.554%0.53534%0.34SS..  trans-134.5126.3176.9-175.1-116.8000110.5Y170 P178 V181Y170-F176 HydrophobicContact CD2-CB 3.99Å; Y170-F176 AromaticContact CD2-CD2 3.99Å; Y170-F176 HydrophobicContact CD2-CD2 3.99Å; Y170-F176 HydrophobicContact CD2-CG 4.21Å; Y170-F176 HydrophobicContact CE2-CB 4.36Å; Y170-F176 HydrophobicContact CE2-CD2 4.45Å; Y170-F176 HydrophobicContact CE2-CG 4.45Å; F176-P178 HydrophobicContact CE1-CB 3.84Å; F176-P178 HydrophobicContact CE1-CG 4.41Å; F176-P178 HydrophobicContact CZ-CB 4.23Å; F176-V181 HydrophobicContact CD2-CG2 4.36Å; F176-V181 HydrophobicContact CE2-CB 4.3Å; F176-V181 HydrophobicContact CE2-CG1 4.38Å; F176-V181 HydrophobicContact CE2-CG2 3.9Å
177D94.1Very high94Very high16 Ų1669 Ų699%0.08633%0.334CS..  trans-120.6103.2173178.11.1000109.1H111 F175 I179 A180 V181H111-D177 IonicContact CE1-OD1 3.16Å; H111-D177 PolarHBondContact CE1-OD1 2.93Å; H111-D177 IonicContact CE1-OD2 3.84Å; H111-D177 IonicContact NE2-OD1 2.88Å; H111-D177 PolarHBondContact NE2-OD1 3.02Å; H111-D177 IonicContact NE2-OD2 3.97Å; F175-D177 HydrophobicContact CE1-CB 3.9Å; F175-D177 HydrophobicContact CZ-CB 4.21Å; D177-I179 VanDerWaalsContact C-N 3.28Å; D177-I179 PolarHBondContact O-N 2.94Å; D177-I179 PolarHBondContact OD1-N 3.18Å; D177-I179 VanDerWaalsContact OD1-N 3.1Å; D177-A180 HydrophobicContact CB-CB 4.12Å; D177-A180 PolarHBondContact O-N 2.83Å; D177-A180 PolarHBondContact OD1-N 2.76Å; D177-A180 VanDerWaalsContact OD2-CB 3.31Å; D177-A180 WeakPolarHBondContact OD2-CB 3.35Å; D177-V181 WeakPolarHBondContact O-CB 3.28Å; D177-V181 VanDerWaalsContact O-CG2 3.26Å; D177-V181 WeakPolarHBondContact O-CG2 3.32Å; D177-V181 PolarHBondContact O-N 2.89Å; D177-V181 VanDerWaalsContact O-N 3.08Å
178P94.6Very high94Very high63 Ų6366.8 Ų66.841%0.40932%0.321SS..Hα-helixtrans-64-33.2-175.924.8-32.9000112.5F176 V182F176-P178 HydrophobicContact CE1-CB 3.84Å; F176-P178 HydrophobicContact CE1-CG 4.41Å; F176-P178 HydrophobicContact CZ-CB 4.23Å; P178-V182 WeakPolarHBondContact O-CB 3.31Å; P178-V182 VanDerWaalsContact O-CG2 3.26Å; P178-V182 WeakPolarHBondContact O-CG2 3.44Å; P178-V182 PolarHBondContact O-N 3.36Å
179I95.5Very high94Very high11 Ų1168.8 Ų68.86%0.05634%0.336CS..Hα-helixtrans-66.4-51.7-178.7-61.7-169.2000109.5I109 T121 I124 Y125 D177 V181 A183I109-I179 HydrophobicContact CG2-CD1 4.15Å; I109-I179 HydrophobicContact CG2-CG1 4.45Å; T121-I179 HydrophobicContact CG2-CD1 4.04Å; T121-I179 HydrophobicContact CG2-CG2 4.27Å; I124-I179 HydrophobicContact CG2-CG2 4.14Å; Y125-I179 HydrophobicContact CE1-CG2 4.01Å; Y125-I179 HydrophobicContact CE2-CG2 4.33Å; D177-I179 VanDerWaalsContact C-N 3.28Å; D177-I179 PolarHBondContact O-N 2.94Å; D177-I179 PolarHBondContact OD1-N 3.18Å; D177-I179 VanDerWaalsContact OD1-N 3.1Å; I179-V181 VanDerWaalsContact C-N 3.34Å; I179-V181 PolarHBondContact O-N 2.9Å; I179-A183 VanDerWaalsContact O-CB 3.27Å; I179-A183 WeakPolarHBondContact O-CB 3.47Å; I179-A183 PolarHBondContact O-N 3.41Å
180A95Very high94Very high10 Ų1069 Ų698%0.08334%0.341CS..Hα-helixtrans-60.6-43.1178.500000112.1W166 D177 G184W166-A180 WeakPolarHBondContact CH2-O 3.46Å; W166-A180 HydrophobicContact CZ2-CB 4.06Å; W166-A180 WeakPolarHBondContact CZ3-O 3.42Å; D177-A180 HydrophobicContact CB-CB 4.12Å; D177-A180 PolarHBondContact O-N 2.83Å; D177-A180 PolarHBondContact OD1-N 2.76Å; D177-A180 VanDerWaalsContact OD2-CB 3.31Å; D177-A180 WeakPolarHBondContact OD2-CB 3.35Å; A180-G184 PolarHBondContact O-N 3.05Å
181V94.8Very high93.9Very high32 Ų3263 Ų6319%0.19432%0.317CS..Hα-helixtrans-64.8-51.2-179171.10000111.5W166 F176 D177 I179 G184 C185W166-V181 HydrophobicContact CB-CG2 4.01Å; W166-V181 HydrophobicContact CD2-CG2 4.12Å; W166-V181 HydrophobicContact CE3-CB 4.44Å; W166-V181 HydrophobicContact CE3-CG2 4.01Å; W166-V181 HydrophobicContact CG-CG2 4.13Å; F176-V181 HydrophobicContact CD2-CG2 4.36Å; F176-V181 HydrophobicContact CE2-CB 4.3Å; F176-V181 HydrophobicContact CE2-CG1 4.38Å; F176-V181 HydrophobicContact CE2-CG2 3.9Å; D177-V181 WeakPolarHBondContact O-CB 3.28Å; D177-V181 VanDerWaalsContact O-CG2 3.26Å; D177-V181 WeakPolarHBondContact O-CG2 3.32Å; D177-V181 PolarHBondContact O-N 2.89Å; D177-V181 VanDerWaalsContact O-N 3.08Å; I179-V181 VanDerWaalsContact C-N 3.34Å; I179-V181 PolarHBondContact O-N 2.9Å; V181-G184 PolarHBondContact O-N 2.94Å; V181-C185 WeakPolarHBondContact O-CB 3.5Å; V181-C185 PolarHBondContact O-N 3.08Å; V181-C185 PolarHBondContact O-SG 2.92Å
182V95.6Very high93.8Very high91 Ų9157.7 Ų57.755%0.55231%0.307SS*.Hα-helixtrans-63.1-48.9-178.7172.40000110.8P178 G184 C185 V186P178-V182 WeakPolarHBondContact O-CB 3.31Å; P178-V182 VanDerWaalsContact O-CG2 3.26Å; P178-V182 WeakPolarHBondContact O-CG2 3.44Å; P178-V182 PolarHBondContact O-N 3.36Å; V182-G184 VanDerWaalsContact C-N 3.31Å; V182-G184 PolarHBondContact O-N 3.41Å; V182-C185 PolarHBondContact O-N 3.43Å; V182-V186 WeakPolarHBondContact O-CG2 3.34Å; V182-V186 PolarHBondContact O-N 3.27Å
183A96.3Very high93.5Very high4 Ų454.1 Ų54.13%0.03330%0.299CS..Hα-helixtrans-62.4-38.5179.300000112.1I124 Y125 S128 I179 V186 Q187I124-A183 HydrophobicContact CG2-CB 3.44Å; I124-A183 VanDerWaalsContact CG2-CB 3.44Å; Y125-A183 HydrophobicContact CD1-CB 4.39Å; S128-A183 VanDerWaalsContact CB-O 3.31Å; S128-A183 WeakPolarHBondContact CB-O 3.07Å; I179-A183 VanDerWaalsContact O-CB 3.27Å; I179-A183 WeakPolarHBondContact O-CB 3.47Å; I179-A183 PolarHBondContact O-N 3.41Å; A183-V186 PolarHBondContact O-N 2.97Å; A183-Q187 WeakPolarHBondContact O-CB 3.31Å; A183-Q187 PolarHBondContact O-N 3.28Å
184G94.7Very high93.3Very high2 Ų250.3 Ų50.32%0.02128%0.281CS..Hα-helixtrans-69.1-35176.500000114.1A180 V181 V182 T188A180-G184 PolarHBondContact O-N 3.05Å; V181-G184 PolarHBondContact O-N 2.94Å; V182-G184 VanDerWaalsContact C-N 3.31Å; V182-G184 PolarHBondContact O-N 3.41Å; G184-T188 WeakPolarHBondContact O-CB 3.31Å; G184-T188 PolarHBondContact O-N 3.39Å; G184-T188 PolarHBondContact O-OG1 2.98Å
185C94.7Very high93.2Very high49 Ų4944.9 Ų44.933%0.33125%0.251SS..Hα-helixtrans-63.2-48.2170.8-73.40000111.1V181 V182 Q187 T188 I189V181-C185 WeakPolarHBondContact O-CB 3.5Å; V181-C185 PolarHBondContact O-N 3.08Å; V181-C185 PolarHBondContact O-SG 2.92Å; V182-C185 PolarHBondContact O-N 3.43Å; C185-Q187 VanDerWaalsContact C-N 3.32Å; C185-Q187 PolarHBondContact O-N 3.24Å; C185-T188 PolarHBondContact O-N 3.35Å; C185-T188 VanDerWaalsContact O-N 3.17Å; C185-I189 VanDerWaalsContact O-CG1 3.32Å; C185-I189 WeakPolarHBondContact O-CG1 3.49Å; C185-I189 PolarHBondContact O-N 3.39Å
186V95.3Very high93.1Very high63 Ų6348.1 Ų48.138%0.38226%0.261SS..Hα-helixtrans-54.8-49.5175.51700000110.6V182 A183 T188 I189 L190V182-V186 WeakPolarHBondContact O-CG2 3.34Å; V182-V186 PolarHBondContact O-N 3.27Å; A183-V186 PolarHBondContact O-N 2.97Å; V186-T188 PolarHBondContact O-N 2.95Å; V186-I189 PolarHBondContact O-N 3.47Å; V186-L190 HydrophobicContact CG1-CD1 4.35Å; V186-L190 WeakPolarHBondContact O-CG 3.31Å; V186-L190 PolarHBondContact O-N 3.04Å
187Q94.9Very high92.7Very high1 Ų142.7 Ų42.71%0.00524%0.238CC..Hα-helixtrans-59-46.2178.2-172.4173.7-17.300112Y158 R159 A183 C185 I189 L190 Y191Y158-Q187 PolarHBondContact OH-NE2 2.94Å; R159-Q187 HydrophobicContact CG-CB 4.17Å; R159-Q187 HydrophobicContact CG-CG 4.25Å; R159-Q187 VanDerWaalsContact NE-CD 3.31Å; A183-Q187 WeakPolarHBondContact O-CB 3.31Å; A183-Q187 PolarHBondContact O-N 3.28Å; C185-Q187 VanDerWaalsContact C-N 3.32Å; C185-Q187 PolarHBondContact O-N 3.24Å; Q187-I189 VanDerWaalsContact C-N 3.31Å; Q187-I189 PolarHBondContact O-N 3.45Å; Q187-L190 WeakPolarHBondContact O-CB 3.42Å; Q187-L190 PolarHBondContact O-N 3.46Å; Q187-L190 VanDerWaalsContact O-N 3.16Å; Q187-Y191 HydrophobicContact CG-CD2 3.98Å; Q187-Y191 HydrophobicContact CG-CE2 3.7Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.46Å; Q187-Y191 PolarHBondContact O-N 2.9Å
188T93.2Very high92.3Very high29 Ų2942.7 Ų42.718%0.17824%0.237CC..Hα-helixtrans-63.7-38.2-178.8-56.70000111.6R159 I163 G184 C185 V186 L190 Y191 A192R159-T188 WeakPolarHBondContact CG-OG1 3.27Å; I163-T188 HydrophobicContact CD1-CG2 4.21Å; I163-T188 WeakPolarHBondContact CD1-OG1 3.34Å; G184-T188 WeakPolarHBondContact O-CB 3.31Å; G184-T188 PolarHBondContact O-N 3.39Å; G184-T188 PolarHBondContact O-OG1 2.98Å; C185-T188 PolarHBondContact O-N 3.35Å; C185-T188 VanDerWaalsContact O-N 3.17Å; V186-T188 PolarHBondContact O-N 2.95Å; T188-L190 VanDerWaalsContact C-N 3.35Å; T188-Y191 PolarHBondContact O-N 3.01Å; T188-A192 PolarHBondContact O-N 3.41Å; T188-A192 VanDerWaalsContact O-N 3.13Å
189I93.6Very high92Very high123 Ų12343.1 Ų43.163%0.63124%0.238SC*.Hα-helixtrans-61.7-43174-70163.8000110.7C185 V186 Q187 Y191 A192C185-I189 VanDerWaalsContact O-CG1 3.32Å; C185-I189 WeakPolarHBondContact O-CG1 3.49Å; C185-I189 PolarHBondContact O-N 3.39Å; V186-I189 PolarHBondContact O-N 3.47Å; Q187-I189 VanDerWaalsContact C-N 3.31Å; Q187-I189 PolarHBondContact O-N 3.45Å; I189-Y191 PolarHBondContact O-N 3.14Å; I189-A192 VanDerWaalsContact O-CB 3.25Å; I189-A192 WeakPolarHBondContact O-CB 3.38Å; I189-A192 PolarHBondContact O-N 2.94Å
190L93.3Very high91.5Very high56 Ų5644.4 Ų44.429%0.29325%0.247SC..Hα-helixtrans-61.7-28.8176.4-68.1176000112.8S128 V129 L132 V186 Q187 T188S128-L190 WeakPolarHBondContact O-CD1 3.28Å; V129-L190 HydrophobicContact CG1-CD1 4.3Å; L132-L190 HydrophobicContact CD1-CD1 4.49Å; L132-L190 HydrophobicContact CD2-CD1 4.02Å; L132-L190 HydrophobicContact CD2-CD2 3.95Å; L132-L190 HydrophobicContact CD2-CG 4.48Å; L132-L190 HydrophobicContact CG-CD1 4.25Å; V186-L190 HydrophobicContact CG1-CD1 4.35Å; V186-L190 WeakPolarHBondContact O-CG 3.31Å; V186-L190 PolarHBondContact O-N 3.04Å; Q187-L190 WeakPolarHBondContact O-CB 3.42Å; Q187-L190 PolarHBondContact O-N 3.46Å; Q187-L190 VanDerWaalsContact O-N 3.16Å; T188-L190 VanDerWaalsContact C-N 3.35Å
191Y91.1Very high90.9Very high0 Ų047.6 Ų47.60%026%0.256CS..Hα-helixtrans-84-12.6173.7-78.3-77.5000114.4I131 L155 Q187 T188 I189 D193 F194 F195I131-Y191 HydrophobicContact CB-CE2 4.4Å; I131-Y191 WeakPolarHBondContact CB-OH 3.42Å; I131-Y191 HydrophobicContact CD1-CE1 4.41Å; I131-Y191 WeakPolarHBondContact CD1-OH 3.39Å; I131-Y191 HydrophobicContact CG1-CE1 3.79Å; I131-Y191 WeakPolarHBondContact CG1-OH 3.45Å; I131-Y191 HydrophobicContact CG2-CE2 3.96Å; L155-Y191 WeakPolarHBondContact CD2-OH 3.46Å; L155-Y191 WeakPolarHBondContact CG-OH 3.5Å; Q187-Y191 HydrophobicContact CG-CD2 3.98Å; Q187-Y191 HydrophobicContact CG-CE2 3.7Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.46Å; Q187-Y191 PolarHBondContact O-N 2.9Å; T188-Y191 PolarHBondContact O-N 3.01Å; I189-Y191 PolarHBondContact O-N 3.14Å; Y191-D193 PolarHBondContact O-N 3.05Å; Y191-F194 WeakPolarHBondContact O-CB 3.46Å; Y191-F194 PolarHBondContact O-N 3.22Å; Y191-F195 WeakPolarHBondContact O-CG 3.33Å; Y191-F195 PolarHBondContact O-N 3.09Å
192A91.3Very high90.3Very high51 Ų5146.8 Ų46.842%0.42125%0.252SS..Hα-helixtrans-61.7-45-168.400000113.2T188 I189 F195 Y196T188-A192 PolarHBondContact O-N 3.41Å; T188-A192 VanDerWaalsContact O-N 3.13Å; I189-A192 VanDerWaalsContact O-CB 3.25Å; I189-A192 WeakPolarHBondContact O-CB 3.38Å; I189-A192 PolarHBondContact O-N 2.94Å; A192-F195 PolarHBondContact O-N 3.38Å; A192-Y196 PolarHBondContact O-N 3.11Å
193D87.7Confident89.5Confident93 Ų9347.7 Ų47.750%0.49725%0.253SS..Hα-helixtrans-63.2-43.3176.5-178.148000111.3Y191 F195 Y196 L197Y191-D193 PolarHBondContact O-N 3.05Å; D193-F195 VanDerWaalsContact C-N 3.34Å; D193-F195 PolarHBondContact O-N 3.46Å; D193-Y196 WeakPolarHBondContact O-CB 3.38Å; D193-Y196 PolarHBondContact O-N 2.87Å; D193-L197 WeakPolarHBondContact O-CG 3.34Å; D193-L197 PolarHBondContact O-N 3.12Å
194F88Confident88.8Confident6 Ų654.4 Ų54.43%0.02628%0.281CS..Hα-helixtrans-60-43.4175.5179.4-89.8000112.1L135 L138 L152 F153 Y191 Y196 L197 Y198 I208L135-F194 HydrophobicContact CD2-CB 4.32Å; L135-F194 HydrophobicContact CD2-CD2 4.35Å; L135-F194 HydrophobicContact CD2-CG 4.48Å; L138-F194 HydrophobicContact CD1-CE2 4.32Å; L152-F194 HydrophobicContact CB-CD1 4.09Å; L152-F194 HydrophobicContact CB-CE1 3.4Å; L152-F194 VanDerWaalsContact CB-CE1 3.4Å; L152-F194 HydrophobicContact CB-CE2 3.96Å; L152-F194 HydrophobicContact CB-CZ 3.35Å; L152-F194 HydrophobicContact CD1-CD2 4.12Å; L152-F194 HydrophobicContact CD1-CE2 3.52Å; L152-F194 HydrophobicContact CD1-CZ 3.78Å; L152-F194 HydrophobicContact CG-CE2 4.4Å; L152-F194 HydrophobicContact CG-CZ 4.2Å; F153-F194 HydrophobicContact CB-CE1 4.3Å; Y191-F194 WeakPolarHBondContact O-CB 3.46Å; Y191-F194 PolarHBondContact O-N 3.22Å; F194-Y196 VanDerWaalsContact C-N 3.35Å; F194-Y196 PolarHBondContact O-N 3.4Å; F194-L197 PolarHBondContact O-N 2.97Å; F194-Y198 HydrophobicContact CE1-CD2 4.45Å; F194-Y198 HydrophobicContact CZ-CD2 4.49Å; F194-Y198 WeakPolarHBondContact O-CB 3.32Å; F194-Y198 PolarHBondContact O-N 3.3Å; F194-I208 HydrophobicContact CD2-CD1 4.39Å; F194-I208 HydrophobicContact CE2-CD1 3.54Å; F194-I208 HydrophobicContact CZ-CD1 3.81Å
195F89.6Confident88Confident36 Ų3657.9 Ų57.916%0.15832%0.317CS..Hα-helixtrans-61.3-43.5176.6-71.6-34.3000112.6F153 G156 Y191 A192 D193 L197 Y198 V199F153-F195 AromaticContact CD2-CD1 3.66Å; F153-F195 HydrophobicContact CD2-CD1 3.66Å; F153-F195 AromaticContact CD2-CE1 3.89Å; F153-F195 HydrophobicContact CD2-CE1 3.89Å; F153-F195 AromaticContact CE2-CD1 3.95Å; F153-F195 HydrophobicContact CE2-CD1 3.95Å; F153-F195 HydrophobicContact CE2-CE1 4.18Å; G156-F195 VanDerWaalsContact CA-CZ 3.42Å; Y191-F195 WeakPolarHBondContact O-CG 3.33Å; Y191-F195 PolarHBondContact O-N 3.09Å; A192-F195 PolarHBondContact O-N 3.38Å; D193-F195 VanDerWaalsContact C-N 3.34Å; D193-F195 PolarHBondContact O-N 3.46Å; F195-L197 VanDerWaalsContact C-N 3.32Å; F195-L197 PolarHBondContact O-N 3.31Å; F195-Y198 PolarHBondContact O-N 3.04Å; F195-V199 WeakPolarHBondContact O-CG2 3.33Å; F195-V199 PolarHBondContact O-N 3.13Å
196Y89Confident87Confident153 Ų15363.7 Ų63.760%0.633%0.332SS*.Hα-helixtrans-57.6-47.7175.9173.7-101.6000111A192 D193 F194 Y198 V199 T200A192-Y196 PolarHBondContact O-N 3.11Å; D193-Y196 WeakPolarHBondContact O-CB 3.38Å; D193-Y196 PolarHBondContact O-N 2.87Å; F194-Y196 VanDerWaalsContact C-N 3.35Å; F194-Y196 PolarHBondContact O-N 3.4Å; Y196-Y198 PolarHBondContact O-N 3.48Å; Y196-V199 PolarHBondContact O-N 3.47Å; Y196-T200 HydrophobicContact CD2-CG2 4.07Å; Y196-T200 HydrophobicContact CE1-CG2 4.45Å; Y196-T200 HydrophobicContact CE2-CG2 3.71Å; Y196-T200 WeakPolarHBondContact O-CB 3.47Å; Y196-T200 VanDerWaalsContact O-CG2 3.31Å; Y196-T200 WeakPolarHBondContact O-CG2 3.46Å; Y196-T200 PolarHBondContact O-N 3.26Å; Y196-T200 PolarHBondContact O-OG1 3.28Å
197L84.2Confident85.8Confident8 Ų866.5 Ų66.54%0.04234%0.339CS..Hα-helixtrans-65.2-39178-66177.9000112.8D193 F194 F195 T200 R201 I208 L210D193-L197 WeakPolarHBondContact O-CG 3.34Å; D193-L197 PolarHBondContact O-N 3.12Å; F194-L197 PolarHBondContact O-N 2.97Å; F195-L197 VanDerWaalsContact C-N 3.32Å; F195-L197 PolarHBondContact O-N 3.31Å; L197-T200 PolarHBondContact O-OG1 2.92Å; L197-R201 VanDerWaalsContact O-CB 3.27Å; L197-R201 WeakPolarHBondContact O-CB 3.45Å; L197-R201 PolarHBondContact O-N 3.38Å; L197-I208 HydrophobicContact CB-CG2 4.32Å; L197-I208 HydrophobicContact CD1-CG2 4.28Å; L197-L210 HydrophobicContact CD1-CD2 3.33Å; L197-L210 HydrophobicContact CD1-CG 4.01Å
198Y86.5Confident84.6Confident15 Ų1566.5 Ų66.56%0.05934%0.339CS..Hα-helixtrans-62-50.5176.8178.2-88.8000111.7H150 F153 F194 F195 Y196 V202 L203H150-Y198 PolarHBondContact CE1-OH 3.22Å; H150-Y198 VanDerWaalsContact CE1-OH 3.31Å; H150-Y198 AromaticContact ND1-CE2 3.65Å; H150-Y198 AromaticContact ND1-CZ 3.65Å; H150-Y198 PolarHBondContact ND1-OH 3.27Å; F153-Y198 HydrophobicContact CB-CD1 4.21Å; F153-Y198 HydrophobicContact CB-CD2 3.85Å; F153-Y198 HydrophobicContact CB-CE1 4.08Å; F153-Y198 HydrophobicContact CB-CE2 3.71Å; F153-Y198 HydrophobicContact CB-CG 4.09Å; F153-Y198 HydrophobicContact CD1-CD1 4.46Å; F153-Y198 AromaticContact CD1-CE1 3.84Å; F153-Y198 HydrophobicContact CD1-CE1 3.84Å; F153-Y198 AromaticContact CD1-CZ 3.98Å; F153-Y198 AromaticContact CD2-CD1 3.2Å; F153-Y198 HydrophobicContact CD2-CD1 3.2Å; F153-Y198 HydrophobicContact CD2-CD2 4.3Å; F153-Y198 AromaticContact CD2-CE1 3.43Å; F153-Y198 HydrophobicContact CD2-CE1 3.43Å; F153-Y198 VanDerWaalsContact CD2-CE1 3.43Å; F153-Y198 HydrophobicContact CD2-CE2 4.48Å; F153-Y198 AromaticContact CD2-CG 3.67Å; F153-Y198 HydrophobicContact CD2-CG 3.67Å; F153-Y198 HydrophobicContact CE1-CE1 4.13Å; F153-Y198 AromaticContact CE2-CD1 3.6Å; F153-Y198 HydrophobicContact CE2-CD1 3.6Å; F153-Y198 AromaticContact CE2-CE1 3.76Å; F153-Y198 HydrophobicContact CE2-CE1 3.76Å; F153-Y198 HydrophobicContact CE2-CG 4.45Å; F153-Y198 AromaticContact CG-CD1 3.7Å; F153-Y198 HydrophobicContact CG-CD1 3.7Å; F153-Y198 HydrophobicContact CG-CD2 4.25Å; F153-Y198 AromaticContact CG-CE1 3.48Å; F153-Y198 HydrophobicContact CG-CE1 3.48Å; F153-Y198 VanDerWaalsContact CG-CE1 3.48Å; F153-Y198 HydrophobicContact CG-CE2 4.07Å; F153-Y198 HydrophobicContact CG-CG 4.07Å; F153-Y198 AromaticContact CG-CZ 3.67Å; F153-Y198 HydrophobicContact CZ-CD1 4.37Å; F153-Y198 HydrophobicContact CZ-CE1 4.1Å; F194-Y198 HydrophobicContact CE1-CD2 4.45Å; F194-Y198 HydrophobicContact CZ-CD2 4.49Å; F194-Y198 WeakPolarHBondContact O-CB 3.32Å; F194-Y198 PolarHBondContact O-N 3.3Å; F195-Y198 PolarHBondContact O-N 3.04Å; Y196-Y198 PolarHBondContact O-N 3.48Å; Y198-V202 HydrophobicContact CD2-CB 3.85Å; Y198-V202 HydrophobicContact CD2-CG1 4.06Å; Y198-V202 HydrophobicContact CD2-CG2 3.96Å; Y198-V202 HydrophobicContact CE2-CB 4.07Å; Y198-V202 HydrophobicContact CE2-CG1 3.79Å; Y198-V202 HydrophobicContact CG-CB 4.32Å; Y198-V202 WeakPolarHBondContact O-CA 3.47Å; Y198-V202 WeakPolarHBondContact O-CB 3.49Å; Y198-V202 PolarHBondContact O-N 2.9Å; Y198-L203 HydrophobicContact CD1-CG 4.34Å; Y198-L203 HydrophobicContact CE1-CD1 4.42Å; Y198-L203 HydrophobicContact CE1-CD2 3.83Å; Y198-L203 HydrophobicContact CE1-CG 3.97Å; Y198-L203 PolarHBondContact O-N 3.45Å
199V87.1Confident83.3Confident73 Ų7370.5 Ų70.544%0.44236%0.356SS..Hα-helixtrans-66.2-41.9-178.3171.70000111.3F195 Y196 L203F195-V199 WeakPolarHBondContact O-CG2 3.33Å; F195-V199 PolarHBondContact O-N 3.13Å; Y196-V199 PolarHBondContact O-N 3.47Å; V199-L203 HydrophobicContact CB-CD1 4.37Å; V199-L203 HydrophobicContact CG1-CD1 4.29Å; V199-L203 HydrophobicContact CG2-CD1 4.28Å
200T85.9Confident81.8Confident38 Ų3866.1 Ų66.123%0.23333%0.333CS..Hα-helixtrans-78-25.9-175.355.50000113.6Y196 L197 K204Y196-T200 HydrophobicContact CD2-CG2 4.07Å; Y196-T200 HydrophobicContact CE1-CG2 4.45Å; Y196-T200 HydrophobicContact CE2-CG2 3.71Å; Y196-T200 WeakPolarHBondContact O-CB 3.47Å; Y196-T200 VanDerWaalsContact O-CG2 3.31Å; Y196-T200 WeakPolarHBondContact O-CG2 3.46Å; Y196-T200 PolarHBondContact O-N 3.26Å; Y196-T200 PolarHBondContact O-OG1 3.28Å; L197-T200 PolarHBondContact O-OG1 2.92Å; T200-K204 VanDerWaalsContact O-CD 3.31Å; T200-K204 WeakPolarHBondContact O-CD 3.49Å
201R81.8Confident80.3Confident76 Ų7668.2 Ų68.229%0.28735%0.35SS..THydrogen-bonded Turntrans-116.5-58-174.1-57.7-175176.8162.1-10.5113.1L197 L203 K204 G205 R206 Q209L197-R201 VanDerWaalsContact O-CB 3.27Å; L197-R201 WeakPolarHBondContact O-CB 3.45Å; L197-R201 PolarHBondContact O-N 3.38Å; R201-L203 PolarHBondContact O-N 3.3Å; R201-K204 CarbonylContact O-C 3.23Å; R201-K204 WeakPolarHBondContact O-CA 3.26Å; R201-K204 PolarHBondContact O-N 3.13Å; R201-G205 PolarHBondContact O-N 3.16Å; R201-R206 CarbonylContact C-O 3.49Å; R201-R206 VanDerWaalsContact C-O 3.23Å; R201-R206 HydrophobicContact CB-CB 4.11Å; R201-R206 WeakPolarHBondContact O-CA 3.26Å; R201-R206 WeakPolarHBondContact O-CB 3.39Å; R201-R206 PolarHBondContact O-N 3.36Å; R201-Q209 VanDerWaalsContact NH1-C 3.31Å; R201-Q209 PolarHBondContact NH1-O 3.32Å
202V82.7Confident78.6Confident16 Ų1675.9 Ų75.910%0.09741%0.413CS..G310 helixtrans-64.9-44.7-172.8-177.70000111.6T146 Y198 K204 G205 R206 I208T146-V202 HydrophobicContact CG2-CG1 4.36Å; Y198-V202 HydrophobicContact CD2-CB 3.85Å; Y198-V202 HydrophobicContact CD2-CG1 4.06Å; Y198-V202 HydrophobicContact CD2-CG2 3.96Å; Y198-V202 HydrophobicContact CE2-CB 4.07Å; Y198-V202 HydrophobicContact CE2-CG1 3.79Å; Y198-V202 HydrophobicContact CG-CB 4.32Å; Y198-V202 WeakPolarHBondContact O-CA 3.47Å; Y198-V202 WeakPolarHBondContact O-CB 3.49Å; Y198-V202 PolarHBondContact O-N 2.9Å; V202-K204 PolarHBondContact O-N 2.96Å; V202-G205 PolarHBondContact O-N 3.1Å; V202-R206 WeakPolarHBondContact CA-O 3.42Å; V202-R206 PolarHBondContact N-O 3.36Å; V202-I208 HydrophobicContact CG2-CD1 3.65Å; V202-I208 HydrophobicContact CG2-CG1 3.3Å
203L78.3Confident77.9Confident109 Ų10977.1 Ų77.157%0.57141%0.413SS*.G310 helixtrans-63.8-22.1176.9-65.8-176.8000113.1Y198 V199 R201 G205Y198-L203 HydrophobicContact CD1-CG 4.34Å; Y198-L203 HydrophobicContact CE1-CD1 4.42Å; Y198-L203 HydrophobicContact CE1-CD2 3.83Å; Y198-L203 HydrophobicContact CE1-CG 3.97Å; Y198-L203 PolarHBondContact O-N 3.45Å; V199-L203 HydrophobicContact CB-CD1 4.37Å; V199-L203 HydrophobicContact CG1-CD1 4.29Å; V199-L203 HydrophobicContact CG2-CD1 4.28Å; R201-L203 PolarHBondContact O-N 3.3Å; L203-G205 VanDerWaalsContact C-N 3.32Å
204K82.2Confident77.4Confident146 Ų14676.3 Ų76.364%0.63541%0.408SS*.G310 helixtrans-91.810.7174.4-58.4-172.1-172174.20113T200 R201 V202 R206T200-K204 VanDerWaalsContact O-CD 3.31Å; T200-K204 WeakPolarHBondContact O-CD 3.49Å; R201-K204 CarbonylContact O-C 3.23Å; R201-K204 WeakPolarHBondContact O-CA 3.26Å; R201-K204 PolarHBondContact O-N 3.13Å; V202-K204 PolarHBondContact O-N 2.96Å; K204-R206 VanDerWaalsContact C-N 3.28Å; K204-R206 PolarHBondContact O-N 2.88Å
205G77.3Confident76.8Confident74 Ų7480.2 Ų80.276%0.76343%0.43SS*.THydrogen-bonded Turntrans73.313.1-177.900000114.8R201 V202 L203R201-G205 PolarHBondContact O-N 3.16Å; V202-G205 PolarHBondContact O-N 3.1Å; L203-G205 VanDerWaalsContact C-N 3.32Å
206R74.7Confident76.1Confident172 Ų17282.8 Ų82.865%0.64945%0.446SS*.PPolyproline II helixtrans-96.7148177.4-57.5179.9-179.2-175.9-1.9110.4R201 V202 K204R201-R206 CarbonylContact C-O 3.49Å; R201-R206 VanDerWaalsContact C-O 3.23Å; R201-R206 HydrophobicContact CB-CB 4.11Å; R201-R206 WeakPolarHBondContact O-CA 3.26Å; R201-R206 WeakPolarHBondContact O-CB 3.39Å; R201-R206 PolarHBondContact O-N 3.36Å; V202-R206 WeakPolarHBondContact CA-O 3.42Å; V202-R206 PolarHBondContact N-O 3.36Å; K204-R206 VanDerWaalsContact C-N 3.28Å; K204-R206 PolarHBondContact O-N 2.88Å
207K70.6Confident75.3Confident121 Ų12178.4 Ų78.453%0.52644%0.436SS..PPolyproline II helixtrans-69.6150.3175-67.4-176.7172.9-173.80111.7E143 Q209E143-K207 IonicContact OE1-NZ 3.83Å; E143-K207 WeakPolarHBondContact OE2-CD 3.48Å; E143-K207 IonicContact OE2-NZ 2.79Å; E143-K207 PolarHBondContact OE2-NZ 2.78Å; K207-Q209 PolarHBondContact O-N 3.43Å
208I69.4Low74.7Confident1 Ų183.1 Ų83.11%0.00546%0.462CS..BIsolated β-bridgetrans-73.6121.9169.4-60.6-174.1000108.1E143 A144 S149 F194 L197 V202 L210E143-I208 WeakPolarHBondContact CA-O 3.39Å; A144-I208 HydrophobicContact CB-CB 4.18Å; A144-I208 HydrophobicContact CB-CD1 4.44Å; S149-I208 VanDerWaalsContact OG-CD1 3.32Å; S149-I208 WeakPolarHBondContact OG-CD1 3.37Å; F194-I208 HydrophobicContact CD2-CD1 4.39Å; F194-I208 HydrophobicContact CE2-CD1 3.54Å; F194-I208 HydrophobicContact CZ-CD1 3.81Å; L197-I208 HydrophobicContact CB-CG2 4.32Å; L197-I208 HydrophobicContact CD1-CG2 4.28Å; V202-I208 HydrophobicContact CG2-CD1 3.65Å; V202-I208 HydrophobicContact CG2-CG1 3.3Å; I208-L210 HydrophobicContact CG2-CG 4.27Å
209Q64.6Low73.8Confident114 Ų11487.9 Ų87.953%0.53349%0.491SS..  trans-117.795.9168.5-72179.9-13.400111.1G142 R201 K207G142-Q209 VanDerWaalsContact O-CA 3.26Å; G142-Q209 WeakPolarHBondContact O-CA 3.24Å; R201-Q209 VanDerWaalsContact NH1-C 3.31Å; R201-Q209 PolarHBondContact NH1-O 3.32Å; K207-Q209 PolarHBondContact O-N 3.43Å
210L63.5Low72.8Confident31 Ų3189.1 Ų89.116%0.16250%0.495CS..  trans-64.1132.4176.3-76.9152.2000108.8L138 L197 I208 A212L138-L210 VanDerWaalsContact C-CD1 3.46Å; L138-L210 HydrophobicContact CB-CD1 3.56Å; L197-L210 HydrophobicContact CD1-CD2 3.33Å; L197-L210 HydrophobicContact CD1-CG 4.01Å; I208-L210 HydrophobicContact CG2-CG 4.27Å; L210-A212 PolarHBondContact O-N 3.26Å
211P61Low71.7Confident100 Ų10093.3 Ų93.365%0.64952%0.517SS*.  trans-59.4137.616925.5-30.4000108.8
212A54.5Low70.8Confident160 Ų16094.9 Ų94.9100%1.32254%0.537SS*.  trans-67.30-179.700000112.4L210L210-A212 PolarHBondContact O-N 3.26Å

Retrieved 212 of 212 residues in 148 ms (Link to these results)

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