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Cytochrome c oxidase subunit 1

Component of the cytochrome c oxidase, the last enzyme in the mitochondrial electron transport chain which drives oxidative phosphorylation. The respiratory chain contains 3 multisubunit complexes succinate dehydrogenase (complex II, CII), ubiquinol-cytochrome c oxidoreductase (cytochrome b-c1 complex, complex III, CIII) and cytochrome c oxidase (complex IV, CIV), that cooperate to transfer electrons derived from NADH and succinate to molecular oxygen, creating an electrochemical gradient over the inner membrane that drives transmembrane transport and the ATP synthase. Cytochrome c oxidase is the component of the respiratory chain that catalyzes the reduction of oxygen to water. Electrons originating from reduced cytochrome c in the intermembrane space (IMS) are transferred via the dinuclear copper A center (CU(A)) of subunit 2 and heme A of subunit 1 to the active site in subunit 1, a binuclear center (BNC) formed by heme A3 and copper B (CU(B)). The BNC reduces molecular oxygen to 2 water molecules using 4 electrons from cytochrome c in the IMS and 4 protons from the mitochondrial matrix.

AlphaFold DB , UniProt , Accession A0A023UIB9, Species DROME (Drosophila melanogaster, Fruit fly), Gene COI, Length 235 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
1S90.1Very high97.6Very high69 Ų6944.5 Ų44.548%0.48325%0.248SC..  0163.70-1770000108.2N3 D6 N91S1-N3 PolarHBondContact OG-N 2.99Å; S1-D6 WeakPolarHBondContact OG-CB 3.43Å; S1-D6 PolarHBondContact OG-OD2 2.53Å; S1-N91 PolarHBondContact N-OD1 2.64Å; S1-N91 VanDerWaalsContact O-CB 3.29Å; S1-N91 WeakPolarHBondContact O-CB 3.43Å; S1-N91 PolarHBondContact O-OD1 2.99Å
2T96.4Very high97.7Very high73 Ų7345.1 Ų45.145%0.44825%0.246SC..  trans-114-8.8165.651.30000112.4P87 R88T2-P87 WeakPolarHBondContact O-CB 3.15Å; T2-R88 HydrophobicContact CG2-CG 3.98Å
3N98.2Very high97.8Very high60 Ų6050.1 Ų50.132%0.32127%0.27SS..  trans-74.7130.2-178.9-173.4-75.7000110.7S1 K5 D6 I7S1-N3 PolarHBondContact OG-N 2.99Å; N3-K5 PolarHBondContact O-N 3.35Å; N3-K5 WeakPolarHBondContact OD1-CA 3.06Å; N3-K5 WeakPolarHBondContact OD1-CB 3.25Å; N3-K5 PolarHBondContact OD1-N 3.19Å; N3-D6 HydrophobicContact CB-CB 4.45Å; N3-D6 PolarHBondContact O-N 3.28Å; N3-I7 WeakPolarHBondContact O-CG1 3.44Å; N3-I7 PolarHBondContact O-N 3.17Å; N3-I7 VanDerWaalsContact O-N 3.16Å
4H98.4Very high97.8Very high4 Ų449.6 Ų49.62%0.01926%0.263CS..Hα-helixtrans-58-30.617970.1101.7000114.8G8 N72 P76 D83 M84H4-G8 PolarHBondContact O-N 2.88Å; H4-N72 PolarHBondContact ND1-O 3.4Å; H4-P76 HydrophobicContact CB-CG 4.31Å; H4-D83 VanDerWaalsContact CB-OD1 3.22Å; H4-D83 WeakPolarHBondContact CB-OD1 3.43Å; H4-D83 IonicContact CD2-OD1 3.36Å; H4-D83 PolarHBondContact CD2-OD1 3.24Å; H4-D83 IonicContact CG-OD1 3.61Å; H4-D83 PolarHBondContact N-OD1 2.94Å; H4-M84 HydrophobicContact CB-CG 3.79Å
5K98.6Very high97.9Very high81 Ų8146.3 Ų46.335%0.35225%0.246SC..Hα-helixtrans-70.3-50.6178.4-58.8-179.1-176.8175.60110.5N3 I7 G8 T9 W73N3-K5 PolarHBondContact O-N 3.35Å; N3-K5 WeakPolarHBondContact OD1-CA 3.06Å; N3-K5 WeakPolarHBondContact OD1-CB 3.25Å; N3-K5 PolarHBondContact OD1-N 3.19Å; K5-I7 PolarHBondContact O-N 2.99Å; K5-G8 CarbonylContact O-C 3.6Å; K5-G8 WeakPolarHBondContact O-CA 3.45Å; K5-G8 PolarHBondContact O-N 3.33Å; K5-G8 VanDerWaalsContact O-N 3.07Å; K5-T9 PolarHBondContact O-N 3.39Å; K5-W73 HydrophobicContact CB-CE3 3.87Å; K5-W73 HydrophobicContact CB-CH2 4.07Å; K5-W73 HydrophobicContact CB-CZ3 3.58Å; K5-W73 HydrophobicContact CG-CE3 4.43Å; K5-W73 HydrophobicContact CG-CZ3 4.43Å; K5-W73 WeakPolarHBondContact O-CZ3 3.42Å
6D98.6Very high97.9Very high83 Ų8346.8 Ų46.844%0.44426%0.258SS..Hα-helixtrans-55.3-45.3177.2-62.7-16.3000111S1 N3 T9 L10S1-D6 WeakPolarHBondContact OG-CB 3.43Å; S1-D6 PolarHBondContact OG-OD2 2.53Å; N3-D6 HydrophobicContact CB-CB 4.45Å; N3-D6 PolarHBondContact O-N 3.28Å; D6-T9 PolarHBondContact O-N 3.29Å; D6-L10 WeakPolarHBondContact O-CG 3.15Å; D6-L10 PolarHBondContact O-N 2.94Å
7I98.6Very high98Very high0 Ų050.8 Ų50.80%027%0.268CS..Hα-helixtrans-64.3-43.8178-64.7165.6000110.5N3 K5 T9 L10 Y11 N90 N91 F94N3-I7 WeakPolarHBondContact O-CG1 3.44Å; N3-I7 PolarHBondContact O-N 3.17Å; N3-I7 VanDerWaalsContact O-N 3.16Å; K5-I7 PolarHBondContact O-N 2.99Å; I7-T9 PolarHBondContact O-N 3.12Å; I7-L10 WeakPolarHBondContact O-CB 3.37Å; I7-L10 PolarHBondContact O-N 3.11Å; I7-Y11 HydrophobicContact CG2-CD2 3.76Å; I7-Y11 HydrophobicContact CG2-CE2 3.6Å; I7-Y11 VanDerWaalsContact O-CD2 3.25Å; I7-Y11 WeakPolarHBondContact O-CD2 3.37Å; I7-Y11 PolarHBondContact O-N 3.32Å; I7-N90 HydrophobicContact CD1-CB 4.11Å; I7-N91 HydrophobicContact CD1-CB 3.89Å; I7-F94 HydrophobicContact CG2-CB 4.22Å
8G98.6Very high98Very high0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-59-42.8174.500000113.1H4 K5 Y11 F12H4-G8 PolarHBondContact O-N 2.88Å; K5-G8 CarbonylContact O-C 3.6Å; K5-G8 WeakPolarHBondContact O-CA 3.45Å; K5-G8 PolarHBondContact O-N 3.33Å; K5-G8 VanDerWaalsContact O-N 3.07Å; G8-Y11 WeakPolarHBondContact O-CB 3.47Å; G8-Y11 PolarHBondContact O-N 3.42Å; G8-F12 WeakPolarHBondContact O-CD2 3.13Å; G8-F12 PolarHBondContact O-N 3.44Å
9T98.8Very high98Very high53 Ų5345.7 Ų45.733%0.32524%0.243SC..Hα-helixtrans-62.1-42.9173.2-70.50000111.8K5 D6 I7 Y11 F12 I13 W73K5-T9 PolarHBondContact O-N 3.39Å; D6-T9 PolarHBondContact O-N 3.29Å; I7-T9 PolarHBondContact O-N 3.12Å; T9-Y11 VanDerWaalsContact C-N 3.31Å; T9-Y11 PolarHBondContact O-N 3Å; T9-F12 PolarHBondContact O-N 2.64Å; T9-F12 VanDerWaalsContact O-N 3.16Å; T9-I13 HydrophobicContact CG2-CD1 3.68Å; T9-I13 HydrophobicContact CG2-CG1 4.24Å; T9-I13 WeakPolarHBondContact O-CG1 3.32Å; T9-I13 PolarHBondContact O-N 3.21Å; T9-W73 WeakPolarHBondContact OG1-CZ3 3.37Å
10L98.7Very high98.1Very high57 Ų5749.8 Ų49.830%0.29826%0.262SS..Hα-helixtrans-60.1-43.1176.9-73.9174000111.3D6 I7 F12 I13 W14 F94D6-L10 WeakPolarHBondContact O-CG 3.15Å; D6-L10 PolarHBondContact O-N 2.94Å; I7-L10 WeakPolarHBondContact O-CB 3.37Å; I7-L10 PolarHBondContact O-N 3.11Å; L10-F12 PolarHBondContact O-N 3.02Å; L10-I13 PolarHBondContact O-N 3.03Å; L10-W14 WeakPolarHBondContact O-CB 3.36Å; L10-W14 PolarHBondContact O-N 3.41Å; L10-F94 VanDerWaalsContact C-CE2 3.46Å; L10-F94 HydrophobicContact CB-CD1 4.29Å; L10-F94 HydrophobicContact CB-CD2 4.06Å; L10-F94 HydrophobicContact CB-CE1 3.92Å; L10-F94 HydrophobicContact CB-CE2 3.67Å; L10-F94 HydrophobicContact CB-CG 4.37Å; L10-F94 HydrophobicContact CB-CZ 3.61Å; L10-F94 HydrophobicContact CD1-CD1 4.16Å; L10-F94 HydrophobicContact CD1-CE1 3.96Å; L10-F94 HydrophobicContact CD1-CZ 4.47Å; L10-F94 HydrophobicContact CD2-CZ 4.44Å; L10-F94 HydrophobicContact CG-CE1 4.37Å; L10-F94 HydrophobicContact CG-CZ 4.39Å; L10-F94 WeakPolarHBondContact O-CE2 3.41Å
11Y98.8Very high98.1Very high10 Ų1049 Ų494%0.03926%0.259CS..Hα-helixtrans-58.7-42.6172.9-87.1-70000112.8I7 G8 T9 G15 P64 G68 S93 F94 L97I7-Y11 HydrophobicContact CG2-CD2 3.76Å; I7-Y11 HydrophobicContact CG2-CE2 3.6Å; I7-Y11 VanDerWaalsContact O-CD2 3.25Å; I7-Y11 WeakPolarHBondContact O-CD2 3.37Å; I7-Y11 PolarHBondContact O-N 3.32Å; G8-Y11 WeakPolarHBondContact O-CB 3.47Å; G8-Y11 PolarHBondContact O-N 3.42Å; T9-Y11 VanDerWaalsContact C-N 3.31Å; T9-Y11 PolarHBondContact O-N 3Å; Y11-G15 PolarHBondContact O-N 2.99Å; Y11-P64 HydrophobicContact CD1-CB 3.99Å; Y11-G68 WeakPolarHBondContact CD2-O 3.35Å; Y11-G68 VanDerWaalsContact CG-C 3.49Å; Y11-S93 VanDerWaalsContact OH-C 3.22Å; Y11-S93 WeakPolarHBondContact OH-CB 3.4Å; Y11-S93 PolarHBondContact OH-OG 3.27Å; Y11-F94 AromaticContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD2-CB 4.37Å; Y11-F94 HydrophobicContact CD2-CD2 4.1Å; Y11-F94 HydrophobicContact CE1-CB 4.38Å; Y11-F94 HydrophobicContact CE1-CD2 4.07Å; Y11-F94 HydrophobicContact CE2-CB 3.75Å; Y11-F94 HydrophobicContact CE2-CD2 4.23Å; Y11-F94 HydrophobicContact CE2-CG 4.46Å; Y11-F94 AromaticContact CG-CD2 3.93Å; Y11-F94 HydrophobicContact CG-CD2 3.93Å; Y11-F94 WeakPolarHBondContact OH-CA 3.41Å; Y11-F94 PolarHBondContact OH-N 3.38Å; Y11-F94 VanDerWaalsContact OH-N 3.08Å; Y11-L97 HydrophobicContact CD1-CD1 3.94Å; Y11-L97 HydrophobicContact CE1-CD1 3.5Å
12F98.8Very high98.5Very high51 Ų5145.7 Ų45.722%0.22424%0.236CC..Hα-helixtrans-64.7-48.4176.8-73.4-54000113G8 T9 L10 W14 G15 A16 I65 F70 W73G8-F12 WeakPolarHBondContact O-CD2 3.13Å; G8-F12 PolarHBondContact O-N 3.44Å; T9-F12 PolarHBondContact O-N 2.64Å; T9-F12 VanDerWaalsContact O-N 3.16Å; L10-F12 PolarHBondContact O-N 3.02Å; F12-W14 VanDerWaalsContact C-N 3.33Å; F12-W14 PolarHBondContact O-N 2.83Å; F12-G15 PolarHBondContact O-N 2.94Å; F12-A16 VanDerWaalsContact O-CB 3.26Å; F12-A16 WeakPolarHBondContact O-CB 3.37Å; F12-A16 PolarHBondContact O-N 3.02Å; F12-I65 HydrophobicContact CD1-CG2 4.1Å; F12-I65 HydrophobicContact CE1-CG2 4.07Å; F12-F70 HydrophobicContact CE1-CD1 4.08Å; F12-F70 AromaticContact CE1-CD2 3.7Å; F12-F70 HydrophobicContact CE1-CD2 3.7Å; F12-F70 HydrophobicContact CE1-CE1 4.11Å; F12-F70 AromaticContact CE1-CE2 3.75Å; F12-F70 HydrophobicContact CE1-CE2 3.75Å; F12-F70 AromaticContact CE1-CG 3.86Å; F12-F70 HydrophobicContact CE1-CG 3.86Å; F12-F70 AromaticContact CE1-CZ 3.95Å; F12-F70 HydrophobicContact CE1-CZ 3.95Å; F12-F70 HydrophobicContact CZ-CB 4.25Å; F12-F70 AromaticContact CZ-CD1 3.56Å; F12-F70 HydrophobicContact CZ-CD1 3.56Å; F12-F70 HydrophobicContact CZ-CD2 4Å; F12-F70 AromaticContact CZ-CE1 3.8Å; F12-F70 HydrophobicContact CZ-CE1 3.8Å; F12-F70 HydrophobicContact CZ-CE2 4.23Å; F12-F70 AromaticContact CZ-CG 3.66Å; F12-F70 HydrophobicContact CZ-CG 3.66Å; F12-F70 HydrophobicContact CZ-CZ 4.13Å; F12-W73 HydrophobicContact CE2-CB 4.33Å
13I98.7Very high98.6Very high110 Ų11045.4 Ų45.456%0.56423%0.234SC*.Hα-helixtrans-62.2-46.6-179.8-66.4170.5000109.7T9 L10 W17T9-I13 HydrophobicContact CG2-CD1 3.68Å; T9-I13 HydrophobicContact CG2-CG1 4.24Å; T9-I13 WeakPolarHBondContact O-CG1 3.32Å; T9-I13 PolarHBondContact O-N 3.21Å; L10-I13 PolarHBondContact O-N 3.03Å; I13-W17 WeakPolarHBondContact O-CB 3.36Å; I13-W17 PolarHBondContact O-N 3.19Å
14W98.5Very high98.6Very high44 Ų4445.3 Ų45.317%0.16724%0.238CC..Hα-helixtrans-62.4-49.4178.6179.1-104.4000112.1L10 F12 A16 W17 A18 F94 P98 L101L10-W14 WeakPolarHBondContact O-CB 3.36Å; L10-W14 PolarHBondContact O-N 3.41Å; F12-W14 VanDerWaalsContact C-N 3.33Å; F12-W14 PolarHBondContact O-N 2.83Å; W14-A16 VanDerWaalsContact C-N 3.35Å; W14-A16 PolarHBondContact O-N 3.06Å; W14-W17 HydrophobicContact CH2-CE3 4.48Å; W14-W17 HydrophobicContact CH2-CZ3 4.32Å; W14-W17 HydrophobicContact CZ3-CE3 4.22Å; W14-W17 HydrophobicContact CZ3-CZ3 4.4Å; W14-W17 PolarHBondContact O-N 3.36Å; W14-A18 WeakPolarHBondContact O-CB 3.45Å; W14-A18 PolarHBondContact O-N 3.26Å; W14-F94 HydrophobicContact CB-CE2 3.82Å; W14-F94 HydrophobicContact CB-CZ 4.28Å; W14-F94 HydrophobicContact CG-CE2 4.2Å; W14-P98 HydrophobicContact CE3-CG 4.47Å; W14-P98 HydrophobicContact CH2-CB 3.91Å; W14-P98 HydrophobicContact CH2-CG 4.2Å; W14-P98 HydrophobicContact CZ2-CB 4.22Å; W14-P98 HydrophobicContact CZ2-CG 4.26Å; W14-P98 HydrophobicContact CZ3-CB 4.29Å; W14-P98 HydrophobicContact CZ3-CG 4.3Å; W14-L101 HydrophobicContact CH2-CB 4.22Å; W14-L101 HydrophobicContact CH2-CD2 3.79Å; W14-L101 HydrophobicContact CZ2-CB 3.65Å; W14-L101 HydrophobicContact CZ2-CD2 3.41Å; W14-L101 VanDerWaalsContact CZ2-CD2 3.41Å; W14-L101 HydrophobicContact CZ2-CG 4.15Å
15G98.6Very high98.6Very high0 Ų046.4 Ų46.40%024%0.244CC..Hα-helixtrans-63.6-39.2-179.800000112.7Y11 F12 G19 F60Y11-G15 PolarHBondContact O-N 2.99Å; F12-G15 PolarHBondContact O-N 2.94Å; G15-G19 PolarHBondContact O-N 3.11Å; G15-F60 WeakPolarHBondContact CA-O 3.37Å
16A98.6Very high98.6Very high53 Ų5344.1 Ų44.144%0.43824%0.238SC..Hα-helixtrans-64.1-43.2173.700000111.6F12 W14 G19 M20F12-A16 VanDerWaalsContact O-CB 3.26Å; F12-A16 WeakPolarHBondContact O-CB 3.37Å; F12-A16 PolarHBondContact O-N 3.02Å; W14-A16 VanDerWaalsContact C-N 3.35Å; W14-A16 PolarHBondContact O-N 3.06Å; A16-G19 PolarHBondContact O-N 3.35Å; A16-M20 WeakPolarHBondContact O-CG 3.5Å; A16-M20 PolarHBondContact O-N 2.84Å
17W98.7Very high98.6Very high116 Ų11645.5 Ų45.544%0.43925%0.245SC..Hα-helixtrans-63.3-49.8176.9-176.789.6000112.1I13 W14 G19 M20 V21 L101I13-W17 WeakPolarHBondContact O-CB 3.36Å; I13-W17 PolarHBondContact O-N 3.19Å; W14-W17 HydrophobicContact CH2-CE3 4.48Å; W14-W17 HydrophobicContact CH2-CZ3 4.32Å; W14-W17 HydrophobicContact CZ3-CE3 4.22Å; W14-W17 HydrophobicContact CZ3-CZ3 4.4Å; W14-W17 PolarHBondContact O-N 3.36Å; W17-G19 VanDerWaalsContact C-N 3.28Å; W17-G19 PolarHBondContact O-N 3.34Å; W17-M20 HydrophobicContact CB-CE 4.45Å; W17-M20 WeakPolarHBondContact O-CB 3.48Å; W17-M20 PolarHBondContact O-N 3.35Å; W17-M20 VanDerWaalsContact O-N 3.15Å; W17-V21 HydrophobicContact CD2-CG2 4.45Å; W17-V21 HydrophobicContact CE3-CG2 4.28Å; W17-V21 HydrophobicContact CH2-CG2 3.91Å; W17-V21 HydrophobicContact CZ2-CG2 4.09Å; W17-V21 HydrophobicContact CZ3-CG2 4.01Å; W17-V21 PolarHBondContact O-N 3.2Å; W17-L101 HydrophobicContact CE3-CD2 4.26Å; W17-L101 HydrophobicContact CZ3-CD2 3.66Å
18A98.6Very high98.6Very high0 Ų049.7 Ų49.70%027%0.266CS..Hα-helixtrans-61.4-39.2176.300000111.3W14 M20 V21 G22 I56 F60 L101W14-A18 WeakPolarHBondContact O-CB 3.45Å; W14-A18 PolarHBondContact O-N 3.26Å; A18-M20 VanDerWaalsContact C-N 3.32Å; A18-M20 PolarHBondContact O-N 3.43Å; A18-V21 WeakPolarHBondContact O-CB 3.27Å; A18-V21 PolarHBondContact O-N 2.87Å; A18-V21 VanDerWaalsContact O-N 3.11Å; A18-G22 PolarHBondContact O-N 2.97Å; A18-I56 HydrophobicContact CB-CG2 4.39Å; A18-I56 WeakPolarHBondContact O-CG2 3.36Å; A18-F60 HydrophobicContact CB-CB 3.88Å; A18-F60 WeakPolarHBondContact CB-O 3.49Å; A18-L101 HydrophobicContact CB-CD2 3.92Å
19G98.6Very high98.6Very high5 Ų550.4 Ų50.45%0.05227%0.27CS..Hα-helixtrans-60.5-36.6174.400000113.7G15 A16 W17 G22 T23 M61G15-G19 PolarHBondContact O-N 3.11Å; A16-G19 PolarHBondContact O-N 3.35Å; W17-G19 VanDerWaalsContact C-N 3.28Å; W17-G19 PolarHBondContact O-N 3.34Å; G19-G22 PolarHBondContact O-N 2.86Å; G19-T23 WeakPolarHBondContact O-CB 3.29Å; G19-T23 PolarHBondContact O-N 3Å; G19-T23 PolarHBondContact O-OG1 3.42Å; G19-M61 VanDerWaalsContact CA-SD 3.59Å
20M98.6Very high98.5Very high127 Ų12756.5 Ų56.563%0.62629%0.287SS*.Hα-helixtrans-64.8-40.7172.5-70.9-172.8-68.900111.8A16 W17 A18 T23 S24A16-M20 WeakPolarHBondContact O-CG 3.5Å; A16-M20 PolarHBondContact O-N 2.84Å; W17-M20 HydrophobicContact CB-CE 4.45Å; W17-M20 WeakPolarHBondContact O-CB 3.48Å; W17-M20 PolarHBondContact O-N 3.35Å; W17-M20 VanDerWaalsContact O-N 3.15Å; A18-M20 VanDerWaalsContact C-N 3.32Å; A18-M20 PolarHBondContact O-N 3.43Å; M20-T23 PolarHBondContact O-N 3.17Å; M20-S24 PolarHBondContact O-N 2.93Å
21V98.5Very high98.5Very high32 Ų3255.9 Ų55.919%0.19429%0.29CS..Hα-helixtrans-63.9-45.7173.9-179.50000110.8W17 A18 T23 S24 L25 I56 L105W17-V21 HydrophobicContact CD2-CG2 4.45Å; W17-V21 HydrophobicContact CE3-CG2 4.28Å; W17-V21 HydrophobicContact CH2-CG2 3.91Å; W17-V21 HydrophobicContact CZ2-CG2 4.09Å; W17-V21 HydrophobicContact CZ3-CG2 4.01Å; W17-V21 PolarHBondContact O-N 3.2Å; A18-V21 WeakPolarHBondContact O-CB 3.27Å; A18-V21 PolarHBondContact O-N 2.87Å; A18-V21 VanDerWaalsContact O-N 3.11Å; V21-T23 VanDerWaalsContact C-N 3.32Å; V21-T23 PolarHBondContact O-N 3.39Å; V21-S24 PolarHBondContact O-N 3.49Å; V21-S24 PolarHBondContact O-OG 3.48Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 3.41Å; V21-I56 HydrophobicContact CG1-CD1 3.95Å; V21-L105 HydrophobicContact CG1-CD2 4.41Å
22G98.6Very high98.4Very high0 Ų056.4 Ų56.40%029%0.293CS..Hα-helixtrans-61.9-40.9176.900000112.2A18 G19 L25 S26 H53A18-G22 PolarHBondContact O-N 2.97Å; G19-G22 PolarHBondContact O-N 2.86Å; G22-L25 PolarHBondContact O-N 3.48Å; G22-S26 PolarHBondContact O-N 3.46Å; G22-H53 PolarHBondContact O-CE1 3.37Å; G22-H53 PolarHBondContact O-ND1 2.88Å
23T98.6Very high98.4Very high67 Ų6758.8 Ų58.841%0.41131%0.307SS..Hα-helixtrans-67-38.4178.6-57.70000111.8G19 M20 V21 L25 S26 I27G19-T23 WeakPolarHBondContact O-CB 3.29Å; G19-T23 PolarHBondContact O-N 3Å; G19-T23 PolarHBondContact O-OG1 3.42Å; M20-T23 PolarHBondContact O-N 3.17Å; V21-T23 VanDerWaalsContact C-N 3.32Å; V21-T23 PolarHBondContact O-N 3.39Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 3.34Å; T23-S26 WeakPolarHBondContact O-CA 3.42Å; T23-S26 VanDerWaalsContact O-CB 3.25Å; T23-S26 WeakPolarHBondContact O-CB 3.37Å; T23-S26 PolarHBondContact O-N 3.01Å; T23-S26 VanDerWaalsContact O-N 3.1Å; T23-I27 HydrophobicContact CG2-CD1 4.48Å; T23-I27 WeakPolarHBondContact O-CG1 3.29Å; T23-I27 PolarHBondContact O-N 3.25Å
24S98.4Very high98.3Very high59 Ų5956.5 Ų56.541%0.41331%0.311SS..Hα-helixtrans-63.1-40.2176.270.60000111.7M20 V21 S26 I27 L28M20-S24 PolarHBondContact O-N 2.93Å; V21-S24 PolarHBondContact O-N 3.49Å; V21-S24 PolarHBondContact O-OG 3.48Å; S24-S26 VanDerWaalsContact C-N 3.32Å; S24-S26 PolarHBondContact O-N 3.09Å; S24-I27 PolarHBondContact O-N 3.35Å; S24-L28 PolarHBondContact O-N 2.94Å
25L98.5Very high98.1Very high27 Ų2759.8 Ų59.814%0.14133%0.328CS..Hα-helixtrans-61.8-39.1171.7-61.9177.4000111.9V21 G22 T23 I27 L28 I29 I49 A52 H53 I56V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 3.41Å; G22-L25 PolarHBondContact O-N 3.48Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 3.34Å; L25-I27 VanDerWaalsContact C-N 3.31Å; L25-I27 PolarHBondContact O-N 2.85Å; L25-L28 HydrophobicContact CD2-CD1 4.45Å; L25-L28 WeakPolarHBondContact O-CB 3.27Å; L25-L28 PolarHBondContact O-N 3.47Å; L25-I29 WeakPolarHBondContact O-CG1 3.43Å; L25-I29 PolarHBondContact O-N 3.01Å; L25-I49 HydrophobicContact CB-CG2 3.96Å; L25-I49 HydrophobicContact CD2-CG2 4.08Å; L25-A52 HydrophobicContact CD1-CB 3.84Å; L25-H53 HydrophobicContact CB-CB 3.94Å; L25-H53 HydrophobicContact CD1-CB 4.38Å; L25-I56 HydrophobicContact CD1-CD1 3.85Å
26S98.4Very high97.9Very high33 Ų3366 Ų6623%0.23137%0.368CS..Hα-helixtrans-60.4-40.5175-155.80000112.6G22 T23 S24 L28 I29 R30 H53G22-S26 PolarHBondContact O-N 3.46Å; T23-S26 WeakPolarHBondContact O-CA 3.42Å; T23-S26 VanDerWaalsContact O-CB 3.25Å; T23-S26 WeakPolarHBondContact O-CB 3.37Å; T23-S26 PolarHBondContact O-N 3.01Å; T23-S26 VanDerWaalsContact O-N 3.1Å; S24-S26 VanDerWaalsContact C-N 3.32Å; S24-S26 PolarHBondContact O-N 3.09Å; S26-L28 VanDerWaalsContact C-N 3.33Å; S26-L28 PolarHBondContact O-N 3.44Å; S26-I29 PolarHBondContact O-N 2.87Å; S26-R30 VanDerWaalsContact O-CG 3.31Å; S26-R30 WeakPolarHBondContact O-CG 3.34Å; S26-R30 PolarHBondContact O-N 3.41Å; S26-H53 VanDerWaalsContact CB-CE1 3.42Å; S26-H53 WeakPolarHBondContact CB-CE1 3.24Å
27I98.4Very high97.5Very high112 Ų11266.5 Ų66.557%0.57438%0.378SS*.Hα-helixtrans-63.2-41.2176.7-67.2167.6000110.4T23 S24 L25 R30 A31T23-I27 HydrophobicContact CG2-CD1 4.48Å; T23-I27 WeakPolarHBondContact O-CG1 3.29Å; T23-I27 PolarHBondContact O-N 3.25Å; S24-I27 PolarHBondContact O-N 3.35Å; L25-I27 VanDerWaalsContact C-N 3.31Å; L25-I27 PolarHBondContact O-N 2.85Å; I27-R30 PolarHBondContact O-N 3.42Å; I27-A31 WeakPolarHBondContact O-CB 3.36Å; I27-A31 PolarHBondContact O-N 3.23Å
28L98.1Very high97.2Very high87 Ų8764.4 Ų64.446%0.45539%0.386SS..Hα-helixtrans-62.3-44.5175.5-64.1176.5000111.9S24 L25 S26 R30 A31 E32 I49S24-L28 PolarHBondContact O-N 2.94Å; L25-L28 HydrophobicContact CD2-CD1 4.45Å; L25-L28 WeakPolarHBondContact O-CB 3.27Å; L25-L28 PolarHBondContact O-N 3.47Å; S26-L28 VanDerWaalsContact C-N 3.33Å; S26-L28 PolarHBondContact O-N 3.44Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 3.35Å; L28-A31 PolarHBondContact O-N 2.97Å; L28-E32 PolarHBondContact O-N 3.45Å; L28-I49 HydrophobicContact CB-CG2 4.42Å; L28-I49 HydrophobicContact CD1-CD1 4.34Å
29I98.4Very high97Very high16 Ų1669.5 Ų69.58%0.08241%0.412CS..Hα-helixtrans-57.9-46.3175.3-64.7162.9000110.3L25 S26 E32 L33 Y46 I49 V50 H53L25-I29 WeakPolarHBondContact O-CG1 3.43Å; L25-I29 PolarHBondContact O-N 3.01Å; S26-I29 PolarHBondContact O-N 2.87Å; I29-E32 PolarHBondContact O-N 2.94Å; I29-L33 HydrophobicContact CG2-CD1 4.14Å; I29-L33 WeakPolarHBondContact O-CG 3.49Å; I29-L33 PolarHBondContact O-N 3.37Å; I29-L33 VanDerWaalsContact O-N 3.11Å; I29-Y46 HydrophobicContact CB-CE2 4.44Å; I29-Y46 HydrophobicContact CG2-CE2 3.95Å; I29-I49 HydrophobicContact CD1-CG2 4.07Å; I29-I49 HydrophobicContact CG1-CG2 3.66Å; I29-V50 HydrophobicContact CD1-CB 4.35Å; I29-V50 HydrophobicContact CD1-CG2 3.81Å; I29-V50 HydrophobicContact CG1-CG2 3.88Å; I29-V50 HydrophobicContact CG2-CG2 4.34Å; I29-H53 HydrophobicContact CD1-CB 3.89Å
30R98.3Very high96.8Very high181 Ų18172 Ų7268%0.68342%0.424SS*.Hα-helixtrans-70.7-31-179.5-66.5-63.5-176.5-179-0.7113S26 I27 L28 G34S26-R30 VanDerWaalsContact O-CG 3.31Å; S26-R30 WeakPolarHBondContact O-CG 3.34Å; S26-R30 PolarHBondContact O-N 3.41Å; I27-R30 PolarHBondContact O-N 3.42Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 3.35Å; R30-G34 PolarHBondContact O-N 3.36Å; R30-G34 VanDerWaalsContact O-N 3.14Å
31A97.5Very high96.7Very high43 Ų4368.9 Ų68.936%0.35542%0.424SS..Hα-helixtrans-66.9-44.5173.600000111.2I27 L28 L33 G34 L39I27-A31 WeakPolarHBondContact O-CB 3.36Å; I27-A31 PolarHBondContact O-N 3.23Å; L28-A31 PolarHBondContact O-N 2.97Å; A31-L33 VanDerWaalsContact C-N 3.31Å; A31-L33 PolarHBondContact O-N 2.97Å; A31-G34 PolarHBondContact O-N 3.07Å; A31-L39 HydrophobicContact CB-CD2 4Å
32E97.4Very high96.6Very high22 Ų2270.9 Ų70.910%0.10343%0.434CS..Hα-helixtrans-58.1-44.4174.3-17462-149.400111.5L28 I29 G34 A38 L39 I40 Y46L28-E32 PolarHBondContact O-N 3.45Å; I29-E32 PolarHBondContact O-N 2.94Å; E32-G34 VanDerWaalsContact C-N 3.27Å; E32-G34 PolarHBondContact O-N 3.33Å; E32-A38 WeakPolarHBondContact OE1-CA 3.35Å; E32-L39 PolarHBondContact OE1-N 3.46Å; E32-L39 WeakPolarHBondContact OE2-CA 3.42Å; E32-L39 VanDerWaalsContact OE2-CB 3.24Å; E32-L39 WeakPolarHBondContact OE2-CB 3.3Å; E32-L39 PolarHBondContact OE2-N 3.27Å; E32-I40 HydrophobicContact CB-CD1 4.12Å; E32-I40 HydrophobicContact CG-CD1 4.17Å; E32-I40 WeakPolarHBondContact OE2-CB 3.34Å; E32-I40 WeakPolarHBondContact OE2-CD1 3.26Å; E32-I40 WeakPolarHBondContact OE2-CG1 3.31Å; E32-I40 PolarHBondContact OE2-N 2.84Å; E32-Y46 HydrophobicContact CB-CD2 4.1Å; E32-Y46 HydrophobicContact CB-CE2 4.16Å; E32-Y46 HydrophobicContact CG-CD2 3.82Å; E32-Y46 HydrophobicContact CG-CE2 4.11Å
33L97.7Very high96.5Very high101 Ų10177 Ų7753%0.52947%0.467SS..THydrogen-bonded Turntrans-83.45.3-178-62.5178.6000114.3I29 A31 H35 Y46I29-L33 HydrophobicContact CG2-CD1 4.14Å; I29-L33 WeakPolarHBondContact O-CG 3.49Å; I29-L33 PolarHBondContact O-N 3.37Å; I29-L33 VanDerWaalsContact O-N 3.11Å; A31-L33 VanDerWaalsContact C-N 3.31Å; A31-L33 PolarHBondContact O-N 2.97Å; L33-H35 VanDerWaalsContact C-N 3.33Å; L33-H35 PolarHBondContact O-N 2.75Å; L33-Y46 WeakPolarHBondContact CD1-OH 3.28Å; L33-Y46 HydrophobicContact CG-CE2 4.35Å
34G97.1Very high96.4Very high61 Ų6176.2 Ų76.263%0.62946%0.458SS*.THydrogen-bonded Turntrans-69.9-27.7-173.500000114.1R30 A31 E32R30-G34 PolarHBondContact O-N 3.36Å; R30-G34 VanDerWaalsContact O-N 3.14Å; A31-G34 PolarHBondContact O-N 3.07Å; E32-G34 VanDerWaalsContact C-N 3.27Å; E32-G34 PolarHBondContact O-N 3.33Å
35H94Very high96.4Very high113 Ų11377.3 Ų77.352%0.52346%0.459SS..SBendtrans-152.5156.8174.754.265.9000110L33L33-H35 VanDerWaalsContact C-N 3.33Å; L33-H35 PolarHBondContact O-N 2.75Å
36P94.1Very high96.4Very high131 Ų13178.6 Ų78.685%0.85146%0.462SS*.SBendtrans-56.9145.4170.6-22.333.4000111.8
37G91.9Very high96.4Very high63 Ų6380.1 Ų80.165%0.64947%0.468SS*.SBendtrans121-176.5-173.700000111.2
38A91.1Very high96.4Very high72 Ų7275.4 Ų75.460%0.59544%0.444SS*.  trans-118.9117.1177.300000109.5E32E32-A38 WeakPolarHBondContact OE1-CA 3.35Å
39L94.3Very high96.4Very high108 Ų10872.4 Ų72.457%0.56543%0.428SS*.SBendtrans-90.6-45.3175.317274.5000110.6A31 E32A31-L39 HydrophobicContact CB-CD2 4Å; E32-L39 PolarHBondContact OE1-N 3.46Å; E32-L39 WeakPolarHBondContact OE2-CA 3.42Å; E32-L39 VanDerWaalsContact OE2-CB 3.24Å; E32-L39 WeakPolarHBondContact OE2-CB 3.3Å; E32-L39 PolarHBondContact OE2-N 3.27Å
40I95.7Very high96.4Very high58 Ų5873.8 Ų73.830%0.29744%0.437SS..SBendtrans-73.8-39.4174.6-69.7163.5000110.3E32 D42 I45 Y46 I49E32-I40 HydrophobicContact CB-CD1 4.12Å; E32-I40 HydrophobicContact CG-CD1 4.17Å; E32-I40 WeakPolarHBondContact OE2-CB 3.34Å; E32-I40 WeakPolarHBondContact OE2-CD1 3.26Å; E32-I40 WeakPolarHBondContact OE2-CG1 3.31Å; E32-I40 PolarHBondContact OE2-N 2.84Å; I40-D42 VanDerWaalsContact C-N 3.27Å; I40-D42 HydrophobicContact CG2-CB 4.29Å; I40-D42 PolarHBondContact O-N 3.23Å; I40-I45 HydrophobicContact CG2-CB 4.01Å; I40-I45 HydrophobicContact CG2-CG2 3.87Å; I40-Y46 HydrophobicContact CD1-CD2 4.33Å; I40-I49 HydrophobicContact CD1-CD1 4.16Å
41G95.6Very high96.4Very high61 Ų6165.3 Ų65.363%0.62941%0.406SS*.  trans77.77.2-179.300000115.1
42D96.2Very high96.5Very high73 Ų7363.6 Ų63.639%0.3939%0.391SS..  trans-145.1112178.7-173-35.4000110.6I40 Q44 I45 Y46I40-D42 VanDerWaalsContact C-N 3.27Å; I40-D42 HydrophobicContact CG2-CB 4.29Å; I40-D42 PolarHBondContact O-N 3.23Å; D42-Q44 VanDerWaalsContact C-N 3.3Å; D42-Q44 PolarHBondContact O-N 2.83Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.34Å; D42-Q44 VanDerWaalsContact OD1-CB 3.32Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.21Å; D42-Q44 PolarHBondContact OD1-N 3.29Å; D42-I45 HydrophobicContact CB-CB 4.15Å; D42-I45 HydrophobicContact CB-CD1 3.9Å; D42-I45 HydrophobicContact CB-CG1 4.01Å; D42-I45 PolarHBondContact O-N 3.24Å; D42-I45 PolarHBondContact OD1-N 3.17Å; D42-I45 VanDerWaalsContact OD1-N 3.17Å; D42-Y46 PolarHBondContact O-N 2.88Å
43D96.1Very high96.6Very high129 Ų12964.4 Ų64.469%0.6940%0.395SS*.Hα-helixtrans-66.5-30.1-178.4-65.3-18000112.7Y46 N47D43-Y46 WeakPolarHBondContact O-CB 3.34Å; D43-Y46 PolarHBondContact O-N 2.94Å; D43-N47 VanDerWaalsContact O-CG 3.27Å; D43-N47 PolarHBondContact O-N 3.36Å; D43-N47 PolarHBondContact O-ND2 3.1Å; D43-N47 VanDerWaalsContact O-ND2 3.17Å
44Q97.8Very high96.6Very high50 Ų5060.5 Ų60.523%0.23438%0.377CS..Hα-helixtrans-70.3-43.4178.2176.563.39.400110.4D42 Y46 N47 V48 N112 H130D42-Q44 VanDerWaalsContact C-N 3.3Å; D42-Q44 PolarHBondContact O-N 2.83Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.34Å; D42-Q44 VanDerWaalsContact OD1-CB 3.32Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.21Å; D42-Q44 PolarHBondContact OD1-N 3.29Å; Q44-Y46 VanDerWaalsContact C-N 3.26Å; Q44-Y46 PolarHBondContact O-N 2.84Å; Q44-N47 PolarHBondContact O-N 3.19Å; Q44-N47 VanDerWaalsContact O-N 3.13Å; Q44-V48 VanDerWaalsContact O-CG2 3.29Å; Q44-V48 WeakPolarHBondContact O-CG2 3.22Å; Q44-V48 PolarHBondContact O-N 2.92Å; Q44-N112 HydrophobicContact CG-CB 4.25Å; Q44-N112 WeakPolarHBondContact CG-O 3.37Å; Q44-N112 PolarHBondContact NE2-O 3.35Å; Q44-H130 PolarHBondContact NE2-NE2 3.2Å
45I98Very high96.7Very high83 Ų8357.8 Ų57.843%0.42635%0.348SS..Hα-helixtrans-58.9-42.7174.5-67179.2000110.1I40 D42 N47 V48 I49I40-I45 HydrophobicContact CG2-CB 4.01Å; I40-I45 HydrophobicContact CG2-CG2 3.87Å; D42-I45 HydrophobicContact CB-CB 4.15Å; D42-I45 HydrophobicContact CB-CD1 3.9Å; D42-I45 HydrophobicContact CB-CG1 4.01Å; D42-I45 PolarHBondContact O-N 3.24Å; D42-I45 PolarHBondContact OD1-N 3.17Å; D42-I45 VanDerWaalsContact OD1-N 3.17Å; I45-N47 PolarHBondContact O-N 3.37Å; I45-V48 PolarHBondContact O-N 3.26Å; I45-I49 HydrophobicContact CG2-CD1 3.9Å; I45-I49 HydrophobicContact CG2-CG1 4.45Å; I45-I49 VanDerWaalsContact O-CG1 3.29Å; I45-I49 WeakPolarHBondContact O-CG1 3.36Å; I45-I49 PolarHBondContact O-N 2.85Å
46Y98.1Very high96.9Very high54 Ų5452.4 Ų52.421%0.21232%0.323CS..Hα-helixtrans-57.4-48.1174.1175-94.1000111.9I29 E32 L33 I40 D42 D43 Q44 V48 I49 V50I29-Y46 HydrophobicContact CB-CE2 4.44Å; I29-Y46 HydrophobicContact CG2-CE2 3.95Å; E32-Y46 HydrophobicContact CB-CD2 4.1Å; E32-Y46 HydrophobicContact CB-CE2 4.16Å; E32-Y46 HydrophobicContact CG-CD2 3.82Å; E32-Y46 HydrophobicContact CG-CE2 4.11Å; L33-Y46 WeakPolarHBondContact CD1-OH 3.28Å; L33-Y46 HydrophobicContact CG-CE2 4.35Å; I40-Y46 HydrophobicContact CD1-CD2 4.33Å; D42-Y46 PolarHBondContact O-N 2.88Å; D43-Y46 WeakPolarHBondContact O-CB 3.34Å; D43-Y46 PolarHBondContact O-N 2.94Å; Q44-Y46 VanDerWaalsContact C-N 3.26Å; Q44-Y46 PolarHBondContact O-N 2.84Å; Y46-V48 VanDerWaalsContact C-N 3.33Å; Y46-V48 PolarHBondContact O-N 3.14Å; Y46-I49 PolarHBondContact O-N 2.77Å; Y46-V50 HydrophobicContact CD1-CG2 4.13Å; Y46-V50 HydrophobicContact CE1-CG2 3.68Å; Y46-V50 HydrophobicContact CE2-CG2 4.14Å; Y46-V50 WeakPolarHBondContact O-CG2 3.07Å; Y46-V50 PolarHBondContact O-N 3.03Å
47N98.4Very high97.1Very high65 Ų6548.1 Ų48.135%0.34829%0.293SS..Hα-helixtrans-62.9-36.7178.4-69.8-32.6000113D43 Q44 I45 V50 T51D43-N47 VanDerWaalsContact O-CG 3.27Å; D43-N47 PolarHBondContact O-N 3.36Å; D43-N47 PolarHBondContact O-ND2 3.1Å; D43-N47 VanDerWaalsContact O-ND2 3.17Å; Q44-N47 PolarHBondContact O-N 3.19Å; Q44-N47 VanDerWaalsContact O-N 3.13Å; I45-N47 PolarHBondContact O-N 3.37Å; N47-V50 PolarHBondContact O-N 3.17Å; N47-T51 WeakPolarHBondContact O-CB 3.42Å; N47-T51 PolarHBondContact O-N 3.42Å; N47-T51 PolarHBondContact O-OG1 3.01Å
48V98.7Very high97.4Very high12 Ų1247.5 Ų47.57%0.07327%0.274CS..Hα-helixtrans-64.2-44.9174.9172.50000110.7Q44 I45 Y46 T51 A52 N112Q44-V48 VanDerWaalsContact O-CG2 3.29Å; Q44-V48 WeakPolarHBondContact O-CG2 3.22Å; Q44-V48 PolarHBondContact O-N 2.92Å; I45-V48 PolarHBondContact O-N 3.26Å; Y46-V48 VanDerWaalsContact C-N 3.33Å; Y46-V48 PolarHBondContact O-N 3.14Å; V48-T51 PolarHBondContact O-N 3.34Å; V48-A52 WeakPolarHBondContact O-CB 3.46Å; V48-A52 PolarHBondContact O-N 2.89Å; V48-N112 WeakPolarHBondContact CG2-O 3.16Å
49I98.6Very high97.7Very high24 Ų2444.4 Ų44.412%0.12325%0.247CC..Hα-helixtrans-61.7-46176.6-67.6168.9000110.6L25 L28 I29 I40 I45 Y46 T51 A52 H53L25-I49 HydrophobicContact CB-CG2 3.96Å; L25-I49 HydrophobicContact CD2-CG2 4.08Å; L28-I49 HydrophobicContact CB-CG2 4.42Å; L28-I49 HydrophobicContact CD1-CD1 4.34Å; I29-I49 HydrophobicContact CD1-CG2 4.07Å; I29-I49 HydrophobicContact CG1-CG2 3.66Å; I40-I49 HydrophobicContact CD1-CD1 4.16Å; I45-I49 HydrophobicContact CG2-CD1 3.9Å; I45-I49 HydrophobicContact CG2-CG1 4.45Å; I45-I49 VanDerWaalsContact O-CG1 3.29Å; I45-I49 WeakPolarHBondContact O-CG1 3.36Å; I45-I49 PolarHBondContact O-N 2.85Å; Y46-I49 PolarHBondContact O-N 2.77Å; I49-T51 VanDerWaalsContact C-N 3.35Å; I49-T51 PolarHBondContact O-N 3.19Å; I49-A52 PolarHBondContact O-N 3.44Å; I49-H53 VanDerWaalsContact O-CB 3.25Å; I49-H53 WeakPolarHBondContact O-CB 3.22Å; I49-H53 PolarHBondContact O-N 2.69Å
50V98.7Very high97.9Very high46 Ų4639.2 Ų39.228%0.27922%0.22SC..Hα-helixtrans-59.9-45.3177.4171.20000111.3I29 Y46 N47 A54I29-V50 HydrophobicContact CD1-CB 4.35Å; I29-V50 HydrophobicContact CD1-CG2 3.81Å; I29-V50 HydrophobicContact CG1-CG2 3.88Å; I29-V50 HydrophobicContact CG2-CG2 4.34Å; Y46-V50 HydrophobicContact CD1-CG2 4.13Å; Y46-V50 HydrophobicContact CE1-CG2 3.68Å; Y46-V50 HydrophobicContact CE2-CG2 4.14Å; Y46-V50 WeakPolarHBondContact O-CG2 3.07Å; Y46-V50 PolarHBondContact O-N 3.03Å; N47-V50 PolarHBondContact O-N 3.17Å; V50-A54 PolarHBondContact O-N 3.16Å; V50-A54 VanDerWaalsContact O-N 3.12Å
51T98.5Very high98Very high3 Ų338.5 Ų38.52%0.01822%0.215CC..Hα-helixtrans-64.4-48.8-179.9-56.80000111.1N47 V48 I49 A54 F55 A114 G117N47-T51 WeakPolarHBondContact O-CB 3.42Å; N47-T51 PolarHBondContact O-N 3.42Å; N47-T51 PolarHBondContact O-OG1 3.01Å; V48-T51 PolarHBondContact O-N 3.34Å; I49-T51 VanDerWaalsContact C-N 3.35Å; I49-T51 PolarHBondContact O-N 3.19Å; T51-A54 PolarHBondContact O-N 3.24Å; T51-F55 HydrophobicContact CG2-CD2 3.79Å; T51-F55 HydrophobicContact CG2-CE2 3.46Å; T51-F55 VanDerWaalsContact CG2-CE2 3.46Å; T51-F55 HydrophobicContact CG2-CZ 4.48Å; T51-F55 VanDerWaalsContact O-CD2 3.3Å; T51-F55 WeakPolarHBondContact O-CD2 3.49Å; T51-F55 PolarHBondContact O-N 3.48Å; T51-F55 VanDerWaalsContact O-N 3.16Å; T51-A114 VanDerWaalsContact CB-O 3.27Å; T51-A114 WeakPolarHBondContact CB-O 2.95Å; T51-A114 VanDerWaalsContact CG2-O 3.31Å; T51-A114 WeakPolarHBondContact CG2-O 3.21Å; T51-A114 PolarHBondContact OG1-O 3.5Å; T51-G117 VanDerWaalsContact OG1-CA 3.27Å; T51-G117 WeakPolarHBondContact OG1-CA 3.36Å; T51-G117 PolarHBondContact OG1-N 3.43Å
52A98.7Very high98.2Very high6 Ų639 Ų395%0.0521%0.207CC..Hα-helixtrans-63.2-42.8178.200000112.1L25 V48 I49 A54 F55 I56L25-A52 HydrophobicContact CD1-CB 3.84Å; V48-A52 WeakPolarHBondContact O-CB 3.46Å; V48-A52 PolarHBondContact O-N 2.89Å; I49-A52 PolarHBondContact O-N 3.44Å; A52-A54 PolarHBondContact O-N 3.34Å; A52-F55 PolarHBondContact O-N 3.37Å; A52-I56 WeakPolarHBondContact O-CB 3.3Å; A52-I56 WeakPolarHBondContact O-CG1 3.16Å; A52-I56 PolarHBondContact O-N 2.94Å
53H98.8Very high98.2Very high39 Ų3936.4 Ų36.418%0.18119%0.192CC..Hα-helixtrans-54.4-53.4175.4169.966.2000111.3G22 L25 S26 I29 I49 F55 I56 M57G22-H53 PolarHBondContact O-CE1 3.37Å; G22-H53 PolarHBondContact O-ND1 2.88Å; L25-H53 HydrophobicContact CB-CB 3.94Å; L25-H53 HydrophobicContact CD1-CB 4.38Å; S26-H53 VanDerWaalsContact CB-CE1 3.42Å; S26-H53 WeakPolarHBondContact CB-CE1 3.24Å; I29-H53 HydrophobicContact CD1-CB 3.89Å; I49-H53 VanDerWaalsContact O-CB 3.25Å; I49-H53 WeakPolarHBondContact O-CB 3.22Å; I49-H53 PolarHBondContact O-N 2.69Å; H53-F55 PolarHBondContact O-N 3.44Å; H53-I56 PolarHBondContact O-N 3.1Å; H53-M57 WeakPolarHBondContact CE1-CG 3.26Å; H53-M57 VanDerWaalsContact O-CG 3.24Å; H53-M57 WeakPolarHBondContact O-CG 3.29Å; H53-M57 PolarHBondContact O-N 3.33Å
54A98.5Very high98.3Very high20 Ų2030.4 Ų30.417%0.16516%0.16CC..Hα-helixtrans-59.4-47.4-177.900000112V50 T51 A52 I56 M57 I58 W118V50-A54 PolarHBondContact O-N 3.16Å; V50-A54 VanDerWaalsContact O-N 3.12Å; T51-A54 PolarHBondContact O-N 3.24Å; A52-A54 PolarHBondContact O-N 3.34Å; A54-I56 PolarHBondContact O-N 2.9Å; A54-M57 PolarHBondContact O-N 2.87Å; A54-I58 WeakPolarHBondContact O-CG1 2.97Å; A54-I58 PolarHBondContact O-N 2.76Å; A54-I58 VanDerWaalsContact O-N 3.13Å; A54-W118 HydrophobicContact CB-CB 3.55Å; A54-W118 HydrophobicContact CB-CG 4.14Å
55F98.5Very high98.4Very high4 Ų429.9 Ų29.92%0.01816%0.159CC..Hα-helixtrans-63.5-43.2178.1-73.3-46.2000112.8T51 A52 H53 M57 F59 F60 L104 W118 V120 L142T51-F55 HydrophobicContact CG2-CD2 3.79Å; T51-F55 HydrophobicContact CG2-CE2 3.46Å; T51-F55 VanDerWaalsContact CG2-CE2 3.46Å; T51-F55 HydrophobicContact CG2-CZ 4.48Å; T51-F55 VanDerWaalsContact O-CD2 3.3Å; T51-F55 WeakPolarHBondContact O-CD2 3.49Å; T51-F55 PolarHBondContact O-N 3.48Å; T51-F55 VanDerWaalsContact O-N 3.16Å; A52-F55 PolarHBondContact O-N 3.37Å; H53-F55 PolarHBondContact O-N 3.44Å; F55-M57 PolarHBondContact O-N 3.49Å; F55-F59 AromaticContact CD1-CD2 3.85Å; F55-F59 HydrophobicContact CD1-CD2 3.85Å; F55-F59 AromaticContact CD1-CE2 3.79Å; F55-F59 HydrophobicContact CD1-CE2 3.79Å; F55-F59 HydrophobicContact CE1-CE2 4.22Å; F55-F59 WeakPolarHBondContact O-CB 3.22Å; F55-F59 PolarHBondContact O-N 2.9Å; F55-F60 WeakPolarHBondContact O-CD2 3.24Å; F55-L104 HydrophobicContact CB-CD1 4.21Å; F55-L104 HydrophobicContact CB-CD2 3.66Å; F55-L104 HydrophobicContact CD2-CD1 3.86Å; F55-L104 HydrophobicContact CG-CD1 4.4Å; F55-W118 HydrophobicContact CD1-CB 4.48Å; F55-W118 HydrophobicContact CE1-CB 4.15Å; F55-W118 WeakPolarHBondContact CE1-O 3.33Å; F55-W118 HydrophobicContact CZ-CB 4.29Å; F55-W118 WeakPolarHBondContact CZ-O 3.25Å; F55-V120 HydrophobicContact CE2-CG2 4.21Å; F55-V120 HydrophobicContact CZ-CG2 3.59Å; F55-L142 HydrophobicContact CD1-CD1 4.46Å; F55-L142 HydrophobicContact CD1-CD2 3.69Å; F55-L142 HydrophobicContact CE1-CD1 3.74Å; F55-L142 HydrophobicContact CE1-CD2 3.79Å; F55-L142 HydrophobicContact CE1-CG 4.32Å; F55-L142 HydrophobicContact CG-CD2 4.31Å; F55-L142 HydrophobicContact CZ-CD1 3.77Å; F55-L142 HydrophobicContact CZ-CD2 4.45Å
56I98.8Very high98.4Very high0 Ų030.4 Ų30.40%016%0.16CC..Iπ-helixtrans-61.2-46.8178.4-69.7171.9000110.8A18 V21 L25 A52 H53 A54 I58 F60 M61 L101 L104 L105A18-I56 HydrophobicContact CB-CG2 4.39Å; A18-I56 WeakPolarHBondContact O-CG2 3.36Å; V21-I56 HydrophobicContact CG1-CD1 3.95Å; L25-I56 HydrophobicContact CD1-CD1 3.85Å; A52-I56 WeakPolarHBondContact O-CB 3.3Å; A52-I56 WeakPolarHBondContact O-CG1 3.16Å; A52-I56 PolarHBondContact O-N 2.94Å; H53-I56 PolarHBondContact O-N 3.1Å; A54-I56 PolarHBondContact O-N 2.9Å; I56-I58 PolarHBondContact O-N 2.87Å; I56-F60 HydrophobicContact CG2-CB 4.46Å; I56-F60 CarbonylContact O-C 3.37Å; I56-F60 WeakPolarHBondContact O-CA 3.49Å; I56-F60 WeakPolarHBondContact O-CB 3.33Å; I56-F60 PolarHBondContact O-N 2.92Å; I56-M61 PolarHBondContact O-N 3.44Å; I56-L101 HydrophobicContact CD1-CD1 4.22Å; I56-L101 HydrophobicContact CG1-CD1 3.84Å; I56-L104 HydrophobicContact CD1-CD2 4.47Å; I56-L104 HydrophobicContact CG1-CD2 3.69Å; I56-L105 HydrophobicContact CD1-CD2 4.11Å
57M98.6Very high98.3Very high41 Ų4129.2 Ų29.220%0.20216%0.157CC..Iπ-helixtrans-65.3-41.5-176.8-65.5-56.3-75.400112.2H53 A54 F55 M61 V62H53-M57 WeakPolarHBondContact CE1-CG 3.26Å; H53-M57 VanDerWaalsContact O-CG 3.24Å; H53-M57 WeakPolarHBondContact O-CG 3.29Å; H53-M57 PolarHBondContact O-N 3.33Å; A54-M57 PolarHBondContact O-N 2.87Å; F55-M57 PolarHBondContact O-N 3.49Å; M57-M61 HydrophobicContact CE-CE 3.39Å; M57-M61 HydrophobicContact CE-SD 3.57Å; M57-M61 VanDerWaalsContact CE-SD 3.57Å; M57-M61 WeakPolarHBondContact O-CB 3.49Å; M57-M61 HydrophobicContact SD-CE 4.3Å; M57-M61 HydrophobicContact SD-SD 4.01Å; M57-V62 WeakPolarHBondContact O-CG2 3.29Å; M57-V62 PolarHBondContact O-N 2.72Å
58I97.4Very high98.3Very high49 Ų4926.4 Ų26.425%0.25114%0.144SC..Iπ-helixtrans-79-61.7-178.2-62.6172.2000110.7A54 I56 M63 W118A54-I58 WeakPolarHBondContact O-CG1 2.97Å; A54-I58 PolarHBondContact O-N 2.76Å; A54-I58 VanDerWaalsContact O-N 3.13Å; I56-I58 PolarHBondContact O-N 2.87Å; I58-M63 HydrophobicContact CG2-CE 4.07Å; I58-M63 PolarHBondContact O-N 3.14Å; I58-M63 VanDerWaalsContact O-N 3.1Å; I58-W118 HydrophobicContact CD1-CE3 4.26Å; I58-W118 HydrophobicContact CD1-CZ3 4.25Å
59F97.9Very high98.2Very high7 Ų725.8 Ų25.83%0.03114%0.14CC..Iπ-helixtrans-83.3-21.3-168.2-64.3-88.9000114.3F55 M63 P64 L142 A145 F230F55-F59 AromaticContact CD1-CD2 3.85Å; F55-F59 HydrophobicContact CD1-CD2 3.85Å; F55-F59 AromaticContact CD1-CE2 3.79Å; F55-F59 HydrophobicContact CD1-CE2 3.79Å; F55-F59 HydrophobicContact CE1-CE2 4.22Å; F55-F59 WeakPolarHBondContact O-CB 3.22Å; F55-F59 PolarHBondContact O-N 2.9Å; F59-M63 HydrophobicContact CB-CE 4.05Å; F59-M63 HydrophobicContact CD1-CE 3.06Å; F59-M63 HydrophobicContact CE1-CE 3.49Å; F59-M63 VanDerWaalsContact CE1-CE 3.49Å; F59-M63 HydrophobicContact CG-CE 3.66Å; F59-M63 HydrophobicContact CZ-CE 4.4Å; F59-P64 VanDerWaalsContact O-CD 3.29Å; F59-P64 WeakPolarHBondContact O-CD 3.34Å; F59-P64 WeakPolarHBondContact O-CG 3.22Å; F59-L142 HydrophobicContact CD1-CD2 4.49Å; F59-L142 HydrophobicContact CD2-CD2 4.01Å; F59-L142 HydrophobicContact CE2-CD2 4.05Å; F59-L142 HydrophobicContact CG-CD2 4.26Å; F59-L142 HydrophobicContact CZ-CD2 4.35Å; F59-A145 HydrophobicContact CB-CB 4.42Å; F59-F230 HydrophobicContact CE1-CZ 4.02Å; F59-F230 HydrophobicContact CZ-CE1 4.16Å; F59-F230 AromaticContact CZ-CZ 3.86Å; F59-F230 HydrophobicContact CZ-CZ 3.86Å
60F98.6Very high98.3Very high0 Ų028.5 Ų28.50%015%0.151CC..Iπ-helixtrans-116.5-14.7-174.4-61-83.1000114.1G15 A18 F55 I56 P64 A100 L101 L104 S141 A145G15-F60 WeakPolarHBondContact CA-O 3.37Å; A18-F60 HydrophobicContact CB-CB 3.88Å; A18-F60 WeakPolarHBondContact CB-O 3.49Å; F55-F60 WeakPolarHBondContact O-CD2 3.24Å; I56-F60 HydrophobicContact CG2-CB 4.46Å; I56-F60 CarbonylContact O-C 3.37Å; I56-F60 WeakPolarHBondContact O-CA 3.49Å; I56-F60 WeakPolarHBondContact O-CB 3.33Å; I56-F60 PolarHBondContact O-N 2.92Å; F60-P64 WeakPolarHBondContact O-CG 3.11Å; F60-A100 HydrophobicContact CE1-CB 3.67Å; F60-A100 HydrophobicContact CZ-CB 3.82Å; F60-L101 HydrophobicContact CB-CD1 4.43Å; F60-L101 HydrophobicContact CD1-CB 3.7Å; F60-L101 HydrophobicContact CD1-CD1 4.16Å; F60-L101 HydrophobicContact CD1-CD2 4.43Å; F60-L101 HydrophobicContact CD1-CG 4.31Å; F60-L101 HydrophobicContact CD2-CD1 4.14Å; F60-L101 HydrophobicContact CE1-CB 3.65Å; F60-L101 HydrophobicContact CE1-CD1 4.48Å; F60-L101 VanDerWaalsContact CE1-N 3.3Å; F60-L101 HydrophobicContact CE2-CD1 4.46Å; F60-L101 HydrophobicContact CG-CB 4.38Å; F60-L101 HydrophobicContact CG-CD1 3.97Å; F60-L101 HydrophobicContact CZ-CB 4.3Å; F60-L104 HydrophobicContact CD2-CD2 4.14Å; F60-L104 HydrophobicContact CE2-CD2 3.79Å; F60-S141 WeakPolarHBondContact CZ-OG 3.4Å; F60-A145 HydrophobicContact CZ-CB 4.16Å
61M98.5Very high98.2Very high42 Ų4226.3 Ų26.321%0.20714%0.138CC..Iπ-helixtrans-112.8-69.2173.7-174.2-164.578.900112.2G19 I56 M57 I65G19-M61 VanDerWaalsContact CA-SD 3.59Å; I56-M61 PolarHBondContact O-N 3.44Å; M57-M61 HydrophobicContact CE-CE 3.39Å; M57-M61 HydrophobicContact CE-SD 3.57Å; M57-M61 VanDerWaalsContact CE-SD 3.57Å; M57-M61 WeakPolarHBondContact O-CB 3.49Å; M57-M61 HydrophobicContact SD-CE 4.3Å; M57-M61 HydrophobicContact SD-SD 4.01Å; M61-I65 HydrophobicContact CG-CD1 3.76Å; M61-I65 WeakPolarHBondContact O-CB 3.5Å; M61-I65 VanDerWaalsContact O-CG1 3.24Å; M61-I65 WeakPolarHBondContact O-CG1 3.28Å; M61-I65 PolarHBondContact O-N 2.71Å
62V98.3Very high98.3Very high73 Ų7326.2 Ų26.244%0.44214%0.137SC..Iπ-helixtrans-60.5-56-171.3172.40000111.4M57 I65 M66M57-V62 WeakPolarHBondContact O-CG2 3.29Å; M57-V62 PolarHBondContact O-N 2.72Å; V62-I65 PolarHBondContact O-N 3.19Å; V62-M66 HydrophobicContact CG1-CG 4.26Å; V62-M66 VanDerWaalsContact O-CB 3.31Å; V62-M66 WeakPolarHBondContact O-CB 3.49Å; V62-M66 WeakPolarHBondContact O-CG 3.42Å; V62-M66 PolarHBondContact O-N 3.22Å
63M97.2Very high98.2Very high17 Ų1730.2 Ų30.28%0.08415%0.151CC..Hα-helixtrans-60.3-50-179.6-90.2-165.4-81.400112.7I58 F59 I65 I67 G68 L187 E234I58-M63 HydrophobicContact CG2-CE 4.07Å; I58-M63 PolarHBondContact O-N 3.14Å; I58-M63 VanDerWaalsContact O-N 3.1Å; F59-M63 HydrophobicContact CB-CE 4.05Å; F59-M63 HydrophobicContact CD1-CE 3.06Å; F59-M63 HydrophobicContact CE1-CE 3.49Å; F59-M63 VanDerWaalsContact CE1-CE 3.49Å; F59-M63 HydrophobicContact CG-CE 3.66Å; F59-M63 HydrophobicContact CZ-CE 4.4Å; M63-I65 VanDerWaalsContact C-N 3.35Å; M63-I65 PolarHBondContact O-N 2.83Å; M63-I67 WeakPolarHBondContact O-CB 3.37Å; M63-I67 PolarHBondContact O-N 3.22Å; M63-G68 PolarHBondContact O-N 3.25Å; M63-G68 VanDerWaalsContact O-N 3.16Å; M63-L187 HydrophobicContact SD-CD2 4.32Å; M63-E234 WeakPolarHBondContact CE-OE1 3.45Å
64P98.1Very high98.2Very high4 Ų430.7 Ų30.73%0.02616%0.155CC..Iπ-helixtrans-59-38.7176.2-33.442.4000114.3Y11 F59 F60 G68 G69 L97Y11-P64 HydrophobicContact CD1-CB 3.99Å; F59-P64 VanDerWaalsContact O-CD 3.29Å; F59-P64 WeakPolarHBondContact O-CD 3.34Å; F59-P64 WeakPolarHBondContact O-CG 3.22Å; F60-P64 WeakPolarHBondContact O-CG 3.11Å; P64-G68 CarbonylContact O-C 3.3Å; P64-G68 VanDerWaalsContact O-C 3.3Å; P64-G68 WeakPolarHBondContact O-CA 3.48Å; P64-G68 PolarHBondContact O-N 3.49Å; P64-G69 PolarHBondContact O-N 3.29Å; P64-L97 HydrophobicContact CB-CD1 4.02Å; P64-L97 HydrophobicContact CG-CD1 3.7Å
65I98.6Very high98.2Very high39 Ų3929.7 Ų29.720%0.215%0.147CC..Iπ-helixtrans-74.2-50.6179.7-69174.4000110.9F12 M61 V62 M63 G69 F70F12-I65 HydrophobicContact CD1-CG2 4.1Å; F12-I65 HydrophobicContact CE1-CG2 4.07Å; M61-I65 HydrophobicContact CG-CD1 3.76Å; M61-I65 WeakPolarHBondContact O-CB 3.5Å; M61-I65 VanDerWaalsContact O-CG1 3.24Å; M61-I65 WeakPolarHBondContact O-CG1 3.28Å; M61-I65 PolarHBondContact O-N 2.71Å; V62-I65 PolarHBondContact O-N 3.19Å; M63-I65 VanDerWaalsContact C-N 3.35Å; M63-I65 PolarHBondContact O-N 2.83Å; I65-G69 WeakPolarHBondContact O-CA 3.49Å; I65-G69 PolarHBondContact O-N 3.41Å; I65-F70 HydrophobicContact CG2-CD2 4.28Å; I65-F70 HydrophobicContact CG2-CE2 4.07Å; I65-F70 WeakPolarHBondContact O-CD2 3.32Å; I65-F70 PolarHBondContact O-N 2.94Å
66M97.8Very high98.2Very high93 Ų9329.5 Ų29.546%0.45815%0.146SC..Iπ-helixtrans-75.7-48.9-170.5-64.4-56.8-66.600112.2V62 F70 G71V62-M66 HydrophobicContact CG1-CG 4.26Å; V62-M66 VanDerWaalsContact O-CB 3.31Å; V62-M66 WeakPolarHBondContact O-CB 3.49Å; V62-M66 WeakPolarHBondContact O-CG 3.42Å; V62-M66 PolarHBondContact O-N 3.22Å; M66-F70 HydrophobicContact SD-CD2 4.07Å; M66-F70 HydrophobicContact SD-CE2 4.25Å; M66-G71 PolarHBondContact O-N 3.42Å
67I97.1Very high98.2Very high29 Ų2933.5 Ų33.515%0.14917%0.167CC..Iπ-helixtrans-92.8-46.1-177.3-55.9-56.3000110.3M63 G71 F156 T183M63-I67 WeakPolarHBondContact O-CB 3.37Å; M63-I67 PolarHBondContact O-N 3.22Å; I67-G71 VanDerWaalsContact O-CA 3.26Å; I67-G71 WeakPolarHBondContact O-CA 3.34Å; I67-G71 PolarHBondContact O-N 2.99Å; I67-F156 HydrophobicContact CG2-CD2 4.22Å; I67-F156 HydrophobicContact CG2-CE2 3.76Å; I67-F156 WeakPolarHBondContact O-CE2 3.22Å; I67-F156 VanDerWaalsContact O-CZ 3.28Å; I67-F156 WeakPolarHBondContact O-CZ 3.44Å; I67-T183 HydrophobicContact CD1-CG2 3.66Å; I67-T183 HydrophobicContact CG1-CG2 4.08Å
68G97.5Very high98.2Very high6 Ų634.8 Ų34.86%0.06217%0.173CC..Iπ-helixtrans-67.6-55.1178.100000113.2Y11 M63 P64 N72Y11-G68 WeakPolarHBondContact CD2-O 3.35Å; Y11-G68 VanDerWaalsContact CG-C 3.49Å; M63-G68 PolarHBondContact O-N 3.25Å; M63-G68 VanDerWaalsContact O-N 3.16Å; P64-G68 CarbonylContact O-C 3.3Å; P64-G68 VanDerWaalsContact O-C 3.3Å; P64-G68 WeakPolarHBondContact O-CA 3.48Å; P64-G68 PolarHBondContact O-N 3.49Å; G68-N72 WeakPolarHBondContact O-CB 3.43Å; G68-N72 PolarHBondContact O-N 3.42Å; G68-N72 PolarHBondContact O-ND2 3.31Å
69G98.5Very high98.2Very high0 Ų032.5 Ų32.50%016%0.161CC..Iπ-helixtrans-75.2-69-173.600000112P64 I65 G71 N72 W73P64-G69 PolarHBondContact O-N 3.29Å; I65-G69 WeakPolarHBondContact O-CA 3.49Å; I65-G69 PolarHBondContact O-N 3.41Å; G69-G71 PolarHBondContact O-N 3.1Å; G69-N72 PolarHBondContact O-N 2.85Å; G69-W73 VanDerWaalsContact O-CB 3.28Å; G69-W73 WeakPolarHBondContact O-CB 3.31Å; G69-W73 PolarHBondContact O-N 2.76Å
70F98.7Very high98.2Very high81 Ų8134.6 Ų34.636%0.35519%0.185SC..Iπ-helixtrans-63.9-41.1-178.1-74.3-66.5000112.2F12 I65 M66 W73 L74 F176F12-F70 HydrophobicContact CE1-CD1 4.08Å; F12-F70 AromaticContact CE1-CD2 3.7Å; F12-F70 HydrophobicContact CE1-CD2 3.7Å; F12-F70 HydrophobicContact CE1-CE1 4.11Å; F12-F70 AromaticContact CE1-CE2 3.75Å; F12-F70 HydrophobicContact CE1-CE2 3.75Å; F12-F70 AromaticContact CE1-CG 3.86Å; F12-F70 HydrophobicContact CE1-CG 3.86Å; F12-F70 AromaticContact CE1-CZ 3.95Å; F12-F70 HydrophobicContact CE1-CZ 3.95Å; F12-F70 HydrophobicContact CZ-CB 4.25Å; F12-F70 AromaticContact CZ-CD1 3.56Å; F12-F70 HydrophobicContact CZ-CD1 3.56Å; F12-F70 HydrophobicContact CZ-CD2 4Å; F12-F70 AromaticContact CZ-CE1 3.8Å; F12-F70 HydrophobicContact CZ-CE1 3.8Å; F12-F70 HydrophobicContact CZ-CE2 4.23Å; F12-F70 AromaticContact CZ-CG 3.66Å; F12-F70 HydrophobicContact CZ-CG 3.66Å; F12-F70 HydrophobicContact CZ-CZ 4.13Å; I65-F70 HydrophobicContact CG2-CD2 4.28Å; I65-F70 HydrophobicContact CG2-CE2 4.07Å; I65-F70 WeakPolarHBondContact O-CD2 3.32Å; I65-F70 PolarHBondContact O-N 2.94Å; M66-F70 HydrophobicContact SD-CD2 4.07Å; M66-F70 HydrophobicContact SD-CE2 4.25Å; F70-W73 PolarHBondContact O-N 3.46Å; F70-L74 HydrophobicContact CB-CD1 4.34Å; F70-L74 HydrophobicContact CD1-CD1 3.8Å; F70-L74 VanDerWaalsContact O-CB 3.29Å; F70-L74 WeakPolarHBondContact O-CB 3.24Å; F70-L74 PolarHBondContact O-N 3.15Å; F70-F176 HydrophobicContact CB-CE2 4.33Å; F70-F176 HydrophobicContact CB-CZ 3.75Å
71G98.6Very high98.1Very high0 Ų035 Ų350%019%0.188CC..Iπ-helixtrans-56.6-54.7176.800000111.8M66 I67 G69 W73 V75 F156M66-G71 PolarHBondContact O-N 3.42Å; I67-G71 VanDerWaalsContact O-CA 3.26Å; I67-G71 WeakPolarHBondContact O-CA 3.34Å; I67-G71 PolarHBondContact O-N 2.99Å; G69-G71 PolarHBondContact O-N 3.1Å; G71-W73 VanDerWaalsContact C-N 3.34Å; G71-W73 PolarHBondContact O-N 3.41Å; G71-V75 WeakPolarHBondContact O-CB 3.43Å; G71-V75 VanDerWaalsContact O-CG2 3.3Å; G71-V75 WeakPolarHBondContact O-CG2 3.24Å; G71-V75 PolarHBondContact O-N 3.4Å; G71-F156 WeakPolarHBondContact O-CE1 3.45Å
72N98.6Very high98.1Very high1 Ų138.3 Ų38.31%0.00521%0.213CC..Hα-helixtrans-65.4-37.1179.9-80.1-68.7000112.9H4 G68 G69 P76 N90H4-N72 PolarHBondContact ND1-O 3.4Å; G68-N72 WeakPolarHBondContact O-CB 3.43Å; G68-N72 PolarHBondContact O-N 3.42Å; G68-N72 PolarHBondContact O-ND2 3.31Å; G69-N72 PolarHBondContact O-N 2.85Å; N72-P76 WeakPolarHBondContact O-CD 3.29Å; N72-N90 PolarHBondContact ND2-OD1 2.85Å; N72-N90 PolarHBondContact OD1-ND2 3.36Å; N72-N90 PolarHBondContact OD1-OD1 3.16Å
73W98.2Very high98Very high90 Ų9036.3 Ų36.334%0.34120%0.2SC..Hα-helixtrans-71.2-46.1-177.7-164.8-86.3000112.4K5 T9 F12 G69 F70 G71 L77K5-W73 HydrophobicContact CB-CE3 3.87Å; K5-W73 HydrophobicContact CB-CH2 4.07Å; K5-W73 HydrophobicContact CB-CZ3 3.58Å; K5-W73 HydrophobicContact CG-CE3 4.43Å; K5-W73 HydrophobicContact CG-CZ3 4.43Å; K5-W73 WeakPolarHBondContact O-CZ3 3.42Å; T9-W73 WeakPolarHBondContact OG1-CZ3 3.37Å; F12-W73 HydrophobicContact CE2-CB 4.33Å; G69-W73 VanDerWaalsContact O-CB 3.28Å; G69-W73 WeakPolarHBondContact O-CB 3.31Å; G69-W73 PolarHBondContact O-N 2.76Å; F70-W73 PolarHBondContact O-N 3.46Å; G71-W73 VanDerWaalsContact C-N 3.34Å; G71-W73 PolarHBondContact O-N 3.41Å; W73-L77 VanDerWaalsContact O-CD1 3.27Å; W73-L77 WeakPolarHBondContact O-CD1 3.12Å; W73-L77 WeakPolarHBondContact O-CG 3.25Å
74L98.7Very high98.1Very high48 Ų4835.7 Ų35.725%0.25120%0.197SC..Hα-helixtrans-98.5-35-166.6-62.5174.6000113.9F70 L77 M78 F176F70-L74 HydrophobicContact CB-CD1 4.34Å; F70-L74 HydrophobicContact CD1-CD1 3.8Å; F70-L74 VanDerWaalsContact O-CB 3.29Å; F70-L74 WeakPolarHBondContact O-CB 3.24Å; F70-L74 PolarHBondContact O-N 3.15Å; L74-L77 PolarHBondContact O-N 3.02Å; L74-M78 HydrophobicContact CB-CE 4.08Å; L74-M78 HydrophobicContact CB-SD 4.32Å; L74-M78 HydrophobicContact CD1-CE 4.2Å; L74-M78 HydrophobicContact CD2-CE 4.45Å; L74-M78 HydrophobicContact CG-CE 4.49Å; L74-M78 WeakPolarHBondContact O-CB 3.4Å; L74-M78 WeakPolarHBondContact O-CG 3.17Å; L74-M78 PolarHBondContact O-N 2.83Å; L74-F176 HydrophobicContact CB-CD1 4.22Å; L74-F176 HydrophobicContact CB-CE1 3.79Å; L74-F176 HydrophobicContact CD1-CD1 4.45Å; L74-F176 HydrophobicContact CD1-CE1 4.07Å; L74-F176 HydrophobicContact CD1-CZ 4.32Å
75V98.6Very high98.1Very high0 Ų036.9 Ų36.90%021%0.207CC..Hα-helixtrans-60.2-50.5-172.61710000112.2G71 L77 M78 L79 F156 V160 F176 V177 V180G71-V75 WeakPolarHBondContact O-CB 3.43Å; G71-V75 VanDerWaalsContact O-CG2 3.3Å; G71-V75 WeakPolarHBondContact O-CG2 3.24Å; G71-V75 PolarHBondContact O-N 3.4Å; V75-L77 VanDerWaalsContact C-N 3.3Å; V75-L77 PolarHBondContact O-N 3.39Å; V75-M78 PolarHBondContact O-N 3.45Å; V75-L79 HydrophobicContact CG1-CD1 3.93Å; V75-L79 HydrophobicContact CG1-CG 4.5Å; V75-L79 WeakPolarHBondContact O-CB 3.25Å; V75-L79 WeakPolarHBondContact O-CG 3.44Å; V75-L79 PolarHBondContact O-N 2.9Å; V75-L79 VanDerWaalsContact O-N 3.11Å; V75-F156 HydrophobicContact CB-CD1 4.48Å; V75-F156 HydrophobicContact CB-CE1 4.38Å; V75-F156 HydrophobicContact CG1-CD1 4.46Å; V75-F156 HydrophobicContact CG2-CD1 4.4Å; V75-F156 HydrophobicContact CG2-CE1 4.31Å; V75-V160 HydrophobicContact CG1-CG2 3.77Å; V75-F176 HydrophobicContact CG2-CE1 4.05Å; V75-V177 HydrophobicContact CG1-CG1 4.34Å; V75-V180 HydrophobicContact CG2-CB 4.14Å; V75-V180 HydrophobicContact CG2-CG1 4.04Å; V75-V180 HydrophobicContact CG2-CG2 4.07Å
76P98.4Very high98.1Very high0 Ų039 Ų390%022%0.215CC..Hα-helixtrans-59.2-41.6176.9-27.438.3000112.6H4 N72 L79 G80 A81 M84H4-P76 HydrophobicContact CB-CG 4.31Å; N72-P76 WeakPolarHBondContact O-CD 3.29Å; P76-L79 PolarHBondContact O-N 3.46Å; P76-G80 PolarHBondContact O-N 3.49Å; P76-A81 HydrophobicContact CB-CB 4.2Å; P76-A81 PolarHBondContact O-N 3.39Å; P76-M84 HydrophobicContact CG-CG 4.11Å; P76-M84 HydrophobicContact CG-SD 3.42Å; P76-M84 WeakPolarHBondContact CG-SD 3.32Å
77L98.4Very high98.1Very high84 Ų8436.4 Ų36.444%0.4421%0.205SC..Hα-helixtrans-63.9-44.8-179.9-62.6-179.3000112.2W73 L74 V75 L79 G80W73-L77 VanDerWaalsContact O-CD1 3.27Å; W73-L77 WeakPolarHBondContact O-CD1 3.12Å; W73-L77 WeakPolarHBondContact O-CG 3.25Å; L74-L77 PolarHBondContact O-N 3.02Å; V75-L77 VanDerWaalsContact C-N 3.3Å; V75-L77 PolarHBondContact O-N 3.39Å; L77-L79 PolarHBondContact O-N 2.84Å; L77-G80 PolarHBondContact O-N 2.9Å
78M98.3Very high98.2Very high68 Ų6844.6 Ų44.634%0.33523%0.234SC..Hα-helixtrans-67.8-23.1179.4-75-176.1178.800113L74 V75 P174 F176 V177L74-M78 HydrophobicContact CB-CE 4.08Å; L74-M78 HydrophobicContact CB-SD 4.32Å; L74-M78 HydrophobicContact CD1-CE 4.2Å; L74-M78 HydrophobicContact CD2-CE 4.45Å; L74-M78 HydrophobicContact CG-CE 4.49Å; L74-M78 WeakPolarHBondContact O-CB 3.4Å; L74-M78 WeakPolarHBondContact O-CG 3.17Å; L74-M78 PolarHBondContact O-N 2.83Å; V75-M78 PolarHBondContact O-N 3.45Å; M78-P174 HydrophobicContact CB-CG 4.19Å; M78-P174 HydrophobicContact SD-CB 4.25Å; M78-F176 HydrophobicContact CE-CB 4.39Å; M78-F176 HydrophobicContact CE-CD1 4.15Å; M78-F176 HydrophobicContact CE-CG 4.5Å; M78-F176 HydrophobicContact SD-CB 4.08Å; M78-F176 HydrophobicContact SD-CD1 3.7Å; M78-F176 HydrophobicContact SD-CG 4.3Å; M78-V177 HydrophobicContact CB-CG2 3.71Å; M78-V177 HydrophobicContact SD-CG2 4.06Å
79L97.9Very high98.2Very high0 Ų047.1 Ų47.10%025%0.245CC..Hα-helixtrans-93.3-7.2175.4-68.5-177.9000113.9V75 P76 L77 A81 V160 R164 S165 M173 V177V75-L79 HydrophobicContact CG1-CD1 3.93Å; V75-L79 HydrophobicContact CG1-CG 4.5Å; V75-L79 WeakPolarHBondContact O-CB 3.25Å; V75-L79 WeakPolarHBondContact O-CG 3.44Å; V75-L79 PolarHBondContact O-N 2.9Å; V75-L79 VanDerWaalsContact O-N 3.11Å; P76-L79 PolarHBondContact O-N 3.46Å; L77-L79 PolarHBondContact O-N 2.84Å; L79-A81 HydrophobicContact CB-CB 4.43Å; L79-A81 PolarHBondContact O-N 3.43Å; L79-V160 HydrophobicContact CD1-CB 4.27Å; L79-V160 HydrophobicContact CD1-CG2 4Å; L79-R164 HydrophobicContact CD1-CG 4.28Å; L79-R164 HydrophobicContact CD2-CG 3.81Å; L79-R164 HydrophobicContact CG-CG 4.49Å; L79-S165 PolarHBondContact O-N 2.99Å; L79-S165 PolarHBondContact O-OG 3.5Å; L79-M173 HydrophobicContact CD2-CG 4.38Å; L79-M173 HydrophobicContact CD2-SD 4.34Å; L79-V177 HydrophobicContact CD1-CG1 4.25Å; L79-V177 HydrophobicContact CD2-CG1 3.97Å; L79-V177 HydrophobicContact CD2-CG2 4.39Å; L79-V177 HydrophobicContact CG-CG1 4.22Å; L79-V177 HydrophobicContact CG-CG2 4.43Å
80G97.3Very high98.2Very high52 Ų5247.1 Ų47.154%0.53625%0.245SC..THydrogen-bonded Turntrans67.421.1-170.400000113.6P76 L77P76-G80 PolarHBondContact O-N 3.49Å; L77-G80 PolarHBondContact O-N 2.9Å
81A97.7Very high98.2Very high8 Ų845 Ų457%0.06624%0.238CC..  trans-80.8143.6177.900000110.9P76 L79 M163P76-A81 HydrophobicContact CB-CB 4.2Å; P76-A81 PolarHBondContact O-N 3.39Å; L79-A81 HydrophobicContact CB-CB 4.43Å; L79-A81 PolarHBondContact O-N 3.43Å; A81-M163 HydrophobicContact CB-CB 3.95Å; A81-M163 WeakPolarHBondContact CB-O 3.36Å
82P96.8Very high98.2Very high112 Ų11249.9 Ų49.973%0.72726%0.262SS*.SBendtrans-70.6-29.917927.3-34.6000113.5M163P82-M163 HydrophobicContact CG-CE 4.28Å
83D97.6Very high98.2Very high30 Ų3049.9 Ų49.916%0.1626%0.261CS..SBendtrans-163.2-174.4177.9-150.4-28.5000109.1H4 M163H4-D83 VanDerWaalsContact CB-OD1 3.22Å; H4-D83 WeakPolarHBondContact CB-OD1 3.43Å; H4-D83 IonicContact CD2-OD1 3.36Å; H4-D83 PolarHBondContact CD2-OD1 3.24Å; H4-D83 IonicContact CG-OD1 3.61Å; H4-D83 PolarHBondContact N-OD1 2.94Å; D83-M163 WeakPolarHBondContact O-CE 3.34Å
84M98.2Very high98.2Very high4 Ų445.9 Ų45.92%0.0225%0.247CC..  trans-72.4155.7169-61.1-66.7-72.600112H4 P76 F86 P87 N155 F156 T159H4-M84 HydrophobicContact CB-CG 3.79Å; P76-M84 HydrophobicContact CG-CG 4.11Å; P76-M84 HydrophobicContact CG-SD 3.42Å; P76-M84 WeakPolarHBondContact CG-SD 3.32Å; M84-F86 VanDerWaalsContact C-N 3.33Å; M84-F86 PolarHBondContact O-N 3.46Å; M84-P87 WeakPolarHBondContact O-CD 3.49Å; M84-P87 WeakPolarHBondContact O-CG 3.46Å; M84-N155 HydrophobicContact CE-CB 4.39Å; M84-N155 WeakPolarHBondContact CE-ND2 3.35Å; M84-F156 HydrophobicContact CE-CD1 3.46Å; M84-F156 VanDerWaalsContact CE-CD1 3.46Å; M84-F156 HydrophobicContact CE-CE1 3.48Å; M84-F156 VanDerWaalsContact CE-CE1 3.48Å; M84-F156 HydrophobicContact CE-CG 4.11Å; M84-F156 HydrophobicContact CE-CZ 4.2Å; M84-F156 HydrophobicContact SD-CD1 4.46Å; M84-F156 HydrophobicContact SD-CE1 4.22Å; M84-T159 HydrophobicContact SD-CG2 4.07Å
85A98.3Very high98.2Very high29 Ų2950.1 Ų50.124%0.2426%0.259CS..SBendtrans-62.1-37.2179.800000113.3P87 N155 T158 T159 M163A85-P87 WeakPolarHBondContact O-CD 3.26Å; A85-N155 PolarHBondContact N-OD1 2.98Å; A85-T158 HydrophobicContact CB-CG2 3.68Å; A85-T159 WeakPolarHBondContact CB-OG1 3.45Å; A85-T159 PolarHBondContact N-OG1 3.11Å; A85-M163 WeakPolarHBondContact CA-SD 3.16Å; A85-M163 HydrophobicContact CB-SD 3.7Å; A85-M163 PolarHBondContact N-SD 2.7Å
86F98.5Very high98.2Very high83 Ų8351.4 Ų51.436%0.36427%0.266SS..SBendtrans-122.776.2178.7-52.7-55.5000111.9M84 R88 M89 N90 V154 N155 T158M84-F86 VanDerWaalsContact C-N 3.33Å; M84-F86 PolarHBondContact O-N 3.46Å; F86-R88 VanDerWaalsContact C-N 3.32Å; F86-R88 PolarHBondContact O-N 3.16Å; F86-M89 HydrophobicContact CB-CB 3.67Å; F86-M89 HydrophobicContact CB-CE 4.45Å; F86-M89 HydrophobicContact CB-SD 4.28Å; F86-M89 HydrophobicContact CD2-CE 4.2Å; F86-M89 HydrophobicContact CD2-SD 4.09Å; F86-M89 HydrophobicContact CG-CE 4.34Å; F86-M89 HydrophobicContact CG-SD 4.47Å; F86-M89 PolarHBondContact O-N 3.44Å; F86-N90 PolarHBondContact O-N 3.04Å; F86-V154 HydrophobicContact CE2-CG1 4.25Å; F86-N155 HydrophobicContact CD2-CB 4.3Å; F86-N155 PolarHBondContact N-OD1 3.46Å; F86-T158 HydrophobicContact CE2-CG2 3.71Å; F86-T158 WeakPolarHBondContact CE2-OG1 3.43Å; F86-T158 HydrophobicContact CZ-CG2 3.72Å
87P98.3Very high98.2Very high39 Ų3951.5 Ų51.525%0.25327%0.267SS..Hα-helixtrans-59.3-35.4-173.1-27.236.1000114.8T2 M84 A85 N90 N91T2-P87 WeakPolarHBondContact O-CB 3.15Å; M84-P87 WeakPolarHBondContact O-CD 3.49Å; M84-P87 WeakPolarHBondContact O-CG 3.46Å; A85-P87 WeakPolarHBondContact O-CD 3.26Å; P87-N90 WeakPolarHBondContact O-CB 3.42Å; P87-N91 PolarHBondContact O-N 3.32Å; P87-N91 VanDerWaalsContact O-N 3.08Å
88R98.4Very high98.2Very high202 Ų20248.8 Ų48.876%0.76225%0.254SS*.Hα-helixtrans-75.9-37.9178.4-66.8-177.6-176.1172.71.7112.7T2 F86 N90 N91 M92T2-R88 HydrophobicContact CG2-CG 3.98Å; F86-R88 VanDerWaalsContact C-N 3.32Å; F86-R88 PolarHBondContact O-N 3.16Å; R88-N90 PolarHBondContact O-N 3.18Å; R88-N91 PolarHBondContact O-N 3.21Å; R88-M92 PolarHBondContact O-N 2.91Å
89M98.1Very high98.2Very high58 Ų5848.2 Ų48.229%0.28626%0.255SS..Hα-helixtrans-63-38.5172.2-175.2-173.5-67.800110F86 M92 S93 L151 V154F86-M89 HydrophobicContact CB-CB 3.67Å; F86-M89 HydrophobicContact CB-CE 4.45Å; F86-M89 HydrophobicContact CB-SD 4.28Å; F86-M89 HydrophobicContact CD2-CE 4.2Å; F86-M89 HydrophobicContact CD2-SD 4.09Å; F86-M89 HydrophobicContact CG-CE 4.34Å; F86-M89 HydrophobicContact CG-SD 4.47Å; F86-M89 PolarHBondContact O-N 3.44Å; M89-M92 PolarHBondContact O-N 3.31Å; M89-S93 PolarHBondContact O-N 2.95Å; M89-L151 HydrophobicContact CG-CB 3.94Å; M89-L151 HydrophobicContact CG-CD1 4.48Å; M89-L151 HydrophobicContact CG-CD2 3.88Å; M89-L151 HydrophobicContact CG-CG 4.31Å; M89-L151 HydrophobicContact SD-CB 4.36Å; M89-L151 HydrophobicContact SD-CD2 3.98Å; M89-V154 HydrophobicContact SD-CG1 4.47Å
90N98.4Very high98.3Very high0 Ų048.2 Ų48.20%026%0.255CS..Hα-helixtrans-59-47.7172.9-160.531000112.3I7 N72 F86 P87 R88 M92 S93 F94 N155I7-N90 HydrophobicContact CD1-CB 4.11Å; N72-N90 PolarHBondContact ND2-OD1 2.85Å; N72-N90 PolarHBondContact OD1-ND2 3.36Å; N72-N90 PolarHBondContact OD1-OD1 3.16Å; F86-N90 PolarHBondContact O-N 3.04Å; P87-N90 WeakPolarHBondContact O-CB 3.42Å; R88-N90 PolarHBondContact O-N 3.18Å; N90-M92 VanDerWaalsContact C-N 3.33Å; N90-M92 PolarHBondContact O-N 2.96Å; N90-S93 PolarHBondContact O-N 3.46Å; N90-S93 PolarHBondContact O-OG 3.2Å; N90-F94 PolarHBondContact O-N 2.88Å; N90-N155 WeakPolarHBondContact CB-ND2 3.48Å
91N98.6Very high98.3Very high38 Ų3845.8 Ų45.820%0.20323%0.23CC..Hα-helixtrans-61.5-43.2175.9-179.269.8000111.4S1 I7 P87 R88 S93 F94 W95S1-N91 PolarHBondContact N-OD1 2.64Å; S1-N91 VanDerWaalsContact O-CB 3.29Å; S1-N91 WeakPolarHBondContact O-CB 3.43Å; S1-N91 PolarHBondContact O-OD1 2.99Å; I7-N91 HydrophobicContact CD1-CB 3.89Å; P87-N91 PolarHBondContact O-N 3.32Å; P87-N91 VanDerWaalsContact O-N 3.08Å; R88-N91 PolarHBondContact O-N 3.21Å; N91-S93 VanDerWaalsContact C-N 3.32Å; N91-S93 PolarHBondContact O-N 3.37Å; N91-F94 PolarHBondContact O-N 3.36Å; N91-W95 PolarHBondContact O-N 2.72Å; N91-W95 VanDerWaalsContact O-N 3.16Å; N91-W95 PolarHBondContact OD1-NE1 2.71Å; N91-W95 VanDerWaalsContact OD1-NE1 3.12Å
92M98.3Very high98.4Very high102 Ų10248.5 Ų48.550%0.50225%0.249SC..Hα-helixtrans-60.3-41.3175.9-176.7176.4177.400112R88 M89 N90 F94 W95 L96 L151R88-M92 PolarHBondContact O-N 2.91Å; M89-M92 PolarHBondContact O-N 3.31Å; N90-M92 VanDerWaalsContact C-N 3.33Å; N90-M92 PolarHBondContact O-N 2.96Å; M92-F94 VanDerWaalsContact C-N 3.28Å; M92-F94 PolarHBondContact O-N 3.18Å; M92-W95 PolarHBondContact O-N 3.04Å; M92-L96 HydrophobicContact CE-CD1 4.45Å; M92-L96 HydrophobicContact CG-CD1 4.44Å; M92-L96 WeakPolarHBondContact O-CG 3.39Å; M92-L96 PolarHBondContact O-N 3.49Å; M92-L151 HydrophobicContact CE-CD1 4.41Å; M92-L151 HydrophobicContact CG-CD1 4.12Å; M92-L151 HydrophobicContact SD-CD1 4.12Å
93S98.3Very high98.5Very high0 Ų045.5 Ų45.50%023%0.226CC..Hα-helixtrans-54.7-45.4177.673.30000111.3Y11 M89 N90 N91 S148Y11-S93 VanDerWaalsContact OH-C 3.22Å; Y11-S93 WeakPolarHBondContact OH-CB 3.4Å; Y11-S93 PolarHBondContact OH-OG 3.27Å; M89-S93 PolarHBondContact O-N 2.95Å; N90-S93 PolarHBondContact O-N 3.46Å; N90-S93 PolarHBondContact O-OG 3.2Å; N91-S93 VanDerWaalsContact C-N 3.32Å; N91-S93 PolarHBondContact O-N 3.37Å; S93-S148 WeakPolarHBondContact CB-O 3.43Å; S93-S148 VanDerWaalsContact O-CB 3.24Å; S93-S148 WeakPolarHBondContact O-CB 3.27Å; S93-S148 PolarHBondContact O-OG 2.97Å
94F98.8Very high98.5Very high7 Ų744.1 Ų44.13%0.03122%0.219CC..Hα-helixtrans-64.2-48.4177.3171.3-99.2000112.1I7 L10 Y11 W14 N90 N91 M92 L96 L97 P98I7-F94 HydrophobicContact CG2-CB 4.22Å; L10-F94 VanDerWaalsContact C-CE2 3.46Å; L10-F94 HydrophobicContact CB-CD1 4.29Å; L10-F94 HydrophobicContact CB-CD2 4.06Å; L10-F94 HydrophobicContact CB-CE1 3.92Å; L10-F94 HydrophobicContact CB-CE2 3.67Å; L10-F94 HydrophobicContact CB-CG 4.37Å; L10-F94 HydrophobicContact CB-CZ 3.61Å; L10-F94 HydrophobicContact CD1-CD1 4.16Å; L10-F94 HydrophobicContact CD1-CE1 3.96Å; L10-F94 HydrophobicContact CD1-CZ 4.47Å; L10-F94 HydrophobicContact CD2-CZ 4.44Å; L10-F94 HydrophobicContact CG-CE1 4.37Å; L10-F94 HydrophobicContact CG-CZ 4.39Å; L10-F94 WeakPolarHBondContact O-CE2 3.41Å; Y11-F94 AromaticContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD2-CB 4.37Å; Y11-F94 HydrophobicContact CD2-CD2 4.1Å; Y11-F94 HydrophobicContact CE1-CB 4.38Å; Y11-F94 HydrophobicContact CE1-CD2 4.07Å; Y11-F94 HydrophobicContact CE2-CB 3.75Å; Y11-F94 HydrophobicContact CE2-CD2 4.23Å; Y11-F94 HydrophobicContact CE2-CG 4.46Å; Y11-F94 AromaticContact CG-CD2 3.93Å; Y11-F94 HydrophobicContact CG-CD2 3.93Å; Y11-F94 WeakPolarHBondContact OH-CA 3.41Å; Y11-F94 PolarHBondContact OH-N 3.38Å; Y11-F94 VanDerWaalsContact OH-N 3.08Å; W14-F94 HydrophobicContact CB-CE2 3.82Å; W14-F94 HydrophobicContact CB-CZ 4.28Å; W14-F94 HydrophobicContact CG-CE2 4.2Å; N90-F94 PolarHBondContact O-N 2.88Å; N91-F94 PolarHBondContact O-N 3.36Å; M92-F94 VanDerWaalsContact C-N 3.28Å; M92-F94 PolarHBondContact O-N 3.18Å; F94-L96 PolarHBondContact O-N 3.38Å; F94-L96 VanDerWaalsContact O-N 3.11Å; F94-L97 WeakPolarHBondContact O-CB 3.27Å; F94-L97 PolarHBondContact O-N 3.24Å; F94-P98 VanDerWaalsContact O-CD 3.3Å; F94-P98 WeakPolarHBondContact O-CD 3.33Å
95W98.6Very high98.5Very high136 Ų13646.2 Ų46.252%0.51523%0.23SC..Hα-helixtrans-69.6-10.1-172.9-77.3110.6000114.9N91 M92 P98 P99N91-W95 PolarHBondContact O-N 2.72Å; N91-W95 VanDerWaalsContact O-N 3.16Å; N91-W95 PolarHBondContact OD1-NE1 2.71Å; N91-W95 VanDerWaalsContact OD1-NE1 3.12Å; M92-W95 PolarHBondContact O-N 3.04Å; W95-P98 HydrophobicContact CE3-CG 4.38Å; W95-P99 WeakPolarHBondContact O-CD 3.48Å
96L98.7Very high98.6Very high27 Ų2747.6 Ų47.614%0.14124%0.235CC..THydrogen-bonded Turntrans-76.8-21169.6-69.7171.3000112.9M92 F94 P99 A100 L144 I147 L151M92-L96 HydrophobicContact CE-CD1 4.45Å; M92-L96 HydrophobicContact CG-CD1 4.44Å; M92-L96 WeakPolarHBondContact O-CG 3.39Å; M92-L96 PolarHBondContact O-N 3.49Å; F94-L96 PolarHBondContact O-N 3.38Å; F94-L96 VanDerWaalsContact O-N 3.11Å; L96-P99 WeakPolarHBondContact O-CD 3.4Å; L96-P99 WeakPolarHBondContact O-CG 3.46Å; L96-A100 WeakPolarHBondContact O-CB 3.43Å; L96-A100 PolarHBondContact O-N 2.84Å; L96-L144 HydrophobicContact CD2-CD2 4.28Å; L96-I147 HydrophobicContact CD1-CB 4.08Å; L96-I147 HydrophobicContact CD1-CG2 3.53Å; L96-L151 HydrophobicContact CD1-CD1 4.06Å
97L98.8Very high98.6Very high3 Ų343.8 Ų43.82%0.01622%0.219CC..Hα-helixtrans-71.6-42.6-177.8-62.6-178.7000114.3Y11 P64 F94 A100 L101 A145Y11-L97 HydrophobicContact CD1-CD1 3.94Å; Y11-L97 HydrophobicContact CE1-CD1 3.5Å; P64-L97 HydrophobicContact CB-CD1 4.02Å; P64-L97 HydrophobicContact CG-CD1 3.7Å; F94-L97 WeakPolarHBondContact O-CB 3.27Å; F94-L97 PolarHBondContact O-N 3.24Å; L97-A100 WeakPolarHBondContact O-CB 3.43Å; L97-A100 PolarHBondContact O-N 2.96Å; L97-L101 PolarHBondContact O-N 2.91Å; L97-A145 HydrophobicContact CD2-CB 4.48Å
98P98.7Very high98.5Very high26 Ų2643.9 Ų43.917%0.16922%0.22CC..Hα-helixtrans-58.8-47.4176.5-25.535.2000115.6W14 F94 W95 A100 S102W14-P98 HydrophobicContact CE3-CG 4.47Å; W14-P98 HydrophobicContact CH2-CB 3.91Å; W14-P98 HydrophobicContact CH2-CG 4.2Å; W14-P98 HydrophobicContact CZ2-CB 4.22Å; W14-P98 HydrophobicContact CZ2-CG 4.26Å; W14-P98 HydrophobicContact CZ3-CB 4.29Å; W14-P98 HydrophobicContact CZ3-CG 4.3Å; F94-P98 VanDerWaalsContact O-CD 3.3Å; F94-P98 WeakPolarHBondContact O-CD 3.33Å; W95-P98 HydrophobicContact CE3-CG 4.38Å; P98-A100 VanDerWaalsContact C-N 3.33Å; P98-S102 WeakPolarHBondContact O-CB 3.26Å; P98-S102 PolarHBondContact O-N 3.36Å; P98-S102 PolarHBondContact O-OG 3.17Å
99P98.7Very high98.4Very high57 Ų5740.7 Ų40.737%0.3722%0.216SC..Hα-helixtrans-67.5-34.7174.125.3-32000111.8W95 L96 S102 L103 L144W95-P99 WeakPolarHBondContact O-CD 3.48Å; L96-P99 WeakPolarHBondContact O-CD 3.4Å; L96-P99 WeakPolarHBondContact O-CG 3.46Å; P99-S102 PolarHBondContact O-N 3.44Å; P99-L103 WeakPolarHBondContact O-CG 3.31Å; P99-L103 PolarHBondContact O-N 2.97Å; P99-L144 HydrophobicContact CB-CD1 4.17Å; P99-L144 HydrophobicContact CG-CD1 4.28Å
100A98.8Very high98.3Very high0 Ų040.1 Ų40.10%022%0.215CC..Hα-helixtrans-59.8-49.1174.900000111.9F60 L96 L97 P98 S102 L103 L104 S141 L144 A145F60-A100 HydrophobicContact CE1-CB 3.67Å; F60-A100 HydrophobicContact CZ-CB 3.82Å; L96-A100 WeakPolarHBondContact O-CB 3.43Å; L96-A100 PolarHBondContact O-N 2.84Å; L97-A100 WeakPolarHBondContact O-CB 3.43Å; L97-A100 PolarHBondContact O-N 2.96Å; P98-A100 VanDerWaalsContact C-N 3.33Å; A100-S102 VanDerWaalsContact C-N 3.33Å; A100-S102 PolarHBondContact O-N 3.34Å; A100-L103 PolarHBondContact O-N 3.44Å; A100-L104 PolarHBondContact O-N 3.13Å; A100-L104 VanDerWaalsContact O-N 3.08Å; A100-S141 VanDerWaalsContact O-CB 3.23Å; A100-S141 WeakPolarHBondContact O-CB 3.43Å; A100-S141 PolarHBondContact O-OG 3.14Å; A100-L144 HydrophobicContact CB-CB 3.62Å; A100-L144 HydrophobicContact CB-CD1 4.41Å; A100-A145 HydrophobicContact CB-CB 4.41Å
101L98.8Very high98.1Very high1 Ų146.7 Ų46.71%0.00525%0.246CC..Hα-helixtrans-66.1-39.1178.5-176.153.3000111.5W14 W17 A18 I56 F60 L97 L103 L104 L105W14-L101 HydrophobicContact CH2-CB 4.22Å; W14-L101 HydrophobicContact CH2-CD2 3.79Å; W14-L101 HydrophobicContact CZ2-CB 3.65Å; W14-L101 HydrophobicContact CZ2-CD2 3.41Å; W14-L101 VanDerWaalsContact CZ2-CD2 3.41Å; W14-L101 HydrophobicContact CZ2-CG 4.15Å; W17-L101 HydrophobicContact CE3-CD2 4.26Å; W17-L101 HydrophobicContact CZ3-CD2 3.66Å; A18-L101 HydrophobicContact CB-CD2 3.92Å; I56-L101 HydrophobicContact CD1-CD1 4.22Å; I56-L101 HydrophobicContact CG1-CD1 3.84Å; F60-L101 HydrophobicContact CB-CD1 4.43Å; F60-L101 HydrophobicContact CD1-CB 3.7Å; F60-L101 HydrophobicContact CD1-CD1 4.16Å; F60-L101 HydrophobicContact CD1-CD2 4.43Å; F60-L101 HydrophobicContact CD1-CG 4.31Å; F60-L101 HydrophobicContact CD2-CD1 4.14Å; F60-L101 HydrophobicContact CE1-CB 3.65Å; F60-L101 HydrophobicContact CE1-CD1 4.48Å; F60-L101 VanDerWaalsContact CE1-N 3.3Å; F60-L101 HydrophobicContact CE2-CD1 4.46Å; F60-L101 HydrophobicContact CG-CB 4.38Å; F60-L101 HydrophobicContact CG-CD1 3.97Å; F60-L101 HydrophobicContact CZ-CB 4.3Å; L97-L101 PolarHBondContact O-N 2.91Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 PolarHBondContact O-N 3.12Å; L101-L104 HydrophobicContact CD1-CD2 4.23Å; L101-L104 WeakPolarHBondContact O-CB 3.31Å; L101-L104 PolarHBondContact O-N 3.47Å; L101-L104 VanDerWaalsContact O-N 3.15Å; L101-L105 HydrophobicContact CD1-CD1 4.47Å; L101-L105 HydrophobicContact CD1-CG 4.18Å; L101-L105 HydrophobicContact CG-CD1 4.18Å; L101-L105 HydrophobicContact CG-CG 4.35Å; L101-L105 WeakPolarHBondContact O-CG 3.39Å; L101-L105 PolarHBondContact O-N 3.16Å
102S98.6Very high97.9Very high65 Ų6551 Ų5146%0.45527%0.269SS..Hα-helixtrans-56.9-46.2174.5-59.50000111.4P98 P99 A100 L104 L105 V106P98-S102 WeakPolarHBondContact O-CB 3.26Å; P98-S102 PolarHBondContact O-N 3.36Å; P98-S102 PolarHBondContact O-OG 3.17Å; P99-S102 PolarHBondContact O-N 3.44Å; A100-S102 VanDerWaalsContact C-N 3.33Å; A100-S102 PolarHBondContact O-N 3.34Å; S102-L104 VanDerWaalsContact C-N 3.33Å; S102-L104 PolarHBondContact O-N 3.49Å; S102-L105 PolarHBondContact O-N 3.41Å; S102-V106 WeakPolarHBondContact O-CB 3.38Å; S102-V106 VanDerWaalsContact O-CG2 3.26Å; S102-V106 WeakPolarHBondContact O-CG2 3.38Å; S102-V106 PolarHBondContact O-N 3.42Å
103L98.8Very high97.9Very high48 Ų4846.1 Ų46.125%0.25125%0.245SC..Hα-helixtrans-60.4-41.4175.8-72.1169.5000112P99 A100 L101 V106 S107 L137 F140 L144P99-L103 WeakPolarHBondContact O-CG 3.31Å; P99-L103 PolarHBondContact O-N 2.97Å; A100-L103 PolarHBondContact O-N 3.44Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 PolarHBondContact O-N 3.12Å; L103-V106 PolarHBondContact O-N 3.4Å; L103-S107 WeakPolarHBondContact O-CB 3.34Å; L103-S107 PolarHBondContact O-N 3.46Å; L103-L137 HydrophobicContact CD2-CD2 3.8Å; L103-F140 HydrophobicContact CD1-CB 3.94Å; L103-L144 HydrophobicContact CD1-CD1 3.7Å; L103-L144 HydrophobicContact CD1-CG 4.49Å
104L98.7Very high97.8Very high2 Ų246.3 Ų46.31%0.0125%0.246CC..Hα-helixtrans-63.5-45.4176.7-177.964.6000111.8F55 I56 F60 A100 L101 S102 S107 S108 S141F55-L104 HydrophobicContact CB-CD1 4.21Å; F55-L104 HydrophobicContact CB-CD2 3.66Å; F55-L104 HydrophobicContact CD2-CD1 3.86Å; F55-L104 HydrophobicContact CG-CD1 4.4Å; I56-L104 HydrophobicContact CD1-CD2 4.47Å; I56-L104 HydrophobicContact CG1-CD2 3.69Å; F60-L104 HydrophobicContact CD2-CD2 4.14Å; F60-L104 HydrophobicContact CE2-CD2 3.79Å; A100-L104 PolarHBondContact O-N 3.13Å; A100-L104 VanDerWaalsContact O-N 3.08Å; L101-L104 HydrophobicContact CD1-CD2 4.23Å; L101-L104 WeakPolarHBondContact O-CB 3.31Å; L101-L104 PolarHBondContact O-N 3.47Å; L101-L104 VanDerWaalsContact O-N 3.15Å; S102-L104 VanDerWaalsContact C-N 3.33Å; S102-L104 PolarHBondContact O-N 3.49Å; L104-S107 VanDerWaalsContact O-CB 3.28Å; L104-S107 WeakPolarHBondContact O-CB 3.5Å; L104-S107 PolarHBondContact O-N 2.9Å; L104-S107 PolarHBondContact O-OG 3.06Å; L104-S108 PolarHBondContact O-N 3.35Å; L104-S141 WeakPolarHBondContact CB-OG 3.34Å
105L98.4Very high97.8Very high47 Ų4746.1 Ų46.125%0.24625%0.247CC..Hα-helixtrans-65.5-43.8178.7-66.3176.8000110.9V21 I56 L101 S102 S107 S108 M109V21-L105 HydrophobicContact CG1-CD2 4.41Å; I56-L105 HydrophobicContact CD1-CD2 4.11Å; L101-L105 HydrophobicContact CD1-CD1 4.47Å; L101-L105 HydrophobicContact CD1-CG 4.18Å; L101-L105 HydrophobicContact CG-CD1 4.18Å; L101-L105 HydrophobicContact CG-CG 4.35Å; L101-L105 WeakPolarHBondContact O-CG 3.39Å; L101-L105 PolarHBondContact O-N 3.16Å; S102-L105 PolarHBondContact O-N 3.41Å; L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 3.5Å; L105-S108 WeakPolarHBondContact O-CB 3.46Å; L105-S108 PolarHBondContact O-N 3.09Å; L105-S108 PolarHBondContact O-OG 2.99Å; L105-M109 PolarHBondContact O-N 3.43Å
106V98.5Very high97.7Very high58 Ų5840.2 Ų40.235%0.35223%0.226SC..Hα-helixtrans-62.4-36.6174177.20000110.9S102 L103 S108 M109 V110 L137S102-V106 WeakPolarHBondContact O-CB 3.38Å; S102-V106 VanDerWaalsContact O-CG2 3.26Å; S102-V106 WeakPolarHBondContact O-CG2 3.38Å; S102-V106 PolarHBondContact O-N 3.42Å; L103-V106 PolarHBondContact O-N 3.4Å; V106-S108 PolarHBondContact O-N 2.59Å; V106-S108 VanDerWaalsContact O-N 3.13Å; V106-M109 HydrophobicContact CG2-CE 4.1Å; V106-M109 PolarHBondContact O-N 2.85Å; V106-V110 HydrophobicContact CG1-CG2 3.6Å; V106-V110 WeakPolarHBondContact O-CG2 3.46Å; V106-V110 PolarHBondContact O-N 3.25Å; V106-L137 HydrophobicContact CB-CD1 4.48Å; V106-L137 HydrophobicContact CG1-CD1 3.8Å
107S98.5Very high97.6Very high3 Ų340 Ų402%0.02123%0.23CC..Hα-helixtrans-57.1-28.7174.591.50000113.1L103 L104 L105 G113 A114 S134L103-S107 WeakPolarHBondContact O-CB 3.34Å; L103-S107 PolarHBondContact O-N 3.46Å; L104-S107 VanDerWaalsContact O-CB 3.28Å; L104-S107 WeakPolarHBondContact O-CB 3.5Å; L104-S107 PolarHBondContact O-N 2.9Å; L104-S107 PolarHBondContact O-OG 3.06Å; L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 3.5Å; S107-G113 VanDerWaalsContact O-CA 3.25Å; S107-G113 WeakPolarHBondContact O-CA 3.4Å; S107-A114 PolarHBondContact O-N 3.42Å; S107-S134 VanDerWaalsContact CB-O 3.28Å; S107-S134 WeakPolarHBondContact CB-O 3.46Å; S107-S134 VanDerWaalsContact O-CB 3.28Å; S107-S134 WeakPolarHBondContact O-CB 3.39Å
108S96.6Very high97.6Very high41 Ų4142.9 Ų42.929%0.28724%0.241SC..Hα-helixtrans-82.5-15.6178.172.90000113.8L104 L105 V106L104-S108 PolarHBondContact O-N 3.35Å; L105-S108 WeakPolarHBondContact O-CB 3.46Å; L105-S108 PolarHBondContact O-N 3.09Å; L105-S108 PolarHBondContact O-OG 2.99Å; V106-S108 PolarHBondContact O-N 2.59Å; V106-S108 VanDerWaalsContact O-N 3.13Å
109M96.3Very high97.5Very high136 Ų13642.6 Ų42.667%0.6724%0.238SC*.Hα-helixtrans-108.8-13.5-175-63.3-176.1-68.300113.6L105 V106L105-M109 PolarHBondContact O-N 3.43Å; V106-M109 HydrophobicContact CG2-CE 4.1Å; V106-M109 PolarHBondContact O-N 2.85Å
110V96.3Very high97.5Very high45 Ų4540 Ų4027%0.27322%0.222SC..SBendtrans-98137.5-179.1174.30000109.9V106 N112 G113 S134 L137V106-V110 HydrophobicContact CG1-CG2 3.6Å; V106-V110 WeakPolarHBondContact O-CG2 3.46Å; V106-V110 PolarHBondContact O-N 3.25Å; V110-N112 PolarHBondContact O-N 3.17Å; V110-G113 PolarHBondContact O-N 3.2Å; V110-S134 WeakPolarHBondContact O-CB 3.48Å; V110-L137 HydrophobicContact CB-CD1 4.34Å; V110-L137 HydrophobicContact CG2-CD1 4.27Å
111E95.1Very high97.4Very high139 Ų13942.8 Ų42.865%0.6523%0.233SC*.THydrogen-bonded Turntrans48.7-133.4-173.2-53.9-51.7146.300111.7G113E111-G113 VanDerWaalsContact C-N 3.27Å; E111-G113 PolarHBondContact O-N 2.9Å
112N94.2Very high97.4Very high127 Ų12743.2 Ų43.268%0.67924%0.235SC*.THydrogen-bonded Turntrans-88.613.9177.8-67-33.8000113.5Q44 V48 V110Q44-N112 HydrophobicContact CG-CB 4.25Å; Q44-N112 WeakPolarHBondContact CG-O 3.37Å; Q44-N112 PolarHBondContact NE2-O 3.35Å; V48-N112 WeakPolarHBondContact CG2-O 3.16Å; V110-N112 PolarHBondContact O-N 3.17Å
113G97.3Very high97.3Very high0 Ų043.9 Ų43.90%024%0.238CC..  trans68.3171.7-175.900000114.4S107 V110 E111 G115 S134S107-G113 VanDerWaalsContact O-CA 3.25Å; S107-G113 WeakPolarHBondContact O-CA 3.4Å; V110-G113 PolarHBondContact O-N 3.2Å; E111-G113 VanDerWaalsContact C-N 3.27Å; E111-G113 PolarHBondContact O-N 2.9Å; G113-G115 PolarHBondContact O-N 3.11Å; G113-S134 VanDerWaalsContact C-OG 3.25Å; G113-S134 WeakPolarHBondContact O-CB 3.44Å; G113-S134 PolarHBondContact O-OG 3.45Å
114A97.8Very high97.2Very high4 Ų445.7 Ų45.73%0.03325%0.248CC..  trans-88.279.1174.800000110.9T51 S107 T116 V135 A138T51-A114 VanDerWaalsContact CB-O 3.27Å; T51-A114 WeakPolarHBondContact CB-O 2.95Å; T51-A114 VanDerWaalsContact CG2-O 3.31Å; T51-A114 WeakPolarHBondContact CG2-O 3.21Å; T51-A114 PolarHBondContact OG1-O 3.5Å; S107-A114 PolarHBondContact O-N 3.42Å; A114-T116 VanDerWaalsContact C-N 3.3Å; A114-T116 PolarHBondContact O-N 3.35Å; A114-V135 HydrophobicContact CB-CG2 4.43Å; A114-A138 HydrophobicContact CB-CB 3.99Å
115G97.3Very high97.1Very high4 Ų445.6 Ų45.64%0.04125%0.247CC..  trans-90.140-178.300000114.3G113G113-G115 PolarHBondContact O-N 3.11Å
116T97.4Very high97Very high11 Ų1144.1 Ų44.17%0.06724%0.242CC..SBendtrans-100.7-0.2-168.362.80000114.2A114 L124 V135A114-T116 VanDerWaalsContact C-N 3.3Å; A114-T116 PolarHBondContact O-N 3.35Å; T116-L124 HydrophobicContact CG2-CG 4.47Å; T116-V135 HydrophobicContact CG2-CG2 3.93Å
117G97.3Very high96.8Very high23 Ų2343.1 Ų43.124%0.23724%0.243CC..THydrogen-bonded Turntrans76.8162.8-164.300000111.7T51 T119 V120T51-G117 VanDerWaalsContact OG1-CA 3.27Å; T51-G117 WeakPolarHBondContact OG1-CA 3.36Å; T51-G117 PolarHBondContact OG1-N 3.43Å; G117-T119 PolarHBondContact O-N 2.75Å; G117-T119 VanDerWaalsContact O-N 3.16Å; G117-V120 PolarHBondContact O-N 3.05Å; G117-V120 VanDerWaalsContact O-N 3.13Å
118W97.1Very high96.5Very high64 Ų6449.8 Ų49.824%0.24228%0.277CS..THydrogen-bonded Turntrans-66.4-16.9-178.783.3-78.8000113.6A54 F55 I58 F227 W228A54-W118 HydrophobicContact CB-CB 3.55Å; A54-W118 HydrophobicContact CB-CG 4.14Å; F55-W118 HydrophobicContact CD1-CB 4.48Å; F55-W118 HydrophobicContact CE1-CB 4.15Å; F55-W118 WeakPolarHBondContact CE1-O 3.33Å; F55-W118 HydrophobicContact CZ-CB 4.29Å; F55-W118 WeakPolarHBondContact CZ-O 3.25Å; I58-W118 HydrophobicContact CD1-CE3 4.26Å; I58-W118 HydrophobicContact CD1-CZ3 4.25Å; W118-F227 HydrophobicContact CD2-CZ 4.25Å; W118-F227 AromaticContact CE3-CZ 3.76Å; W118-F227 HydrophobicContact CE3-CZ 3.76Å; W118-F227 AromaticContact CH2-CE1 3.81Å; W118-F227 HydrophobicContact CH2-CE1 3.81Å; W118-F227 AromaticContact CH2-CZ 3.74Å; W118-F227 HydrophobicContact CH2-CZ 3.74Å; W118-F227 HydrophobicContact CZ2-CE1 4.1Å; W118-F227 HydrophobicContact CZ2-CZ 4.21Å; W118-F227 HydrophobicContact CZ3-CE1 4.07Å; W118-F227 AromaticContact CZ3-CZ 3.51Å; W118-F227 HydrophobicContact CZ3-CZ 3.51Å; W118-W228 HydrophobicContact CH2-CH2 4.42Å; W118-W228 HydrophobicContact CH2-CZ3 4.35Å; W118-W228 AromaticContact CZ2-CH2 3.83Å; W118-W228 HydrophobicContact CZ2-CH2 3.83Å; W118-W228 HydrophobicContact CZ2-CZ3 4.19Å
119T97.4Very high96.4Very high19 Ų1950.5 Ų50.512%0.11729%0.285CS..THydrogen-bonded Turntrans-84.5-15.9176.763.20000113.4G117 Y121 Y223 F227 W228G117-T119 PolarHBondContact O-N 2.75Å; G117-T119 VanDerWaalsContact O-N 3.16Å; T119-Y121 VanDerWaalsContact C-N 3.3Å; T119-Y121 HydrophobicContact CG2-CE1 4.36Å; T119-Y121 HydrophobicContact CG2-CE2 4.38Å; T119-Y121 PolarHBondContact O-N 2.95Å; T119-Y121 WeakPolarHBondContact OG1-CD2 3.36Å; T119-Y121 WeakPolarHBondContact OG1-CE2 3.4Å; T119-Y223 WeakPolarHBondContact O-CE1 3.07Å; T119-Y223 PolarHBondContact O-OH 3.3Å; T119-F227 HydrophobicContact CG2-CD1 4.37Å; T119-F227 HydrophobicContact CG2-CE1 3.69Å; T119-F227 HydrophobicContact CG2-CZ 3.91Å; T119-W228 HydrophobicContact CG2-CZ2 4.34Å
120V97.8Very high96.4Very high4 Ų444.8 Ų44.82%0.02426%0.257CS..THydrogen-bonded Turntrans54.541.3173.1-158.70000113.4F55 G117 S125 V135 L201F55-V120 HydrophobicContact CE2-CG2 4.21Å; F55-V120 HydrophobicContact CZ-CG2 3.59Å; G117-V120 PolarHBondContact O-N 3.05Å; G117-V120 VanDerWaalsContact O-N 3.13Å; V120-S125 VanDerWaalsContact O-CB 3.29Å; V120-S125 WeakPolarHBondContact O-CB 3.35Å; V120-S125 PolarHBondContact O-OG 2.91Å; V120-V135 HydrophobicContact CG1-CG1 4.07Å; V120-L201 HydrophobicContact CG1-CD2 3.82Å
121Y98.2Very high96.1Very high57 Ų5745.8 Ų45.822%0.22428%0.276CS..  trans-68.7130-174.1-70.2-26.1000114.1T119 L124 S125 Y223 Q224 F227 W228T119-Y121 VanDerWaalsContact C-N 3.3Å; T119-Y121 HydrophobicContact CG2-CE1 4.36Å; T119-Y121 HydrophobicContact CG2-CE2 4.38Å; T119-Y121 PolarHBondContact O-N 2.95Å; T119-Y121 WeakPolarHBondContact OG1-CD2 3.36Å; T119-Y121 WeakPolarHBondContact OG1-CE2 3.4Å; Y121-L124 WeakPolarHBondContact O-CB 3.33Å; Y121-L124 PolarHBondContact O-N 3.08Å; Y121-S125 PolarHBondContact O-N 3.32Å; Y121-S125 PolarHBondContact O-OG 3.29Å; Y121-Y223 AromaticContact CD1-CD1 3.51Å; Y121-Y223 HydrophobicContact CD1-CD1 3.51Å; Y121-Y223 AromaticContact CD1-CE1 3.63Å; Y121-Y223 HydrophobicContact CD1-CE1 3.63Å; Y121-Y223 AromaticContact CE1-CD1 3.97Å; Y121-Y223 HydrophobicContact CE1-CD1 3.97Å; Y121-Y223 HydrophobicContact CE1-CE1 4.07Å; Y121-Q224 HydrophobicContact CD1-CG 4.12Å; Y121-Q224 HydrophobicContact CE1-CB 4.33Å; Y121-Q224 HydrophobicContact CE1-CG 3.73Å; Y121-Q224 HydrophobicContact CE2-CG 4.34Å; Y121-F227 HydrophobicContact CE1-CD1 4.47Å; Y121-F227 HydrophobicContact CE1-CG 4.46Å; Y121-W228 PolarHBondContact OH-NE1 2.98Å
122P97Very high96.1Very high10 Ų1040.1 Ų40.17%0.06526%0.255CS..THydrogen-bonded Turntrans-70.5153.5162.229.4-31.6000110.2L124 S125 L201 F212 Y223P122-L124 VanDerWaalsContact C-N 3.34Å; P122-S125 VanDerWaalsContact N-OG 3.13Å; P122-L201 HydrophobicContact CB-CD1 4.13Å; P122-L201 HydrophobicContact CG-CD1 4.46Å; P122-F212 HydrophobicContact CB-CB 3.92Å; P122-F212 HydrophobicContact CG-CB 3.57Å; P122-F212 HydrophobicContact CG-CD2 4.1Å; P122-F212 HydrophobicContact CG-CG 3.84Å; P122-Y223 VanDerWaalsContact CD-CG 3.41Å; P122-Y223 HydrophobicContact CG-CD2 4.02Å; P122-Y223 HydrophobicContact CG-CG 3.88Å
123P96.5Very high96.3Very high79 Ų7936.2 Ų36.251%0.51324%0.241SC..THydrogen-bonded Turncis-81.3-3.9233.7-36.1000114S125 A126P123-S125 VanDerWaalsContact C-N 3.3Å; P123-S125 PolarHBondContact O-N 3.33Å; P123-A126 WeakPolarHBondContact O-CB 3.49Å; P123-A126 PolarHBondContact O-N 2.76Å
124L97.5Very high96.3Very high86 Ų8636.3 Ų36.345%0.4524%0.242SC..THydrogen-bonded Turntrans-61-39.7-178.9-178.863.6000111.9T116 Y121 P122 A126 A129 H130T116-L124 HydrophobicContact CG2-CG 4.47Å; Y121-L124 WeakPolarHBondContact O-CB 3.33Å; Y121-L124 PolarHBondContact O-N 3.08Å; P122-L124 VanDerWaalsContact C-N 3.34Å; L124-A126 VanDerWaalsContact C-N 3.31Å; L124-A129 HydrophobicContact CD1-CB 4.18Å; L124-A129 WeakPolarHBondContact O-CB 3.29Å; L124-H130 PolarHBondContact O-ND1 3.02Å
125S97.1Very high96.4Very high0 Ų036.1 Ų36.10%024%0.24CC..THydrogen-bonded Turntrans-82.2-2.8175.463.50000114.4V120 Y121 P122 P123 L201 R205V120-S125 VanDerWaalsContact O-CB 3.29Å; V120-S125 WeakPolarHBondContact O-CB 3.35Å; V120-S125 PolarHBondContact O-OG 2.91Å; Y121-S125 PolarHBondContact O-N 3.32Å; Y121-S125 PolarHBondContact O-OG 3.29Å; P122-S125 VanDerWaalsContact N-OG 3.13Å; P123-S125 VanDerWaalsContact C-N 3.3Å; P123-S125 PolarHBondContact O-N 3.33Å; S125-L201 WeakPolarHBondContact OG-CD2 3.33Å; S125-R205 WeakPolarHBondContact O-CD 3.44Å; S125-R205 PolarHBondContact O-NH1 2.59Å
126A96.3Very high96.4Very high17 Ų1736.7 Ų36.714%0.1424%0.242CC..SBendtrans-81.9167.3177.800000111.8P123 L124 I128 A129 H130P123-A126 WeakPolarHBondContact O-CB 3.49Å; P123-A126 PolarHBondContact O-N 2.76Å; L124-A126 VanDerWaalsContact C-N 3.31Å; A126-I128 PolarHBondContact O-N 3.08Å; A126-I128 VanDerWaalsContact O-N 3.11Å; A126-A129 PolarHBondContact O-N 3.23Å; A126-A129 VanDerWaalsContact O-N 3.14Å; A126-H130 PolarHBondContact O-N 3.49Å
127G93.3Very high96.5Very high36 Ų3637.9 Ų37.937%0.37125%0.248SC..THydrogen-bonded Turntrans-60.3-22.4-177.600000114.7A129 G131G127-A129 VanDerWaalsContact C-N 3.34Å; G127-A129 PolarHBondContact O-N 3.44Å; G127-G131 VanDerWaalsContact O-CA 3.26Å; G127-G131 WeakPolarHBondContact O-CA 3.37Å; G127-G131 PolarHBondContact O-N 3.27Å
128I92.3Very high96.5Very high143 Ų14337 Ų3773%0.73324%0.238SC*.THydrogen-bonded Turntrans-65.1-37.1177.6-61.8171.1000111.5A126A126-I128 PolarHBondContact O-N 3.08Å; A126-I128 VanDerWaalsContact O-N 3.11Å
129A94.4Very high96.6Very high56 Ų5634 Ų3446%0.46323%0.227SC..THydrogen-bonded Turntrans-106.2-32.3-178.500000113L124 A126 G127L124-A129 HydrophobicContact CD1-CB 4.18Å; L124-A129 WeakPolarHBondContact O-CB 3.29Å; A126-A129 PolarHBondContact O-N 3.23Å; A126-A129 VanDerWaalsContact O-N 3.14Å; G127-A129 VanDerWaalsContact C-N 3.34Å; G127-A129 PolarHBondContact O-N 3.44Å
130H96.1Very high96.7Very high16 Ų1637.8 Ų37.87%0.07424%0.242CC..  trans-127.878.1175.2-76.479.9000110.2Q44 L124 A126 G132 V135 R205Q44-H130 PolarHBondContact NE2-NE2 3.2Å; L124-H130 PolarHBondContact O-ND1 3.02Å; A126-H130 PolarHBondContact O-N 3.49Å; H130-G132 VanDerWaalsContact C-N 3.27Å; H130-G132 PolarHBondContact O-N 2.98Å; H130-V135 HydrophobicContact CB-CG2 3.72Å; H130-R205 PolarHBondContact O-NH1 2.75Å; H130-R205 PolarHBondContact O-NH2 2.75Å
131G91.3Very high96.7Very high66 Ų6637.6 Ų37.668%0.6824%0.241SC*.  trans-71.7-14.1-176.700000115.8G127G127-G131 VanDerWaalsContact O-CA 3.26Å; G127-G131 WeakPolarHBondContact O-CA 3.37Å; G127-G131 PolarHBondContact O-N 3.27Å
132G95.1Very high96.7Very high20 Ų2035.2 Ų35.221%0.20623%0.232CC..SBendtrans-79.1169.3-179.500000114.5H130 S134 R205H130-G132 VanDerWaalsContact C-N 3.27Å; H130-G132 PolarHBondContact O-N 2.98Å; G132-S134 PolarHBondContact O-N 3.17Å; G132-R205 PolarHBondContact O-NH2 3.09Å
133A97.4Very high96.8Very high46 Ų4636.5 Ų36.538%0.3824%0.237SC..THydrogen-bonded Turntrans-73.5-3.4179.800000114.6V135 D136 L137A133-V135 PolarHBondContact O-N 3.05Å; A133-D136 WeakPolarHBondContact CA-OD2 3.44Å; A133-D136 PolarHBondContact O-N 3.36Å; A133-L137 WeakPolarHBondContact O-CG 3.32Å; A133-L137 PolarHBondContact O-N 3.33Å
134S98.1Very high96.9Very high2 Ų234.8 Ų34.81%0.01422%0.223CC..Hα-helixtrans-58.3-49.5-176.457.10000112.1S107 V110 G113 G132 D136 L137 A138S107-S134 VanDerWaalsContact CB-O 3.28Å; S107-S134 WeakPolarHBondContact CB-O 3.46Å; S107-S134 VanDerWaalsContact O-CB 3.28Å; S107-S134 WeakPolarHBondContact O-CB 3.39Å; V110-S134 WeakPolarHBondContact O-CB 3.48Å; G113-S134 VanDerWaalsContact C-OG 3.25Å; G113-S134 WeakPolarHBondContact O-CB 3.44Å; G113-S134 PolarHBondContact O-OG 3.45Å; G132-S134 PolarHBondContact O-N 3.17Å; S134-D136 VanDerWaalsContact C-N 3.28Å; S134-D136 PolarHBondContact O-N 3.21Å; S134-L137 PolarHBondContact O-N 2.98Å; S134-A138 PolarHBondContact O-N 2.85Å; S134-A138 VanDerWaalsContact O-N 3.09Å
135V98.6Very high97Very high0 Ų030.8 Ų30.80%020%0.202CC..Hα-helixtrans-65.6-34178.7178.70000111.3A114 T116 V120 H130 A133 A138 I139A114-V135 HydrophobicContact CB-CG2 4.43Å; T116-V135 HydrophobicContact CG2-CG2 3.93Å; V120-V135 HydrophobicContact CG1-CG1 4.07Å; H130-V135 HydrophobicContact CB-CG2 3.72Å; A133-V135 PolarHBondContact O-N 3.05Å; V135-A138 PolarHBondContact O-N 3.11Å; V135-I139 HydrophobicContact CG1-CD1 4.02Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 VanDerWaalsContact O-CG1 3.29Å; V135-I139 WeakPolarHBondContact O-CG1 3.27Å; V135-I139 PolarHBondContact O-N 3.21Å
136D98.6Very high97Very high16 Ų1631.2 Ų31.29%0.08621%0.207CC..Hα-helixtrans-65.8-42.3177.9-53.3-50.7000111.5A133 S134 A138 I139 F140 L202 R205 N206A133-D136 WeakPolarHBondContact CA-OD2 3.44Å; A133-D136 PolarHBondContact O-N 3.36Å; S134-D136 VanDerWaalsContact C-N 3.28Å; S134-D136 PolarHBondContact O-N 3.21Å; D136-A138 PolarHBondContact O-N 3.23Å; D136-I139 WeakPolarHBondContact O-CB 3.45Å; D136-I139 PolarHBondContact O-N 3.12Å; D136-F140 HydrophobicContact CB-CE2 4.46Å; D136-F140 WeakPolarHBondContact O-CD2 3.44Å; D136-F140 PolarHBondContact O-N 3.03Å; D136-L202 HydrophobicContact CB-CD1 3.87Å; D136-L202 VanDerWaalsContact OD1-CD1 3.25Å; D136-L202 WeakPolarHBondContact OD1-CD1 3.43Å; D136-R205 IonicContact OD1-CZ 3.47Å; D136-R205 IonicContact OD1-NE 2.74Å; D136-R205 PolarHBondContact OD1-NE 2.94Å; D136-R205 IonicContact OD1-NH2 3.32Å; D136-R205 PolarHBondContact OD1-NH2 2.89Å; D136-R205 IonicContact OD2-CZ 3.87Å; D136-R205 IonicContact OD2-NE 3.87Å; D136-R205 IonicContact OD2-NH2 2.98Å; D136-R205 PolarHBondContact OD2-NH2 3.46Å; D136-N206 PolarHBondContact OD1-ND2 3.21Å
137L98.8Very high97.2Very high36 Ų3634 Ų3419%0.18822%0.219CC..Hα-helixtrans-63.8-39.6174.7-68.2173000112.2L103 V106 V110 A133 S134 F140 S141L103-L137 HydrophobicContact CD2-CD2 3.8Å; V106-L137 HydrophobicContact CB-CD1 4.48Å; V106-L137 HydrophobicContact CG1-CD1 3.8Å; V110-L137 HydrophobicContact CB-CD1 4.34Å; V110-L137 HydrophobicContact CG2-CD1 4.27Å; A133-L137 WeakPolarHBondContact O-CG 3.32Å; A133-L137 PolarHBondContact O-N 3.33Å; S134-L137 PolarHBondContact O-N 2.98Å; L137-F140 PolarHBondContact O-N 2.82Å; L137-S141 PolarHBondContact O-N 3.38Å
138A98.6Very high97.4Very high4 Ų432.5 Ų32.53%0.03320%0.203CC..Hα-helixtrans-63.4-42.3173.400000111.3A114 S134 V135 D136 F140 S141 L142A114-A138 HydrophobicContact CB-CB 3.99Å; S134-A138 PolarHBondContact O-N 2.85Å; S134-A138 VanDerWaalsContact O-N 3.09Å; V135-A138 PolarHBondContact O-N 3.11Å; D136-A138 PolarHBondContact O-N 3.23Å; A138-F140 PolarHBondContact O-N 2.84Å; A138-S141 WeakPolarHBondContact O-CB 3.46Å; A138-S141 PolarHBondContact O-N 3.09Å; A138-L142 WeakPolarHBondContact O-CG 3.13Å; A138-L142 PolarHBondContact O-N 3.44Å
139I98.8Very high97.7Very high2 Ų226.7 Ų26.71%0.0118%0.175CC..Hα-helixtrans-60.4-46.3174.1-71.6168000110.8V135 D136 S141 L142 H143 I198 L201 L202V135-I139 HydrophobicContact CG1-CD1 4.02Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 VanDerWaalsContact O-CG1 3.29Å; V135-I139 WeakPolarHBondContact O-CG1 3.27Å; V135-I139 PolarHBondContact O-N 3.21Å; D136-I139 WeakPolarHBondContact O-CB 3.45Å; D136-I139 PolarHBondContact O-N 3.12Å; I139-S141 VanDerWaalsContact C-N 3.32Å; I139-S141 PolarHBondContact O-N 3.38Å; I139-L142 PolarHBondContact O-N 3.41Å; I139-H143 WeakPolarHBondContact CG2-CE1 3.27Å; I139-H143 WeakPolarHBondContact CG2-ND1 3.5Å; I139-H143 PolarHBondContact O-N 3.45Å; I139-H143 PolarHBondContact O-ND1 3.01Å; I139-I198 HydrophobicContact CG1-CB 4.35Å; I139-I198 HydrophobicContact CG2-CB 4.08Å; I139-I198 HydrophobicContact CG2-CD1 4.27Å; I139-I198 HydrophobicContact CG2-CG1 4.24Å; I139-L201 HydrophobicContact CD1-CD2 4.02Å; I139-L201 HydrophobicContact CD1-CG 4.15Å; I139-L202 HydrophobicContact CD1-CB 4.27Å; I139-L202 HydrophobicContact CD1-CD1 4.26Å; I139-L202 HydrophobicContact CG2-CB 4.26Å; I139-L202 HydrophobicContact CG2-CD1 4.36Å; I139-L202 HydrophobicContact CG2-CD2 4.4Å
140F98.8Very high97.9Very high98 Ų9826.1 Ų26.143%0.4316%0.163SC..Hα-helixtrans-64.1-36.8177.3-71.3-55.4000112.7L103 D136 L137 A138 H143 L144 L202L103-F140 HydrophobicContact CD1-CB 3.94Å; D136-F140 HydrophobicContact CB-CE2 4.46Å; D136-F140 WeakPolarHBondContact O-CD2 3.44Å; D136-F140 PolarHBondContact O-N 3.03Å; L137-F140 PolarHBondContact O-N 2.82Å; A138-F140 PolarHBondContact O-N 2.84Å; F140-H143 PolarHBondContact O-N 2.8Å; F140-L144 WeakPolarHBondContact O-CG 3.12Å; F140-L144 PolarHBondContact O-N 3.4Å; F140-L144 VanDerWaalsContact O-N 3.08Å; F140-L202 HydrophobicContact CE1-CD2 3.86Å; F140-L202 HydrophobicContact CZ-CD1 4.48Å; F140-L202 HydrophobicContact CZ-CD2 3.85Å
141S98.8Very high98Very high0 Ų027 Ų270%017%0.168CC..Hα-helixtrans-56.4-50.7172.3178.70000111.6F60 A100 L104 L137 A138 I139 H143 L144 A145F60-S141 WeakPolarHBondContact CZ-OG 3.4Å; A100-S141 VanDerWaalsContact O-CB 3.23Å; A100-S141 WeakPolarHBondContact O-CB 3.43Å; A100-S141 PolarHBondContact O-OG 3.14Å; L104-S141 WeakPolarHBondContact CB-OG 3.34Å; L137-S141 PolarHBondContact O-N 3.38Å; A138-S141 WeakPolarHBondContact O-CB 3.46Å; A138-S141 PolarHBondContact O-N 3.09Å; I139-S141 VanDerWaalsContact C-N 3.32Å; I139-S141 PolarHBondContact O-N 3.38Å; S141-H143 VanDerWaalsContact C-N 3.33Å; S141-H143 PolarHBondContact O-N 3.26Å; S141-L144 PolarHBondContact O-N 2.97Å; S141-A145 PolarHBondContact O-N 2.98Å
142L98.4Very high98.4Very high7 Ų724.1 Ų24.14%0.03714%0.139CC..Hα-helixtrans-64.8-35.6179.8-66.2177.2000112.5F55 F59 A138 I139 G146 I198F55-L142 HydrophobicContact CD1-CD1 4.46Å; F55-L142 HydrophobicContact CD1-CD2 3.69Å; F55-L142 HydrophobicContact CE1-CD1 3.74Å; F55-L142 HydrophobicContact CE1-CD2 3.79Å; F55-L142 HydrophobicContact CE1-CG 4.32Å; F55-L142 HydrophobicContact CG-CD2 4.31Å; F55-L142 HydrophobicContact CZ-CD1 3.77Å; F55-L142 HydrophobicContact CZ-CD2 4.45Å; F59-L142 HydrophobicContact CD1-CD2 4.49Å; F59-L142 HydrophobicContact CD2-CD2 4.01Å; F59-L142 HydrophobicContact CE2-CD2 4.05Å; F59-L142 HydrophobicContact CG-CD2 4.26Å; F59-L142 HydrophobicContact CZ-CD2 4.35Å; A138-L142 WeakPolarHBondContact O-CG 3.13Å; A138-L142 PolarHBondContact O-N 3.44Å; I139-L142 PolarHBondContact O-N 3.41Å; L142-G146 PolarHBondContact O-N 3.26Å; L142-I198 HydrophobicContact CB-CD1 3.85Å
143H98.9Very high98.5Very high37 Ų3723.2 Ų23.217%0.17113%0.129CC..Hα-helixtrans-60.2-48.5172.2-7997.3000112I139 F140 S141 G146 I147 I198 T199I139-H143 WeakPolarHBondContact CG2-CE1 3.27Å; I139-H143 WeakPolarHBondContact CG2-ND1 3.5Å; I139-H143 PolarHBondContact O-N 3.45Å; I139-H143 PolarHBondContact O-ND1 3.01Å; F140-H143 PolarHBondContact O-N 2.8Å; S141-H143 VanDerWaalsContact C-N 3.33Å; S141-H143 PolarHBondContact O-N 3.26Å; H143-G146 PolarHBondContact O-N 3.05Å; H143-I147 VanDerWaalsContact O-CG1 3.25Å; H143-I147 WeakPolarHBondContact O-CG1 3.3Å; H143-I147 PolarHBondContact O-N 3.25Å; H143-I198 VanDerWaalsContact CE1-CD1 3.49Å; H143-I198 WeakPolarHBondContact CE1-CD1 3.41Å; H143-I198 VanDerWaalsContact CE1-CG1 3.41Å; H143-I198 WeakPolarHBondContact CE1-CG1 3.37Å; H143-T199 PolarHBondContact NE2-OG1 2.8Å
144L98.8Very high98.6Very high43 Ų4323.2 Ų23.223%0.22512%0.124CC..Hα-helixtrans-65.5-41.1-179.5-67.5-172.1000112L96 P99 A100 L103 F140 S141 I147 S148L96-L144 HydrophobicContact CD2-CD2 4.28Å; P99-L144 HydrophobicContact CB-CD1 4.17Å; P99-L144 HydrophobicContact CG-CD1 4.28Å; A100-L144 HydrophobicContact CB-CB 3.62Å; A100-L144 HydrophobicContact CB-CD1 4.41Å; L103-L144 HydrophobicContact CD1-CD1 3.7Å; L103-L144 HydrophobicContact CD1-CG 4.49Å; F140-L144 WeakPolarHBondContact O-CG 3.12Å; F140-L144 PolarHBondContact O-N 3.4Å; F140-L144 VanDerWaalsContact O-N 3.08Å; S141-L144 PolarHBondContact O-N 2.97Å; L144-I147 PolarHBondContact O-N 3.45Å; L144-S148 PolarHBondContact O-N 3.25Å
145A98.6Very high98.6Very high1 Ų123.1 Ų23.11%0.00812%0.124CC..Hα-helixtrans-64.9-38174.100000112.3F59 F60 L97 A100 S141 S148 S149F59-A145 HydrophobicContact CB-CB 4.42Å; F60-A145 HydrophobicContact CZ-CB 4.16Å; L97-A145 HydrophobicContact CD2-CB 4.48Å; A100-A145 HydrophobicContact CB-CB 4.41Å; S141-A145 PolarHBondContact O-N 2.98Å; A145-S148 WeakPolarHBondContact O-CB 3.18Å; A145-S148 PolarHBondContact O-N 3.36Å; A145-S149 PolarHBondContact O-N 2.98Å; A145-S149 VanDerWaalsContact O-N 3.09Å; A145-S149 PolarHBondContact O-OG 2.87Å; A145-S149 VanDerWaalsContact O-OG 3.06Å
146G98.3Very high98.6Very high9 Ų923.2 Ų23.29%0.09312%0.124CC..Hα-helixtrans-64.7-44.9174.400000112.5L142 H143 S148 S149 I150L142-G146 PolarHBondContact O-N 3.26Å; H143-G146 PolarHBondContact O-N 3.05Å; G146-S148 VanDerWaalsContact C-N 3.34Å; G146-S148 PolarHBondContact O-N 3.24Å; G146-S149 PolarHBondContact O-N 3.2Å; G146-I150 WeakPolarHBondContact O-CG1 3.38Å; G146-I150 PolarHBondContact O-N 3.44Å
147I98.8Very high98.6Very high77 Ų7723.6 Ų23.640%0.39513%0.126SC..Hα-helixtrans-61.3-44.6175.4-65.4162.7000110.3L96 H143 L144 S149 I150 L151L96-I147 HydrophobicContact CD1-CB 4.08Å; L96-I147 HydrophobicContact CD1-CG2 3.53Å; H143-I147 VanDerWaalsContact O-CG1 3.25Å; H143-I147 WeakPolarHBondContact O-CG1 3.3Å; H143-I147 PolarHBondContact O-N 3.25Å; L144-I147 PolarHBondContact O-N 3.45Å; I147-S149 VanDerWaalsContact C-N 3.28Å; I147-S149 PolarHBondContact O-N 3.13Å; I147-I150 PolarHBondContact O-N 3.47Å; I147-L151 HydrophobicContact CG2-CD1 3.96Å; I147-L151 HydrophobicContact CG2-CG 4.16Å; I147-L151 WeakPolarHBondContact O-CB 3.33Å; I147-L151 VanDerWaalsContact O-CG 3.27Å; I147-L151 WeakPolarHBondContact O-CG 3.31Å; I147-L151 PolarHBondContact O-N 3.47Å
148S98.7Very high98.6Very high4 Ų423.4 Ų23.43%0.02813%0.127CC..Hα-helixtrans-50.5-50.5173.8175.80000111.3S93 L144 A145 G146 L151 G152S93-S148 WeakPolarHBondContact CB-O 3.43Å; S93-S148 VanDerWaalsContact O-CB 3.24Å; S93-S148 WeakPolarHBondContact O-CB 3.27Å; S93-S148 PolarHBondContact O-OG 2.97Å; L144-S148 PolarHBondContact O-N 3.25Å; A145-S148 WeakPolarHBondContact O-CB 3.18Å; A145-S148 PolarHBondContact O-N 3.36Å; G146-S148 VanDerWaalsContact C-N 3.34Å; G146-S148 PolarHBondContact O-N 3.24Å; S148-L151 PolarHBondContact O-N 2.72Å; S148-G152 PolarHBondContact O-N 2.94Å
149S98.3Very high98.6Very high21 Ų2123.2 Ų23.215%0.14713%0.125CC..Hα-helixtrans-68.8-39.7-177.3-59.20000113.1A145 G146 I147 G152 A153 L191A145-S149 PolarHBondContact O-N 2.98Å; A145-S149 VanDerWaalsContact O-N 3.09Å; A145-S149 PolarHBondContact O-OG 2.87Å; A145-S149 VanDerWaalsContact O-OG 3.06Å; G146-S149 PolarHBondContact O-N 3.2Å; I147-S149 VanDerWaalsContact C-N 3.28Å; I147-S149 PolarHBondContact O-N 3.13Å; S149-G152 PolarHBondContact O-N 3.16Å; S149-A153 WeakPolarHBondContact O-CB 3.27Å; S149-A153 PolarHBondContact O-N 3.47Å; S149-L191 VanDerWaalsContact CB-CD1 3.49Å
150I98.6Very high98.6Very high44 Ų4423.2 Ų23.223%0.22613%0.125CC..Hα-helixtrans-63.4-46.1175.1-69.3168.2000110.9G146 I147 G152 A153 V154 L188 L191 P192G146-I150 WeakPolarHBondContact O-CG1 3.38Å; G146-I150 PolarHBondContact O-N 3.44Å; I147-I150 PolarHBondContact O-N 3.47Å; I150-G152 VanDerWaalsContact C-N 3.31Å; I150-G152 PolarHBondContact O-N 3.2Å; I150-A153 PolarHBondContact O-N 3.35Å; I150-V154 HydrophobicContact CG2-CG2 4.5Å; I150-V154 WeakPolarHBondContact O-CG2 3.4Å; I150-V154 PolarHBondContact O-N 3.28Å; I150-L188 HydrophobicContact CG2-CD1 4.01Å; I150-L191 HydrophobicContact CD1-CB 3.91Å; I150-L191 HydrophobicContact CG1-CB 3.89Å; I150-L191 HydrophobicContact CG1-CD1 3.8Å; I150-P192 HydrophobicContact CD1-CG 4.43Å
151L98.7Very high98.6Very high34 Ų3422.8 Ų22.818%0.17813%0.126CC..Hα-helixtrans-61.5-41.7177.4-68.3-179.6000111.3M89 M92 L96 I147 S148 N155M89-L151 HydrophobicContact CG-CB 3.94Å; M89-L151 HydrophobicContact CG-CD1 4.48Å; M89-L151 HydrophobicContact CG-CD2 3.88Å; M89-L151 HydrophobicContact CG-CG 4.31Å; M89-L151 HydrophobicContact SD-CB 4.36Å; M89-L151 HydrophobicContact SD-CD2 3.98Å; M92-L151 HydrophobicContact CE-CD1 4.41Å; M92-L151 HydrophobicContact CG-CD1 4.12Å; M92-L151 HydrophobicContact SD-CD1 4.12Å; L96-L151 HydrophobicContact CD1-CD1 4.06Å; I147-L151 HydrophobicContact CG2-CD1 3.96Å; I147-L151 HydrophobicContact CG2-CG 4.16Å; I147-L151 WeakPolarHBondContact O-CB 3.33Å; I147-L151 VanDerWaalsContact O-CG 3.27Å; I147-L151 WeakPolarHBondContact O-CG 3.31Å; I147-L151 PolarHBondContact O-N 3.47Å; S148-L151 PolarHBondContact O-N 2.72Å; L151-N155 WeakPolarHBondContact O-CB 3.47Å; L151-N155 PolarHBondContact O-N 2.99Å; L151-N155 VanDerWaalsContact O-N 3.17Å
152G98.4Very high98.5Very high6 Ų628.3 Ų28.36%0.06216%0.156CC..Hα-helixtrans-59.7-49.3172.700000112.1S148 S149 I150 V154 N155 F156S148-G152 PolarHBondContact O-N 2.94Å; S149-G152 PolarHBondContact O-N 3.16Å; I150-G152 VanDerWaalsContact C-N 3.31Å; I150-G152 PolarHBondContact O-N 3.2Å; G152-V154 PolarHBondContact O-N 2.93Å; G152-N155 WeakPolarHBondContact O-CB 3.36Å; G152-N155 PolarHBondContact O-N 3.34Å; G152-F156 WeakPolarHBondContact O-CD2 3.24Å; G152-F156 PolarHBondContact O-N 3.13Å
153A98.6Very high98.5Very high1 Ų130.6 Ų30.61%0.00817%0.167CC..Hα-helixtrans-58.9-49.2-179.600000112.8S149 I150 N155 F156 I157 A184 L187 L188S149-A153 WeakPolarHBondContact O-CB 3.27Å; S149-A153 PolarHBondContact O-N 3.47Å; I150-A153 PolarHBondContact O-N 3.35Å; A153-N155 VanDerWaalsContact C-N 3.26Å; A153-N155 PolarHBondContact O-N 2.81Å; A153-F156 PolarHBondContact O-N 2.93Å; A153-I157 WeakPolarHBondContact O-CD1 3.4Å; A153-I157 VanDerWaalsContact O-CG1 3.29Å; A153-I157 WeakPolarHBondContact O-CG1 3.37Å; A153-I157 PolarHBondContact O-N 2.86Å; A153-A184 HydrophobicContact CB-CB 3.98Å; A153-A184 WeakPolarHBondContact CB-O 3.48Å; A153-L187 HydrophobicContact CB-CB 4.33Å; A153-L188 HydrophobicContact CB-CB 4.39Å
154V98.8Very high98.4Very high45 Ų4532.2 Ų32.227%0.27317%0.171SC..Hα-helixtrans-57.8-42.4176.4171.60000110.9F86 M89 I150 G152 T158 L188F86-V154 HydrophobicContact CE2-CG1 4.25Å; M89-V154 HydrophobicContact SD-CG1 4.47Å; I150-V154 HydrophobicContact CG2-CG2 4.5Å; I150-V154 WeakPolarHBondContact O-CG2 3.4Å; I150-V154 PolarHBondContact O-N 3.28Å; G152-V154 PolarHBondContact O-N 2.93Å; V154-T158 WeakPolarHBondContact O-CB 3.46Å; V154-T158 PolarHBondContact O-N 3.43Å; V154-T158 PolarHBondContact O-OG1 2.98Å; V154-L188 HydrophobicContact CG2-CD1 3.78Å; V154-L188 HydrophobicContact CG2-CD2 4.44Å
155N98.7Very high98.3Very high0 Ų032.5 Ų32.50%018%0.177CC..Hα-helixtrans-67.9-43.1179-170.924.6000112.4M84 A85 F86 N90 L151 G152 A153 T158 T159M84-N155 HydrophobicContact CE-CB 4.39Å; M84-N155 WeakPolarHBondContact CE-ND2 3.35Å; A85-N155 PolarHBondContact N-OD1 2.98Å; F86-N155 HydrophobicContact CD2-CB 4.3Å; F86-N155 PolarHBondContact N-OD1 3.46Å; N90-N155 WeakPolarHBondContact CB-ND2 3.48Å; L151-N155 WeakPolarHBondContact O-CB 3.47Å; L151-N155 PolarHBondContact O-N 2.99Å; L151-N155 VanDerWaalsContact O-N 3.17Å; G152-N155 WeakPolarHBondContact O-CB 3.36Å; G152-N155 PolarHBondContact O-N 3.34Å; A153-N155 VanDerWaalsContact C-N 3.26Å; A153-N155 PolarHBondContact O-N 2.81Å; N155-T158 PolarHBondContact O-N 2.88Å; N155-T159 VanDerWaalsContact O-CB 3.29Å; N155-T159 WeakPolarHBondContact O-CB 3.18Å; N155-T159 PolarHBondContact O-N 3.25Å; N155-T159 PolarHBondContact O-OG1 2.91Å
156F98.8Very high98.1Very high2 Ų239.8 Ų39.81%0.00922%0.222CC..Hα-helixtrans-61.2-50.2174.9-78.5-58.7000111.9I67 G71 V75 M84 G152 A153 T158 T159 V160 V180 A184I67-F156 HydrophobicContact CG2-CD2 4.22Å; I67-F156 HydrophobicContact CG2-CE2 3.76Å; I67-F156 WeakPolarHBondContact O-CE2 3.22Å; I67-F156 VanDerWaalsContact O-CZ 3.28Å; I67-F156 WeakPolarHBondContact O-CZ 3.44Å; G71-F156 WeakPolarHBondContact O-CE1 3.45Å; V75-F156 HydrophobicContact CB-CD1 4.48Å; V75-F156 HydrophobicContact CB-CE1 4.38Å; V75-F156 HydrophobicContact CG1-CD1 4.46Å; V75-F156 HydrophobicContact CG2-CD1 4.4Å; V75-F156 HydrophobicContact CG2-CE1 4.31Å; M84-F156 HydrophobicContact CE-CD1 3.46Å; M84-F156 VanDerWaalsContact CE-CD1 3.46Å; M84-F156 HydrophobicContact CE-CE1 3.48Å; M84-F156 VanDerWaalsContact CE-CE1 3.48Å; M84-F156 HydrophobicContact CE-CG 4.11Å; M84-F156 HydrophobicContact CE-CZ 4.2Å; M84-F156 HydrophobicContact SD-CD1 4.46Å; M84-F156 HydrophobicContact SD-CE1 4.22Å; G152-F156 WeakPolarHBondContact O-CD2 3.24Å; G152-F156 PolarHBondContact O-N 3.13Å; A153-F156 PolarHBondContact O-N 2.93Å; F156-T158 VanDerWaalsContact C-N 3.3Å; F156-T158 PolarHBondContact O-N 3.21Å; F156-T159 PolarHBondContact O-N 2.97Å; F156-V160 WeakPolarHBondContact O-CB 3.24Å; F156-V160 VanDerWaalsContact O-CG2 3.27Å; F156-V160 WeakPolarHBondContact O-CG2 3.47Å; F156-V160 PolarHBondContact O-N 3.39Å; F156-V180 HydrophobicContact CB-CG1 4.29Å; F156-V180 HydrophobicContact CD1-CG1 3.8Å; F156-V180 HydrophobicContact CD2-CG1 4.22Å; F156-V180 HydrophobicContact CE1-CG1 4.23Å; F156-V180 HydrophobicContact CG-CG1 3.84Å; F156-A184 HydrophobicContact CB-CB 4.13Å
157I98.7Very high97.8Very high25 Ų2542.1 Ų42.113%0.12825%0.246CC..Hα-helixtrans-56.2-48.2178.7-68.6162.6000110A153 T159 V160 I161 A184 L185 L188A153-I157 WeakPolarHBondContact O-CD1 3.4Å; A153-I157 VanDerWaalsContact O-CG1 3.29Å; A153-I157 WeakPolarHBondContact O-CG1 3.37Å; A153-I157 PolarHBondContact O-N 2.86Å; I157-T159 PolarHBondContact O-N 3.46Å; I157-V160 PolarHBondContact O-N 2.9Å; I157-I161 HydrophobicContact CG2-CD1 3.62Å; I157-I161 HydrophobicContact CG2-CG1 4.47Å; I157-I161 WeakPolarHBondContact O-CB 3.45Å; I157-I161 VanDerWaalsContact O-CG1 3.24Å; I157-I161 WeakPolarHBondContact O-CG1 3.13Å; I157-I161 PolarHBondContact O-N 3.21Å; I157-A184 HydrophobicContact CD1-CB 4.17Å; I157-A184 HydrophobicContact CG1-CB 3.85Å; I157-L185 HydrophobicContact CD1-CD2 3.81Å; I157-L185 HydrophobicContact CD1-CG 4.19Å; I157-L185 HydrophobicContact CG1-CD2 4.33Å; I157-L185 HydrophobicContact CG1-CG 4.42Å; I157-L188 HydrophobicContact CD1-CD2 3.84Å
158T98.7Very high97.7Very high32 Ų3240.4 Ų40.420%0.19624%0.237CC..Hα-helixtrans-65.5-42.2-178.5-54.30000112A85 F86 V154 N155 F156 I161 N162A85-T158 HydrophobicContact CB-CG2 3.68Å; F86-T158 HydrophobicContact CE2-CG2 3.71Å; F86-T158 WeakPolarHBondContact CE2-OG1 3.43Å; F86-T158 HydrophobicContact CZ-CG2 3.72Å; V154-T158 WeakPolarHBondContact O-CB 3.46Å; V154-T158 PolarHBondContact O-N 3.43Å; V154-T158 PolarHBondContact O-OG1 2.98Å; N155-T158 PolarHBondContact O-N 2.88Å; F156-T158 VanDerWaalsContact C-N 3.3Å; F156-T158 PolarHBondContact O-N 3.21Å; T158-I161 PolarHBondContact O-N 3.18Å; T158-N162 WeakPolarHBondContact O-CB 3.33Å; T158-N162 PolarHBondContact O-N 3.44Å; T158-N162 PolarHBondContact O-ND2 2.93Å; T158-N162 VanDerWaalsContact O-ND2 3.1Å
159T98.4Very high97.5Very high0 Ų042.4 Ų42.40%025%0.251CS..Hα-helixtrans-62.9-49.9178-56.80000110.5M84 A85 N155 F156 I157 I161 N162 M163M84-T159 HydrophobicContact SD-CG2 4.07Å; A85-T159 WeakPolarHBondContact CB-OG1 3.45Å; A85-T159 PolarHBondContact N-OG1 3.11Å; N155-T159 VanDerWaalsContact O-CB 3.29Å; N155-T159 WeakPolarHBondContact O-CB 3.18Å; N155-T159 PolarHBondContact O-N 3.25Å; N155-T159 PolarHBondContact O-OG1 2.91Å; F156-T159 PolarHBondContact O-N 2.97Å; I157-T159 PolarHBondContact O-N 3.46Å; T159-I161 VanDerWaalsContact C-N 3.33Å; T159-I161 PolarHBondContact O-N 3.16Å; T159-N162 PolarHBondContact O-N 2.97Å; T159-M163 HydrophobicContact CG2-CB 4.32Å; T159-M163 HydrophobicContact CG2-SD 4.15Å; T159-M163 WeakPolarHBondContact O-CB 3.3Å; T159-M163 PolarHBondContact O-N 3.19Å
160V98.3Very high97.4Very high2 Ų245.4 Ų45.41%0.01227%0.265CS..Hα-helixtrans-63.9-39.5-178.9176.10000111V75 L79 F156 I157 R164 M173 V177 V181V75-V160 HydrophobicContact CG1-CG2 3.77Å; L79-V160 HydrophobicContact CD1-CB 4.27Å; L79-V160 HydrophobicContact CD1-CG2 4Å; F156-V160 WeakPolarHBondContact O-CB 3.24Å; F156-V160 VanDerWaalsContact O-CG2 3.27Å; F156-V160 WeakPolarHBondContact O-CG2 3.47Å; F156-V160 PolarHBondContact O-N 3.39Å; I157-V160 PolarHBondContact O-N 2.9Å; V160-R164 WeakPolarHBondContact O-CD 3.22Å; V160-R164 WeakPolarHBondContact O-CG 3.29Å; V160-R164 PolarHBondContact O-NH1 3.32Å; V160-M173 HydrophobicContact CG1-CE 4.11Å; V160-M173 HydrophobicContact CG1-SD 3.57Å; V160-M173 VanDerWaalsContact CG1-SD 3.57Å; V160-V177 HydrophobicContact CB-CG1 4.49Å; V160-V177 HydrophobicContact CG1-CG1 3.87Å; V160-V177 HydrophobicContact CG2-CG1 3.75Å; V160-V181 HydrophobicContact CB-CG2 3.65Å; V160-V181 HydrophobicContact CG1-CB 4.39Å; V160-V181 HydrophobicContact CG1-CG2 3.7Å; V160-V181 HydrophobicContact CG2-CG2 3.82Å
161I97.6Very high97.3Very high89 Ų8949.2 Ų49.246%0.45629%0.286SS..Hα-helixtrans-71.3-42.8-178.8-69.3174.1000112.2I157 T158 T159 R164I157-I161 HydrophobicContact CG2-CD1 3.62Å; I157-I161 HydrophobicContact CG2-CG1 4.47Å; I157-I161 WeakPolarHBondContact O-CB 3.45Å; I157-I161 VanDerWaalsContact O-CG1 3.24Å; I157-I161 WeakPolarHBondContact O-CG1 3.13Å; I157-I161 PolarHBondContact O-N 3.21Å; T158-I161 PolarHBondContact O-N 3.18Å; T159-I161 VanDerWaalsContact C-N 3.33Å; T159-I161 PolarHBondContact O-N 3.16Å; I161-R164 VanDerWaalsContact CA-NH1 3.3Å; I161-R164 PolarHBondContact O-NH1 3.26Å; I161-R164 PolarHBondContact O-NH2 3.16Å
162N97.9Very high97.1Very high116 Ų11656.1 Ų56.162%0.6231%0.31SS*.Hα-helixtrans-108.6-17.1-163.8-63.2-60.4000115.4T158 T159T158-N162 WeakPolarHBondContact O-CB 3.33Å; T158-N162 PolarHBondContact O-N 3.44Å; T158-N162 PolarHBondContact O-ND2 2.93Å; T158-N162 VanDerWaalsContact O-ND2 3.1Å; T159-N162 PolarHBondContact O-N 2.97Å
163M97.9Very high97.1Very high55 Ų5556.3 Ų56.327%0.27131%0.309SS..  trans-113.714.2-169-57.5-172.370.200114.5A81 P82 D83 A85 T159A81-M163 HydrophobicContact CB-CB 3.95Å; A81-M163 WeakPolarHBondContact CB-O 3.36Å; P82-M163 HydrophobicContact CG-CE 4.28Å; D83-M163 WeakPolarHBondContact O-CE 3.34Å; A85-M163 WeakPolarHBondContact CA-SD 3.16Å; A85-M163 HydrophobicContact CB-SD 3.7Å; A85-M163 PolarHBondContact N-SD 2.7Å; T159-M163 HydrophobicContact CG2-CB 4.32Å; T159-M163 HydrophobicContact CG2-SD 4.15Å; T159-M163 WeakPolarHBondContact O-CB 3.3Å; T159-M163 PolarHBondContact O-N 3.19Å
164R97.3Very high97.1Very high70 Ų7058.6 Ų58.626%0.26432%0.324SS..PPolyproline II helixtrans-66.7140.4175.9-54.7-172.2-66-83.1-14110.8L79 V160 I161 I168 L170 M173L79-R164 HydrophobicContact CD1-CG 4.28Å; L79-R164 HydrophobicContact CD2-CG 3.81Å; L79-R164 HydrophobicContact CG-CG 4.49Å; V160-R164 WeakPolarHBondContact O-CD 3.22Å; V160-R164 WeakPolarHBondContact O-CG 3.29Å; V160-R164 PolarHBondContact O-NH1 3.32Å; I161-R164 VanDerWaalsContact CA-NH1 3.3Å; I161-R164 PolarHBondContact O-NH1 3.26Å; I161-R164 PolarHBondContact O-NH2 3.16Å; R164-I168 HydrophobicContact CB-CB 4.35Å; R164-I168 PolarHBondContact NE-O 3.27Å; R164-L170 VanDerWaalsContact NH1-CD2 3.33Å; R164-M173 VanDerWaalsContact CD-SD 3.55Å
165S96Very high97Very high50 Ų5063.6 Ų63.635%0.3535%0.348SS..PPolyproline II helixtrans-63.8152.7171.866.50000111.9L79 G167 I168L79-S165 PolarHBondContact O-N 2.99Å; L79-S165 PolarHBondContact O-OG 3.5Å; S165-G167 PolarHBondContact O-N 2.84Å; S165-I168 PolarHBondContact O-N 3.15Å; S165-I168 VanDerWaalsContact O-N 3.11Å; S165-I168 WeakPolarHBondContact OG-CD1 3.3Å; S165-I168 WeakPolarHBondContact OG-CG1 3.37Å
166T94.4Very high97Very high154 Ų15466.2 Ų66.295%0.94536%0.36SS*.THydrogen-bonded Turntrans-52.6131.1174.1-49.60000110.9
167G92.3Very high97Very high58 Ų5866.1 Ų66.160%0.59836%0.359SS*.THydrogen-bonded Turntrans94.4-12.2-178.800000115.3S165 S169S165-G167 PolarHBondContact O-N 2.84Å; G167-S169 PolarHBondContact O-N 3.18Å
168I96.4Very high97Very high40 Ų4069.1 Ų69.121%0.20537%0.369CS..  trans-91.388.2168.9-55.1-178.9000109R164 S165 M173R164-I168 HydrophobicContact CB-CB 4.35Å; R164-I168 PolarHBondContact NE-O 3.27Å; S165-I168 PolarHBondContact O-N 3.15Å; S165-I168 VanDerWaalsContact O-N 3.11Å; S165-I168 WeakPolarHBondContact OG-CD1 3.3Å; S165-I168 WeakPolarHBondContact OG-CG1 3.37Å; I168-M173 HydrophobicContact CG2-CG 3.93Å
169S95.5Very high97Very high46 Ų4670.2 Ų70.232%0.32238%0.378SS..  trans-72.9163.7165.654.70000110.9G167 D171 R172 M173G167-S169 PolarHBondContact O-N 3.18Å; S169-D171 VanDerWaalsContact C-N 3.3Å; S169-D171 WeakPolarHBondContact CB-OD1 3.45Å; S169-D171 PolarHBondContact O-N 3.2Å; S169-D171 PolarHBondContact OG-OD1 2.71Å; S169-R172 PolarHBondContact O-N 2.94Å; S169-R172 WeakPolarHBondContact OG-CD 3.39Å; S169-R172 WeakPolarHBondContact OG-CG 3.29Å; S169-M173 PolarHBondContact O-N 3.39Å
170L95.4Very high97Very high84 Ų8470.4 Ų70.444%0.4438%0.379SS..G310 helixtrans-58-41.9-175.8-73.6172.2000112.5R164 R172 M173 W178R164-L170 VanDerWaalsContact NH1-CD2 3.33Å; L170-R172 PolarHBondContact O-N 2.95Å; L170-M173 HydrophobicContact CB-CE 4.38Å; L170-M173 HydrophobicContact CD2-CE 3.48Å; L170-M173 VanDerWaalsContact CD2-CE 3.48Å; L170-M173 HydrophobicContact CD2-SD 3.91Å; L170-M173 PolarHBondContact O-N 3.01Å; L170-W178 HydrophobicContact CB-CZ2 4.18Å; L170-W178 VanDerWaalsContact O-CZ2 3.25Å; L170-W178 WeakPolarHBondContact O-CZ2 3.4Å; L170-W178 PolarHBondContact O-NE1 3.29Å
171D95.9Very high97Very high125 Ų12570.9 Ų70.967%0.66838%0.382SS*.G310 helixtrans-64-17.3176.861.2-51.9000113.7S169S169-D171 VanDerWaalsContact C-N 3.3Å; S169-D171 WeakPolarHBondContact CB-OD1 3.45Å; S169-D171 PolarHBondContact O-N 3.2Å; S169-D171 PolarHBondContact OG-OD1 2.71Å
172R95.9Very high97Very high179 Ų17970.9 Ų70.968%0.67538%0.382SS*.G310 helixtrans-105.22.8-179.6-62.3-178.4-177.7-169-2.1113.6S169 L170S169-R172 PolarHBondContact O-N 2.94Å; S169-R172 WeakPolarHBondContact OG-CD 3.39Å; S169-R172 WeakPolarHBondContact OG-CG 3.29Å; L170-R172 PolarHBondContact O-N 2.95Å
173M97.5Very high97Very high9 Ų967.7 Ų67.74%0.04437%0.367CS..SBendtrans-66.4142.9176.8-66.5-171.3-57.500111.1L79 V160 R164 I168 S169 L170 V177 W178L79-M173 HydrophobicContact CD2-CG 4.38Å; L79-M173 HydrophobicContact CD2-SD 4.34Å; V160-M173 HydrophobicContact CG1-CE 4.11Å; V160-M173 HydrophobicContact CG1-SD 3.57Å; V160-M173 VanDerWaalsContact CG1-SD 3.57Å; R164-M173 VanDerWaalsContact CD-SD 3.55Å; I168-M173 HydrophobicContact CG2-CG 3.93Å; S169-M173 PolarHBondContact O-N 3.39Å; L170-M173 HydrophobicContact CB-CE 4.38Å; L170-M173 HydrophobicContact CD2-CE 3.48Å; L170-M173 VanDerWaalsContact CD2-CE 3.48Å; L170-M173 HydrophobicContact CD2-SD 3.91Å; L170-M173 PolarHBondContact O-N 3.01Å; M173-V177 HydrophobicContact SD-CG1 4.25Å; M173-W178 HydrophobicContact CE-CD2 3.79Å; M173-W178 HydrophobicContact CE-CE3 4.25Å; M173-W178 HydrophobicContact CE-CG 4.32Å; M173-W178 HydrophobicContact CE-CH2 4.04Å; M173-W178 HydrophobicContact CE-CZ2 3.55Å; M173-W178 HydrophobicContact CE-CZ3 4.36Å
174P97.9Very high97Very high49 Ų4965.1 Ų65.132%0.31835%0.354SS..  trans-56.7145173.7-27.137.6000112.3M78 F176 V177 W178M78-P174 HydrophobicContact CB-CG 4.19Å; M78-P174 HydrophobicContact SD-CB 4.25Å; P174-F176 PolarHBondContact O-N 2.76Å; P174-V177 HydrophobicContact CB-CG2 4.29Å; P174-V177 HydrophobicContact CG-CG2 4.44Å; P174-V177 WeakPolarHBondContact O-CB 3.49Å; P174-V177 PolarHBondContact O-N 3Å; P174-W178 PolarHBondContact O-N 2.9Å; P174-W178 VanDerWaalsContact O-N 3.12Å
175L98.3Very high97.1Very high151 Ų15165.7 Ų65.779%0.79136%0.362SS*.Hα-helixtrans-57.7-33.9-177.4-67.4177.4000113.2W178 S179L175-W178 WeakPolarHBondContact O-CB 3.37Å; L175-W178 PolarHBondContact O-N 3.33Å; L175-S179 PolarHBondContact O-N 2.94Å
176F98.4Very high97.2Very high54 Ų5467 Ų6724%0.23737%0.365CS..Hα-helixtrans-64.1-38.7174.6178.6-101000112.6F70 L74 V75 M78 P174 W178 S179 V180F70-F176 HydrophobicContact CB-CE2 4.33Å; F70-F176 HydrophobicContact CB-CZ 3.75Å; L74-F176 HydrophobicContact CB-CD1 4.22Å; L74-F176 HydrophobicContact CB-CE1 3.79Å; L74-F176 HydrophobicContact CD1-CD1 4.45Å; L74-F176 HydrophobicContact CD1-CE1 4.07Å; L74-F176 HydrophobicContact CD1-CZ 4.32Å; V75-F176 HydrophobicContact CG2-CE1 4.05Å; M78-F176 HydrophobicContact CE-CB 4.39Å; M78-F176 HydrophobicContact CE-CD1 4.15Å; M78-F176 HydrophobicContact CE-CG 4.5Å; M78-F176 HydrophobicContact SD-CB 4.08Å; M78-F176 HydrophobicContact SD-CD1 3.7Å; M78-F176 HydrophobicContact SD-CG 4.3Å; P174-F176 PolarHBondContact O-N 2.76Å; F176-W178 VanDerWaalsContact C-N 3.32Å; F176-S179 WeakPolarHBondContact CA-OG 3.49Å; F176-S179 PolarHBondContact O-N 2.89Å; F176-S179 PolarHBondContact O-OG 3.24Å; F176-V180 HydrophobicContact CD1-CG2 4.37Å; F176-V180 HydrophobicContact CE1-CG2 3.83Å; F176-V180 HydrophobicContact CE2-CG2 4.09Å; F176-V180 HydrophobicContact CZ-CG2 3.66Å; F176-V180 WeakPolarHBondContact O-CG2 3.25Å; F176-V180 PolarHBondContact O-N 3.43Å
177V98.5Very high97.3Very high0 Ų060 Ų600%032%0.321CS..Hα-helixtrans-67.1-39.4176.1179.30000110.2V75 M78 L79 V160 M173 P174 V180 V181V75-V177 HydrophobicContact CG1-CG1 4.34Å; M78-V177 HydrophobicContact CB-CG2 3.71Å; M78-V177 HydrophobicContact SD-CG2 4.06Å; L79-V177 HydrophobicContact CD1-CG1 4.25Å; L79-V177 HydrophobicContact CD2-CG1 3.97Å; L79-V177 HydrophobicContact CD2-CG2 4.39Å; L79-V177 HydrophobicContact CG-CG1 4.22Å; L79-V177 HydrophobicContact CG-CG2 4.43Å; V160-V177 HydrophobicContact CB-CG1 4.49Å; V160-V177 HydrophobicContact CG1-CG1 3.87Å; V160-V177 HydrophobicContact CG2-CG1 3.75Å; M173-V177 HydrophobicContact SD-CG1 4.25Å; P174-V177 HydrophobicContact CB-CG2 4.29Å; P174-V177 HydrophobicContact CG-CG2 4.44Å; P174-V177 WeakPolarHBondContact O-CB 3.49Å; P174-V177 PolarHBondContact O-N 3Å; V177-V180 PolarHBondContact O-N 2.99Å; V177-V181 PolarHBondContact O-N 3.28Å
178W98.4Very high97.6Very high88 Ų8859.9 Ų59.933%0.33331%0.307SS..Hα-helixtrans-59.7-47172.4-90.4113.6000112.5L170 M173 P174 L175 F176 V180 V181 I182L170-W178 HydrophobicContact CB-CZ2 4.18Å; L170-W178 VanDerWaalsContact O-CZ2 3.25Å; L170-W178 WeakPolarHBondContact O-CZ2 3.4Å; L170-W178 PolarHBondContact O-NE1 3.29Å; M173-W178 HydrophobicContact CE-CD2 3.79Å; M173-W178 HydrophobicContact CE-CE3 4.25Å; M173-W178 HydrophobicContact CE-CG 4.32Å; M173-W178 HydrophobicContact CE-CH2 4.04Å; M173-W178 HydrophobicContact CE-CZ2 3.55Å; M173-W178 HydrophobicContact CE-CZ3 4.36Å; P174-W178 PolarHBondContact O-N 2.9Å; P174-W178 VanDerWaalsContact O-N 3.12Å; L175-W178 WeakPolarHBondContact O-CB 3.37Å; L175-W178 PolarHBondContact O-N 3.33Å; F176-W178 VanDerWaalsContact C-N 3.32Å; W178-V180 VanDerWaalsContact C-N 3.34Å; W178-V180 PolarHBondContact O-N 2.81Å; W178-V181 HydrophobicContact CE3-CG1 4.13Å; W178-V181 HydrophobicContact CZ3-CG1 4.33Å; W178-V181 PolarHBondContact O-N 3.17Å; W178-I182 WeakPolarHBondContact O-CG1 3.25Å; W178-I182 PolarHBondContact O-N 3.29Å
179S98.3Very high97.6Very high56 Ų5664 Ų6439%0.39233%0.329SS..Hα-helixtrans-61-44.1178.363.50000111.3L175 F176 V181 I182 T183L175-S179 PolarHBondContact O-N 2.94Å; F176-S179 WeakPolarHBondContact CA-OG 3.49Å; F176-S179 PolarHBondContact O-N 2.89Å; F176-S179 PolarHBondContact O-OG 3.24Å; S179-V181 PolarHBondContact O-N 3.27Å; S179-I182 PolarHBondContact O-N 3.44Å; S179-T183 PolarHBondContact O-N 3.36Å; S179-T183 PolarHBondContact O-OG1 3.38Å; S179-T183 VanDerWaalsContact O-OG1 3.09Å
180V98.4Very high97.7Very high3 Ų362 Ų622%0.01832%0.315CS..Hα-helixtrans-62.7-41177.8173.90000111.7V75 F156 F176 V177 W178 T183 A184V75-V180 HydrophobicContact CG2-CB 4.14Å; V75-V180 HydrophobicContact CG2-CG1 4.04Å; V75-V180 HydrophobicContact CG2-CG2 4.07Å; F156-V180 HydrophobicContact CB-CG1 4.29Å; F156-V180 HydrophobicContact CD1-CG1 3.8Å; F156-V180 HydrophobicContact CD2-CG1 4.22Å; F156-V180 HydrophobicContact CE1-CG1 4.23Å; F156-V180 HydrophobicContact CG-CG1 3.84Å; F176-V180 HydrophobicContact CD1-CG2 4.37Å; F176-V180 HydrophobicContact CE1-CG2 3.83Å; F176-V180 HydrophobicContact CE2-CG2 4.09Å; F176-V180 HydrophobicContact CZ-CG2 3.66Å; F176-V180 WeakPolarHBondContact O-CG2 3.25Å; F176-V180 PolarHBondContact O-N 3.43Å; V177-V180 PolarHBondContact O-N 2.99Å; W178-V180 VanDerWaalsContact C-N 3.34Å; W178-V180 PolarHBondContact O-N 2.81Å; V180-T183 PolarHBondContact O-N 3.08Å; V180-A184 VanDerWaalsContact O-CB 3.29Å; V180-A184 WeakPolarHBondContact O-CB 3.41Å; V180-A184 PolarHBondContact O-N 3.35Å
181V97.9Very high97.8Very high13 Ų1358.2 Ų58.28%0.07930%0.295CS..Hα-helixtrans-68.2-37.8179.4116.60000112.2V160 V177 W178 S179 A184 L185V160-V181 HydrophobicContact CB-CG2 3.65Å; V160-V181 HydrophobicContact CG1-CB 4.39Å; V160-V181 HydrophobicContact CG1-CG2 3.7Å; V160-V181 HydrophobicContact CG2-CG2 3.82Å; V177-V181 PolarHBondContact O-N 3.28Å; W178-V181 HydrophobicContact CE3-CG1 4.13Å; W178-V181 HydrophobicContact CZ3-CG1 4.33Å; W178-V181 PolarHBondContact O-N 3.17Å; S179-V181 PolarHBondContact O-N 3.27Å; V181-A184 PolarHBondContact O-N 3.05Å; V181-L185 WeakPolarHBondContact O-CG 3.35Å; V181-L185 PolarHBondContact O-N 3.22Å
182I98.4Very high97.9Very high89 Ų8955.4 Ų55.446%0.45628%0.284SS..Hα-helixtrans-65.4-48.5176.3-68.3167.9000109.6W178 S179 A184 L185 L186W178-I182 WeakPolarHBondContact O-CG1 3.25Å; W178-I182 PolarHBondContact O-N 3.29Å; S179-I182 PolarHBondContact O-N 3.44Å; I182-A184 VanDerWaalsContact C-N 3.32Å; I182-A184 PolarHBondContact O-N 3.27Å; I182-L185 PolarHBondContact O-N 2.92Å; I182-L186 HydrophobicContact CG2-CD1 4.24Å; I182-L186 WeakPolarHBondContact O-CG 3.41Å; I182-L186 PolarHBondContact O-N 3.5Å
183T98.3Very high98Very high49 Ų4948.7 Ų48.730%0.30126%0.262SS..Hα-helixtrans-58.5-43.8175.5-56.90000111.5I67 S179 V180 L185 L186 L187I67-T183 HydrophobicContact CD1-CG2 3.66Å; I67-T183 HydrophobicContact CG1-CG2 4.08Å; S179-T183 PolarHBondContact O-N 3.36Å; S179-T183 PolarHBondContact O-OG1 3.38Å; S179-T183 VanDerWaalsContact O-OG1 3.09Å; V180-T183 PolarHBondContact O-N 3.08Å; T183-L185 VanDerWaalsContact C-N 3.32Å; T183-L185 PolarHBondContact O-N 3.42Å; T183-L186 PolarHBondContact O-N 3.2Å; T183-L187 HydrophobicContact CG2-CD1 3.96Å; T183-L187 HydrophobicContact CG2-CG 4.16Å; T183-L187 WeakPolarHBondContact O-CB 3.32Å; T183-L187 VanDerWaalsContact O-CG 3.3Å; T183-L187 WeakPolarHBondContact O-CG 3.23Å; T183-L187 PolarHBondContact O-N 3.13Å
184A98.2Very high98Very high0 Ų048.5 Ų48.50%026%0.261CS..Hα-helixtrans-60.3-39.9177.400000112.6A153 F156 I157 V180 V181 I182 L188A153-A184 HydrophobicContact CB-CB 3.98Å; A153-A184 WeakPolarHBondContact CB-O 3.48Å; F156-A184 HydrophobicContact CB-CB 4.13Å; I157-A184 HydrophobicContact CD1-CB 4.17Å; I157-A184 HydrophobicContact CG1-CB 3.85Å; V180-A184 VanDerWaalsContact O-CB 3.29Å; V180-A184 WeakPolarHBondContact O-CB 3.41Å; V180-A184 PolarHBondContact O-N 3.35Å; V181-A184 PolarHBondContact O-N 3.05Å; I182-A184 VanDerWaalsContact C-N 3.32Å; I182-A184 PolarHBondContact O-N 3.27Å; A184-L188 WeakPolarHBondContact O-CB 3.43Å; A184-L188 PolarHBondContact O-N 3.17Å
185L98.5Very high98Very high82 Ų8247.6 Ų47.643%0.42926%0.258SS..Hα-helixtrans-64.7-44.1174.8-74.2167.8000111.8I157 V181 I182 T183 L188 L189I157-L185 HydrophobicContact CD1-CD2 3.81Å; I157-L185 HydrophobicContact CD1-CG 4.19Å; I157-L185 HydrophobicContact CG1-CD2 4.33Å; I157-L185 HydrophobicContact CG1-CG 4.42Å; V181-L185 WeakPolarHBondContact O-CG 3.35Å; V181-L185 PolarHBondContact O-N 3.22Å; I182-L185 PolarHBondContact O-N 2.92Å; T183-L185 VanDerWaalsContact C-N 3.32Å; T183-L185 PolarHBondContact O-N 3.42Å; L185-L188 PolarHBondContact O-N 3.39Å; L185-L189 VanDerWaalsContact O-CG 3.31Å; L185-L189 WeakPolarHBondContact O-CG 3.28Å; L185-L189 PolarHBondContact O-N 2.82Å; L185-L189 VanDerWaalsContact O-N 3.17Å
186L98.3Very high98.1Very high77 Ų7741.8 Ų41.840%0.40324%0.235SC..Hα-helixtrans-60.8-50.4177.2-66.9175.2000110.9I182 T183 L188 L189 S190I182-L186 HydrophobicContact CG2-CD1 4.24Å; I182-L186 WeakPolarHBondContact O-CG 3.41Å; I182-L186 PolarHBondContact O-N 3.5Å; T183-L186 PolarHBondContact O-N 3.2Å; L186-L188 VanDerWaalsContact C-N 3.33Å; L186-L188 PolarHBondContact O-N 3.42Å; L186-L189 PolarHBondContact O-N 3.28Å; L186-L189 VanDerWaalsContact O-N 3.14Å; L186-S190 VanDerWaalsContact O-CB 3.24Å; L186-S190 WeakPolarHBondContact O-CB 3.32Å; L186-S190 PolarHBondContact O-N 2.91Å; L186-S190 PolarHBondContact O-OG 3.39Å
187L96.6Very high98.1Very high7 Ų739.2 Ų39.24%0.03722%0.224CC..Hα-helixtrans-57.3-43.7177.9-69.7175.6000112.3M63 A153 T183 L189 S190 L191 E234M63-L187 HydrophobicContact SD-CD2 4.32Å; A153-L187 HydrophobicContact CB-CB 4.33Å; T183-L187 HydrophobicContact CG2-CD1 3.96Å; T183-L187 HydrophobicContact CG2-CG 4.16Å; T183-L187 WeakPolarHBondContact O-CB 3.32Å; T183-L187 VanDerWaalsContact O-CG 3.3Å; T183-L187 WeakPolarHBondContact O-CG 3.23Å; T183-L187 PolarHBondContact O-N 3.13Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 3.06Å; L187-S190 PolarHBondContact O-N 3.28Å; L187-L191 HydrophobicContact CB-CD1 4.02Å; L187-L191 HydrophobicContact CD2-CD1 4.08Å; L187-L191 HydrophobicContact CD2-CG 4.39Å; L187-L191 VanDerWaalsContact O-CB 3.26Å; L187-L191 WeakPolarHBondContact O-CB 3.34Å; L187-L191 WeakPolarHBondContact O-CG 3.29Å; L187-L191 PolarHBondContact O-N 2.61Å; L187-E234 WeakPolarHBondContact CD2-OE2 3.39Å
188L97.6Very high98.1Very high57 Ų5739.3 Ų39.330%0.29822%0.224SC..Hα-helixtrans-63.9-34.2-179.9-176.361.4000112.4I150 A153 V154 I157 A184 L185 L186 P192I150-L188 HydrophobicContact CG2-CD1 4.01Å; A153-L188 HydrophobicContact CB-CB 4.39Å; V154-L188 HydrophobicContact CG2-CD1 3.78Å; V154-L188 HydrophobicContact CG2-CD2 4.44Å; I157-L188 HydrophobicContact CD1-CD2 3.84Å; A184-L188 WeakPolarHBondContact O-CB 3.43Å; A184-L188 PolarHBondContact O-N 3.17Å; L185-L188 PolarHBondContact O-N 3.39Å; L186-L188 VanDerWaalsContact C-N 3.33Å; L186-L188 PolarHBondContact O-N 3.42Å; L188-P192 VanDerWaalsContact O-CD 3.31Å; L188-P192 WeakPolarHBondContact O-CD 3.47Å; L188-P192 WeakPolarHBondContact O-CG 3.29Å
189L97.8Very high98.1Very high127 Ų12738 Ų3867%0.66523%0.225SC*.Hα-helixtrans-86.5-31.2-179.4-65.8174.8000112.9L185 L186 L187L185-L189 VanDerWaalsContact O-CG 3.31Å; L185-L189 WeakPolarHBondContact O-CG 3.28Å; L185-L189 PolarHBondContact O-N 2.82Å; L185-L189 VanDerWaalsContact O-N 3.17Å; L186-L189 PolarHBondContact O-N 3.28Å; L186-L189 VanDerWaalsContact O-N 3.14Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 3.06Å
190S97Very high98.1Very high3 Ų337.3 Ų37.32%0.02122%0.217CC..Hα-helixtrans-91.8-42.8-172.270.50000113.3L186 L187 P192 V193 L194L186-S190 VanDerWaalsContact O-CB 3.24Å; L186-S190 WeakPolarHBondContact O-CB 3.32Å; L186-S190 PolarHBondContact O-N 2.91Å; L186-S190 PolarHBondContact O-OG 3.39Å; L187-S190 PolarHBondContact O-N 3.28Å; S190-P192 VanDerWaalsContact C-CD 3.48Å; S190-V193 WeakPolarHBondContact O-CB 3.43Å; S190-V193 PolarHBondContact O-N 2.82Å; S190-L194 PolarHBondContact O-N 3.43Å
191L97.1Very high98.1Very high4 Ų437.2 Ų37.22%0.02122%0.216CC..Hα-helixtrans-61-35.8-175.2-74.5169.1000114.8S149 I150 L187 V193 L194 A195 F230S149-L191 VanDerWaalsContact CB-CD1 3.49Å; I150-L191 HydrophobicContact CD1-CB 3.91Å; I150-L191 HydrophobicContact CG1-CB 3.89Å; I150-L191 HydrophobicContact CG1-CD1 3.8Å; L187-L191 HydrophobicContact CB-CD1 4.02Å; L187-L191 HydrophobicContact CD2-CD1 4.08Å; L187-L191 HydrophobicContact CD2-CG 4.39Å; L187-L191 VanDerWaalsContact O-CB 3.26Å; L187-L191 WeakPolarHBondContact O-CB 3.34Å; L187-L191 WeakPolarHBondContact O-CG 3.29Å; L187-L191 PolarHBondContact O-N 2.61Å; L191-V193 PolarHBondContact O-N 3.47Å; L191-L194 HydrophobicContact CD2-CD2 4.46Å; L191-L194 PolarHBondContact O-N 3.15Å; L191-A195 WeakPolarHBondContact O-CB 3.48Å; L191-A195 PolarHBondContact O-N 3.42Å; L191-F230 HydrophobicContact CD2-CD2 4.04Å; L191-F230 HydrophobicContact CD2-CE2 3.43Å; L191-F230 VanDerWaalsContact CD2-CE2 3.43Å; L191-F230 HydrophobicContact CD2-CZ 4.17Å; L191-F230 HydrophobicContact CG-CE2 4.18Å
192P98.3Very high98.1Very high67 Ų6737.9 Ų37.944%0.43522%0.219SC..Hα-helixtrans-59-31.6174.4-26.836.6000113.3I150 L188 S190 G196I150-P192 HydrophobicContact CD1-CG 4.43Å; L188-P192 VanDerWaalsContact O-CD 3.31Å; L188-P192 WeakPolarHBondContact O-CD 3.47Å; L188-P192 WeakPolarHBondContact O-CG 3.29Å; S190-P192 VanDerWaalsContact C-CD 3.48Å; P192-G196 PolarHBondContact O-N 3.21Å
193V98.4Very high98.1Very high37 Ų3735 Ų3522%0.22421%0.205CC..Hα-helixtrans-71.6-42.9178.3-1770000110.9S190 L191 G196 A197 L226 F229S190-V193 WeakPolarHBondContact O-CB 3.43Å; S190-V193 PolarHBondContact O-N 2.82Å; L191-V193 PolarHBondContact O-N 3.47Å; V193-G196 PolarHBondContact O-N 2.6Å; V193-A197 PolarHBondContact O-N 3.08Å; V193-L226 HydrophobicContact CG1-CB 4.21Å; V193-L226 HydrophobicContact CG1-CD2 3.88Å; V193-F229 HydrophobicContact CB-CD1 3.81Å; V193-F229 HydrophobicContact CB-CE1 4.33Å; V193-F229 HydrophobicContact CG1-CB 4.21Å; V193-F229 HydrophobicContact CG1-CD1 3.79Å; V193-F229 HydrophobicContact CG1-CG 4.25Å; V193-F229 HydrophobicContact CG2-CD1 3.59Å; V193-F229 HydrophobicContact CG2-CE1 3.6Å
194L97.9Very high98.1Very high5 Ų533.9 Ų33.93%0.02620%0.198CC..Hα-helixtrans-57.8-51.8171.1176.668.1000110.8S190 L191 G196 A197 I198 F227 F230S190-L194 PolarHBondContact O-N 3.43Å; L191-L194 HydrophobicContact CD2-CD2 4.46Å; L191-L194 PolarHBondContact O-N 3.15Å; L194-G196 PolarHBondContact O-N 3.27Å; L194-A197 WeakPolarHBondContact O-CA 3.46Å; L194-A197 WeakPolarHBondContact O-CB 3.43Å; L194-A197 PolarHBondContact O-N 2.6Å; L194-I198 HydrophobicContact CD1-CG2 4Å; L194-I198 WeakPolarHBondContact O-CG1 3.33Å; L194-I198 PolarHBondContact O-N 3.3Å; L194-F227 HydrophobicContact CD1-CD2 3.98Å; L194-F227 HydrophobicContact CD1-CE2 4.2Å; L194-F230 HydrophobicContact CB-CB 3.87Å; L194-F230 HydrophobicContact CB-CD1 3.85Å; L194-F230 HydrophobicContact CB-CD2 4.01Å; L194-F230 HydrophobicContact CB-CE1 4.45Å; L194-F230 HydrophobicContact CB-CG 3.59Å; L194-F230 HydrophobicContact CD1-CD1 3.83Å; L194-F230 HydrophobicContact CD1-CE1 4.2Å; L194-F230 HydrophobicContact CD1-CG 4.45Å; L194-F230 HydrophobicContact CD2-CD1 3.85Å; L194-F230 HydrophobicContact CD2-CD2 4.39Å; L194-F230 HydrophobicContact CD2-CE1 3.61Å; L194-F230 HydrophobicContact CD2-CE2 4.18Å; L194-F230 HydrophobicContact CD2-CG 4.24Å; L194-F230 HydrophobicContact CD2-CZ 3.77Å; L194-F230 HydrophobicContact CG-CD1 4.03Å; L194-F230 HydrophobicContact CG-CE1 4.29Å; L194-F230 HydrophobicContact CG-CG 4.29Å
195A98.3Very high98.1Very high31 Ų3135.3 Ų35.326%0.25620%0.203SC..Hα-helixtrans-55.6-41.8-179.200000111.5L191 T199L191-A195 WeakPolarHBondContact O-CB 3.48Å; L191-A195 PolarHBondContact O-N 3.42Å; A195-T199 VanDerWaalsContact O-CB 3.25Å; A195-T199 WeakPolarHBondContact O-CB 3.26Å; A195-T199 PolarHBondContact O-N 2.93Å; A195-T199 PolarHBondContact O-OG1 3.47Å
196G98.6Very high98.1Very high29 Ų2935.5 Ų35.530%0.29920%0.204SC..Hα-helixtrans-59.9-48.9172.200000112.7P192 V193 L194 T199 M200P192-G196 PolarHBondContact O-N 3.21Å; V193-G196 PolarHBondContact O-N 2.6Å; L194-G196 PolarHBondContact O-N 3.27Å; G196-T199 PolarHBondContact O-N 3.36Å; G196-M200 WeakPolarHBondContact O-CE 3.34Å; G196-M200 WeakPolarHBondContact O-CG 3.28Å; G196-M200 PolarHBondContact O-N 3.45Å
197A98.6Very high98.1Very high0 Ų037.6 Ų37.60%022%0.216CC..Hα-helixtrans-58.9-49.6179.800000112.7V193 L194 T199 M200 L201 Y223 L226V193-A197 PolarHBondContact O-N 3.08Å; L194-A197 WeakPolarHBondContact O-CA 3.46Å; L194-A197 WeakPolarHBondContact O-CB 3.43Å; L194-A197 PolarHBondContact O-N 2.6Å; A197-T199 VanDerWaalsContact C-N 3.35Å; A197-M200 PolarHBondContact O-N 2.87Å; A197-L201 PolarHBondContact O-N 3.48Å; A197-Y223 HydrophobicContact CB-CE2 4.33Å; A197-L226 HydrophobicContact CB-CB 3.74Å; A197-L226 HydrophobicContact CB-CD1 4.09Å
198I98.6Very high98Very high2 Ų244.9 Ų44.91%0.0126%0.255CS..Hα-helixtrans-73.9-25.8-179.164.2174.2000112.4I139 L142 H143 L194 L202I139-I198 HydrophobicContact CG1-CB 4.35Å; I139-I198 HydrophobicContact CG2-CB 4.08Å; I139-I198 HydrophobicContact CG2-CD1 4.27Å; I139-I198 HydrophobicContact CG2-CG1 4.24Å; L142-I198 HydrophobicContact CB-CD1 3.85Å; H143-I198 VanDerWaalsContact CE1-CD1 3.49Å; H143-I198 WeakPolarHBondContact CE1-CD1 3.41Å; H143-I198 VanDerWaalsContact CE1-CG1 3.41Å; H143-I198 WeakPolarHBondContact CE1-CG1 3.37Å; L194-I198 HydrophobicContact CD1-CG2 4Å; L194-I198 WeakPolarHBondContact O-CG1 3.33Å; L194-I198 PolarHBondContact O-N 3.3Å; I198-L202 WeakPolarHBondContact O-CB 3.25Å; I198-L202 PolarHBondContact O-N 2.98Å
199T98.7Very high98Very high59 Ų5944.6 Ų44.636%0.36226%0.255SS..Hα-helixtrans-68.8-46.5169.6-62.30000111.2H143 A195 G196 A197 L201 L202 T203H143-T199 PolarHBondContact NE2-OG1 2.8Å; A195-T199 VanDerWaalsContact O-CB 3.25Å; A195-T199 WeakPolarHBondContact O-CB 3.26Å; A195-T199 PolarHBondContact O-N 2.93Å; A195-T199 PolarHBondContact O-OG1 3.47Å; G196-T199 PolarHBondContact O-N 3.36Å; A197-T199 VanDerWaalsContact C-N 3.35Å; T199-L201 PolarHBondContact O-N 3.36Å; T199-L202 WeakPolarHBondContact O-CB 3.23Å; T199-L202 PolarHBondContact O-N 3.27Å; T199-L202 VanDerWaalsContact O-N 3.07Å; T199-T203 WeakPolarHBondContact O-CG2 3.17Å; T199-T203 PolarHBondContact O-N 2.89Å
200M98.7Very high98Very high42 Ų4240.9 Ų40.921%0.20724%0.24CC..Hα-helixtrans-58.1-38.8174.8-75.4-176.9-75.800111.4G196 A197 T203 D204 F211 F212 L226G196-M200 WeakPolarHBondContact O-CE 3.34Å; G196-M200 WeakPolarHBondContact O-CG 3.28Å; G196-M200 PolarHBondContact O-N 3.45Å; A197-M200 PolarHBondContact O-N 2.87Å; M200-T203 PolarHBondContact O-N 3.03Å; M200-T203 PolarHBondContact O-OG1 3.12Å; M200-D204 PolarHBondContact O-N 2.8Å; M200-F211 HydrophobicContact CB-CB 4.2Å; M200-F211 HydrophobicContact CB-CD2 3.74Å; M200-F211 HydrophobicContact CB-CE2 4.25Å; M200-F211 HydrophobicContact CB-CG 3.92Å; M200-F211 HydrophobicContact CG-CD1 4.08Å; M200-F211 HydrophobicContact CG-CD2 3.82Å; M200-F211 HydrophobicContact CG-CE1 4.15Å; M200-F211 HydrophobicContact CG-CE2 3.9Å; M200-F211 HydrophobicContact CG-CG 3.92Å; M200-F211 HydrophobicContact CG-CZ 4.07Å; M200-F211 HydrophobicContact SD-CB 4.48Å; M200-F211 HydrophobicContact SD-CD1 3.6Å; M200-F211 VanDerWaalsContact SD-CD1 3.6Å; M200-F211 HydrophobicContact SD-CD2 4.42Å; M200-F211 HydrophobicContact SD-CE1 3.83Å; M200-F211 HydrophobicContact SD-CG 3.93Å; M200-F211 HydrophobicContact SD-CZ 4.34Å; M200-F212 HydrophobicContact CB-CE2 3.63Å; M200-F212 HydrophobicContact CB-CZ 3.75Å; M200-F212 HydrophobicContact CE-CZ 4.26Å; M200-F212 HydrophobicContact SD-CZ 4.48Å; M200-L226 HydrophobicContact CE-CD1 3.34Å
201L98.6Very high98.1Very high1 Ų145 Ų451%0.00526%0.258CS..Hα-helixtrans-65.9-42.3175.117862.9000111.1V120 P122 S125 I139 A197 T199 T203 D204 R205 F212 Y223V120-L201 HydrophobicContact CG1-CD2 3.82Å; P122-L201 HydrophobicContact CB-CD1 4.13Å; P122-L201 HydrophobicContact CG-CD1 4.46Å; S125-L201 WeakPolarHBondContact OG-CD2 3.33Å; I139-L201 HydrophobicContact CD1-CD2 4.02Å; I139-L201 HydrophobicContact CD1-CG 4.15Å; A197-L201 PolarHBondContact O-N 3.48Å; T199-L201 PolarHBondContact O-N 3.36Å; L201-T203 VanDerWaalsContact C-N 3.29Å; L201-T203 PolarHBondContact O-N 3.01Å; L201-D204 PolarHBondContact O-N 3.07Å; L201-R205 HydrophobicContact CD1-CG 4.38Å; L201-R205 WeakPolarHBondContact O-CB 3.41Å; L201-R205 WeakPolarHBondContact O-CG 3.33Å; L201-R205 PolarHBondContact O-N 2.95Å; L201-F212 HydrophobicContact CB-CD2 4.31Å; L201-F212 HydrophobicContact CB-CE2 4.02Å; L201-F212 HydrophobicContact CD1-CD2 4.38Å; L201-Y223 HydrophobicContact CB-CE2 4.17Å; L201-Y223 HydrophobicContact CD2-CE2 3.95Å
202L98.6Very high98.2Very high28 Ų2845 Ų4515%0.14726%0.258CS..Hα-helixtrans-60.5-39.6176.4-172.269.2000111.6D136 I139 F140 I198 T199 R205 N206D136-L202 HydrophobicContact CB-CD1 3.87Å; D136-L202 VanDerWaalsContact OD1-CD1 3.25Å; D136-L202 WeakPolarHBondContact OD1-CD1 3.43Å; I139-L202 HydrophobicContact CD1-CB 4.27Å; I139-L202 HydrophobicContact CD1-CD1 4.26Å; I139-L202 HydrophobicContact CG2-CB 4.26Å; I139-L202 HydrophobicContact CG2-CD1 4.36Å; I139-L202 HydrophobicContact CG2-CD2 4.4Å; F140-L202 HydrophobicContact CE1-CD2 3.86Å; F140-L202 HydrophobicContact CZ-CD1 4.48Å; F140-L202 HydrophobicContact CZ-CD2 3.85Å; I198-L202 WeakPolarHBondContact O-CB 3.25Å; I198-L202 PolarHBondContact O-N 2.98Å; T199-L202 WeakPolarHBondContact O-CB 3.23Å; T199-L202 PolarHBondContact O-N 3.27Å; T199-L202 VanDerWaalsContact O-N 3.07Å; L202-R205 PolarHBondContact O-N 3.36Å; L202-N206 WeakPolarHBondContact CD1-ND2 3.4Å; L202-N206 WeakPolarHBondContact O-CB 3.33Å; L202-N206 PolarHBondContact O-N 2.87Å; L202-N206 PolarHBondContact O-ND2 3.31Å
203T98.4Very high98.1Very high27 Ų2744.7 Ų44.717%0.16625%0.252CS..Hα-helixtrans-72.4-35.8176.762.70000112.4T199 M200 L201 R205 N206 L207 N208 T209T199-T203 WeakPolarHBondContact O-CG2 3.17Å; T199-T203 PolarHBondContact O-N 2.89Å; M200-T203 PolarHBondContact O-N 3.03Å; M200-T203 PolarHBondContact O-OG1 3.12Å; L201-T203 VanDerWaalsContact C-N 3.29Å; L201-T203 PolarHBondContact O-N 3.01Å; T203-R205 PolarHBondContact O-N 2.91Å; T203-N206 PolarHBondContact O-N 3.41Å; T203-L207 HydrophobicContact CG2-CD1 3.88Å; T203-L207 CarbonylContact O-C 3.57Å; T203-L207 WeakPolarHBondContact O-CA 3.21Å; T203-L207 WeakPolarHBondContact O-CB 3.48Å; T203-L207 PolarHBondContact O-N 3.33Å; T203-N208 PolarHBondContact O-N 2.93Å; T203-T209 WeakPolarHBondContact CB-OG1 3.33Å; T203-T209 PolarHBondContact O-OG1 3.5Å; T203-T209 PolarHBondContact OG1-OG1 3.32Å
204D98.2Very high98Very high26 Ų2646.8 Ų46.814%0.13927%0.267CS..Hα-helixtrans-62.9-37.1173.8-82.910.8000110.8M200 L201 T209 S210 F211 F212M200-D204 PolarHBondContact O-N 2.8Å; L201-D204 PolarHBondContact O-N 3.07Å; D204-T209 VanDerWaalsContact CA-OG1 3.31Å; D204-T209 WeakPolarHBondContact CA-OG1 3.35Å; D204-T209 PolarHBondContact N-OG1 3Å; D204-T209 WeakPolarHBondContact OD1-CB 3.44Å; D204-T209 VanDerWaalsContact OD1-O 3.14Å; D204-T209 PolarHBondContact OD1-OG1 2.91Å; D204-S210 PolarHBondContact OD1-N 3.37Å; D204-S210 VanDerWaalsContact OD1-N 3.12Å; D204-F211 VanDerWaalsContact CG-N 3.34Å; D204-F211 WeakPolarHBondContact OD1-CD2 3.35Å; D204-F211 PolarHBondContact OD1-N 3.19Å; D204-F211 PolarHBondContact OD2-N 2.89Å; D204-F212 PolarHBondContact OD2-N 3.45Å
205R97.6Very high97.9Very high30 Ų3051 Ų5111%0.11330%0.303CS..Hα-helixtrans-71.3-38177.7-70.7170.757.365.616.5113.8S125 H130 G132 D136 L201 L202 T203S125-R205 WeakPolarHBondContact O-CD 3.44Å; S125-R205 PolarHBondContact O-NH1 2.59Å; H130-R205 PolarHBondContact O-NH1 2.75Å; H130-R205 PolarHBondContact O-NH2 2.75Å; G132-R205 PolarHBondContact O-NH2 3.09Å; D136-R205 IonicContact OD1-CZ 3.47Å; D136-R205 IonicContact OD1-NE 2.74Å; D136-R205 PolarHBondContact OD1-NE 2.94Å; D136-R205 IonicContact OD1-NH2 3.32Å; D136-R205 PolarHBondContact OD1-NH2 2.89Å; D136-R205 IonicContact OD2-CZ 3.87Å; D136-R205 IonicContact OD2-NE 3.87Å; D136-R205 IonicContact OD2-NH2 2.98Å; D136-R205 PolarHBondContact OD2-NH2 3.46Å; L201-R205 HydrophobicContact CD1-CG 4.38Å; L201-R205 WeakPolarHBondContact O-CB 3.41Å; L201-R205 WeakPolarHBondContact O-CG 3.33Å; L201-R205 PolarHBondContact O-N 2.95Å; L202-R205 PolarHBondContact O-N 3.36Å; T203-R205 PolarHBondContact O-N 2.91Å
206N98.1Very high97.7Very high86 Ų8651.7 Ų51.746%0.4631%0.312SS..Hα-helixtrans-121-20.1-164-64.6-79.3000115.3D136 L202 T203D136-N206 PolarHBondContact OD1-ND2 3.21Å; L202-N206 WeakPolarHBondContact CD1-ND2 3.4Å; L202-N206 WeakPolarHBondContact O-CB 3.33Å; L202-N206 PolarHBondContact O-N 2.87Å; L202-N206 PolarHBondContact O-ND2 3.31Å; T203-N206 PolarHBondContact O-N 3.41Å
207L97.7Very high97.6Very high122 Ų12253.8 Ų53.864%0.63933%0.334SS*.SBendtrans-121.814.5-172-58.3-177.5000113.2T203 T209T203-L207 HydrophobicContact CG2-CD1 3.88Å; T203-L207 CarbonylContact O-C 3.57Å; T203-L207 WeakPolarHBondContact O-CA 3.21Å; T203-L207 WeakPolarHBondContact O-CB 3.48Å; T203-L207 PolarHBondContact O-N 3.33Å; L207-T209 PolarHBondContact O-N 3.09Å
208N96Very high97.6Very high160 Ų16054.5 Ų54.586%0.85634%0.341SS*.  trans55.232.5179.6-55-57.2000113.7T203T203-N208 PolarHBondContact O-N 2.93Å
209T97.9Very high97.6Very high50 Ų5058 Ų5831%0.30736%0.36SS..  trans-79.4168.2165.263.20000110.1T203 D204 L207 F211T203-T209 WeakPolarHBondContact CB-OG1 3.33Å; T203-T209 PolarHBondContact O-OG1 3.5Å; T203-T209 PolarHBondContact OG1-OG1 3.32Å; D204-T209 VanDerWaalsContact CA-OG1 3.31Å; D204-T209 WeakPolarHBondContact CA-OG1 3.35Å; D204-T209 PolarHBondContact N-OG1 3Å; D204-T209 WeakPolarHBondContact OD1-CB 3.44Å; D204-T209 VanDerWaalsContact OD1-O 3.14Å; D204-T209 PolarHBondContact OD1-OG1 2.91Å; L207-T209 PolarHBondContact O-N 3.09Å; T209-F211 HydrophobicContact CG2-CE2 4.26Å
210S97.5Very high97.5Very high50 Ų5056.3 Ų56.335%0.3535%0.35SS..  trans-138.448.2-176.958.50000112.6D204 F212 G216 G218D204-S210 PolarHBondContact OD1-N 3.37Å; D204-S210 VanDerWaalsContact OD1-N 3.12Å; S210-F212 VanDerWaalsContact C-N 3.35Å; S210-G216 PolarHBondContact OG-O 2.94Å; S210-G216 VanDerWaalsContact OG-O 3.05Å; S210-G218 VanDerWaalsContact O-CA 3.23Å; S210-G218 WeakPolarHBondContact O-CA 3.46Å; S210-G218 PolarHBondContact O-N 3.12Å
211F98.4Very high97.5Very high90 Ų9058.3 Ų58.340%0.39536%0.361SS..SBendtrans-63.5-40.8176.7-70.8-76.8000112.2M200 D204 T209 G218 D219M200-F211 HydrophobicContact CB-CB 4.2Å; M200-F211 HydrophobicContact CB-CD2 3.74Å; M200-F211 HydrophobicContact CB-CE2 4.25Å; M200-F211 HydrophobicContact CB-CG 3.92Å; M200-F211 HydrophobicContact CG-CD1 4.08Å; M200-F211 HydrophobicContact CG-CD2 3.82Å; M200-F211 HydrophobicContact CG-CE1 4.15Å; M200-F211 HydrophobicContact CG-CE2 3.9Å; M200-F211 HydrophobicContact CG-CG 3.92Å; M200-F211 HydrophobicContact CG-CZ 4.07Å; M200-F211 HydrophobicContact SD-CB 4.48Å; M200-F211 HydrophobicContact SD-CD1 3.6Å; M200-F211 VanDerWaalsContact SD-CD1 3.6Å; M200-F211 HydrophobicContact SD-CD2 4.42Å; M200-F211 HydrophobicContact SD-CE1 3.83Å; M200-F211 HydrophobicContact SD-CG 3.93Å; M200-F211 HydrophobicContact SD-CZ 4.34Å; D204-F211 VanDerWaalsContact CG-N 3.34Å; D204-F211 WeakPolarHBondContact OD1-CD2 3.35Å; D204-F211 PolarHBondContact OD1-N 3.19Å; D204-F211 PolarHBondContact OD2-N 2.89Å; T209-F211 HydrophobicContact CG2-CE2 4.26Å; F211-G218 WeakPolarHBondContact O-CA 3.28Å; F211-D219 PolarHBondContact O-N 2.84Å; F211-D219 VanDerWaalsContact O-N 3.12Å
212F98.4Very high97.5Very high3 Ų361.6 Ų61.61%0.01338%0.379CS..SBendtrans-118.1-2.3-173.5-49.9-56.3000113.7P122 M200 L201 D204 S210 P214 P220 L222 Y223 L226P122-F212 HydrophobicContact CB-CB 3.92Å; P122-F212 HydrophobicContact CG-CB 3.57Å; P122-F212 HydrophobicContact CG-CD2 4.1Å; P122-F212 HydrophobicContact CG-CG 3.84Å; M200-F212 HydrophobicContact CB-CE2 3.63Å; M200-F212 HydrophobicContact CB-CZ 3.75Å; M200-F212 HydrophobicContact CE-CZ 4.26Å; M200-F212 HydrophobicContact SD-CZ 4.48Å; L201-F212 HydrophobicContact CB-CD2 4.31Å; L201-F212 HydrophobicContact CB-CE2 4.02Å; L201-F212 HydrophobicContact CD1-CD2 4.38Å; D204-F212 PolarHBondContact OD2-N 3.45Å; S210-F212 VanDerWaalsContact C-N 3.35Å; F212-P214 WeakPolarHBondContact O-CD 3.29Å; F212-P220 VanDerWaalsContact O-CD 3.25Å; F212-P220 WeakPolarHBondContact O-CD 3.25Å; F212-P220 VanDerWaalsContact O-CG 3.28Å; F212-P220 WeakPolarHBondContact O-CG 3.28Å; F212-L222 HydrophobicContact CD1-CB 4.37Å; F212-L222 HydrophobicContact CE1-CB 4.26Å; F212-L222 HydrophobicContact CE1-CD2 4.16Å; F212-L222 HydrophobicContact CE1-CG 4.08Å; F212-Y223 HydrophobicContact CD2-CD2 4.09Å; F212-Y223 HydrophobicContact CE1-CD2 4.21Å; F212-Y223 HydrophobicContact CE1-CG 4.45Å; F212-Y223 AromaticContact CE2-CD2 3.66Å; F212-Y223 HydrophobicContact CE2-CD2 3.66Å; F212-Y223 HydrophobicContact CE2-CE2 4.47Å; F212-Y223 AromaticContact CZ-CD2 3.72Å; F212-Y223 HydrophobicContact CZ-CD2 3.72Å; F212-Y223 HydrophobicContact CZ-CG 4.39Å; F212-L226 HydrophobicContact CE1-CD1 4.3Å; F212-L226 HydrophobicContact CZ-CD1 4.32Å
213D97Very high97.5Very high60 Ų6060.3 Ų60.332%0.32137%0.372SS..  trans-89.4112.3177.7-178.85.9000111.7A215 G216 G217 G218D213-A215 PolarHBondContact O-N 3.38Å; D213-A215 WeakPolarHBondContact OD1-CB 3.47Å; D213-A215 PolarHBondContact OD1-N 3.05Å; D213-G216 CarbonylContact O-C 3.53Å; D213-G216 PolarHBondContact O-N 2.95Å; D213-G217 PolarHBondContact O-N 3.19Å; D213-G218 WeakPolarHBondContact O-CA 3.41Å; D213-G218 PolarHBondContact O-N 3.37Å
214P96.6Very high97.5Very high82 Ų8262.4 Ų62.453%0.53238%0.38SS..G310 helixtrans-57.9-28.9176.9-24.335.1000114.5F212 G216 G217 G218 P220F212-P214 WeakPolarHBondContact O-CD 3.29Å; P214-G216 PolarHBondContact O-N 3.06Å; P214-G217 PolarHBondContact O-N 3.47Å; P214-G217 VanDerWaalsContact O-N 3.12Å; P214-G218 WeakPolarHBondContact CA-O 3.08Å; P214-P220 HydrophobicContact CG-CG 3.96Å
215A95.4Very high97.5Very high94 Ų9467.8 Ų67.878%0.77740%0.404SS*.G310 helixtrans-66.5-28.8178.600000112.3D213D213-A215 PolarHBondContact O-N 3.38Å; D213-A215 WeakPolarHBondContact OD1-CB 3.47Å; D213-A215 PolarHBondContact OD1-N 3.05Å
216G94.9Very high97.5Very high45 Ų4568.2 Ų68.246%0.46441%0.408SS..G310 helixtrans-98.511.7173.100000114.1S210 D213 P214S210-G216 PolarHBondContact OG-O 2.94Å; S210-G216 VanDerWaalsContact OG-O 3.05Å; D213-G216 CarbonylContact O-C 3.53Å; D213-G216 PolarHBondContact O-N 2.95Å; P214-G216 PolarHBondContact O-N 3.06Å
217G96.8Very high97.5Very high73 Ų7364.3 Ų64.375%0.75339%0.387SS*.THydrogen-bonded Turntrans85.68.1179.700000115.9D213 P214D213-G217 PolarHBondContact O-N 3.19Å; P214-G217 PolarHBondContact O-N 3.47Å; P214-G217 VanDerWaalsContact O-N 3.12Å
218G97.8Very high97.6Very high15 Ų1563.9 Ų63.916%0.15538%0.377CS..  trans-77.8172.6174.400000113.8S210 F211 D213 P214S210-G218 VanDerWaalsContact O-CA 3.23Å; S210-G218 WeakPolarHBondContact O-CA 3.46Å; S210-G218 PolarHBondContact O-N 3.12Å; F211-G218 WeakPolarHBondContact O-CA 3.28Å; D213-G218 WeakPolarHBondContact O-CA 3.41Å; D213-G218 PolarHBondContact O-N 3.37Å; P214-G218 WeakPolarHBondContact CA-O 3.08Å
219D98.2Very high97.7Very high75 Ų7562.3 Ų62.340%0.40136%0.363SS..  trans-133.3112.6179.8-176.34000111.6F211 N221 L222F211-D219 PolarHBondContact O-N 2.84Å; F211-D219 VanDerWaalsContact O-N 3.12Å; D219-N221 PolarHBondContact O-N 3.29Å; D219-N221 VanDerWaalsContact O-N 3.15Å; D219-N221 VanDerWaalsContact OD1-CB 3.29Å; D219-N221 WeakPolarHBondContact OD1-CB 3.4Å; D219-N221 PolarHBondContact OD1-N 3.05Å; D219-N221 PolarHBondContact OD1-ND2 2.58Å; D219-N221 VanDerWaalsContact OD1-ND2 3.16Å; D219-L222 HydrophobicContact CB-CB 4.33Å; D219-L222 VanDerWaalsContact O-CB 3.22Å; D219-L222 WeakPolarHBondContact O-CB 3.38Å; D219-L222 PolarHBondContact O-N 2.95Å
220P97.4Very high97.6Very high24 Ų2460 Ų6016%0.15635%0.348CS..Hα-helixtrans-56.2-26.2172.7-25.332.6000114.2F212 P214 L222 Y223 Q224F212-P220 VanDerWaalsContact O-CD 3.25Å; F212-P220 WeakPolarHBondContact O-CD 3.25Å; F212-P220 VanDerWaalsContact O-CG 3.28Å; F212-P220 WeakPolarHBondContact O-CG 3.28Å; P214-P220 HydrophobicContact CG-CG 3.96Å; P220-L222 VanDerWaalsContact C-N 3.3Å; P220-L222 PolarHBondContact O-N 3.23Å; P220-Y223 WeakPolarHBondContact O-CB 3.47Å; P220-Y223 PolarHBondContact O-N 3.4Å; P220-Q224 PolarHBondContact O-N 3.4Å
221N98.2Very high97.3Very high83 Ų8357.6 Ų57.644%0.44433%0.332SS..Hα-helixtrans-70.8-27.5176.3-60.3-50.1000112.2D219 Y223 Q224 H225D219-N221 PolarHBondContact O-N 3.29Å; D219-N221 VanDerWaalsContact O-N 3.15Å; D219-N221 VanDerWaalsContact OD1-CB 3.29Å; D219-N221 WeakPolarHBondContact OD1-CB 3.4Å; D219-N221 PolarHBondContact OD1-N 3.05Å; D219-N221 PolarHBondContact OD1-ND2 2.58Å; D219-N221 VanDerWaalsContact OD1-ND2 3.16Å; N221-Y223 PolarHBondContact O-N 3.06Å; N221-Q224 WeakPolarHBondContact O-CB 3.33Å; N221-Q224 PolarHBondContact O-N 3.04Å; N221-Q224 VanDerWaalsContact O-N 3.09Å; N221-Q224 PolarHBondContact OD1-NE2 2.86Å; N221-H225 PolarHBondContact O-CD2 3.12Å; N221-H225 PolarHBondContact O-N 2.87Å
222L98.4Very high97.2Very high71 Ų7159.9 Ų59.937%0.37234%0.343SS..Hα-helixtrans-57.7-42.7171.4177.161.9000110.4F212 D219 P220 Q224 H225 L226F212-L222 HydrophobicContact CD1-CB 4.37Å; F212-L222 HydrophobicContact CE1-CB 4.26Å; F212-L222 HydrophobicContact CE1-CD2 4.16Å; F212-L222 HydrophobicContact CE1-CG 4.08Å; D219-L222 HydrophobicContact CB-CB 4.33Å; D219-L222 VanDerWaalsContact O-CB 3.22Å; D219-L222 WeakPolarHBondContact O-CB 3.38Å; D219-L222 PolarHBondContact O-N 2.95Å; P220-L222 VanDerWaalsContact C-N 3.3Å; P220-L222 PolarHBondContact O-N 3.23Å; L222-Q224 VanDerWaalsContact C-N 3.31Å; L222-Q224 PolarHBondContact O-N 3.45Å; L222-H225 PolarHBondContact O-N 3.46Å; L222-L226 HydrophobicContact CD1-CD1 4.24Å; L222-L226 HydrophobicContact CD1-CG 4.24Å; L222-L226 HydrophobicContact CG-CD1 4.02Å; L222-L226 HydrophobicContact CG-CG 4.47Å; L222-L226 VanDerWaalsContact O-CG 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.34Å; L222-L226 PolarHBondContact O-N 2.79Å
223Y98.6Very high96.9Very high0 Ų062 Ų620%036%0.357CS..Hα-helixtrans-57.9-46.3175-174.2-77.9000110.9T119 Y121 P122 A197 L201 F212 P220 N221 H225 L226 F227T119-Y223 WeakPolarHBondContact O-CE1 3.07Å; T119-Y223 PolarHBondContact O-OH 3.3Å; Y121-Y223 AromaticContact CD1-CD1 3.51Å; Y121-Y223 HydrophobicContact CD1-CD1 3.51Å; Y121-Y223 AromaticContact CD1-CE1 3.63Å; Y121-Y223 HydrophobicContact CD1-CE1 3.63Å; Y121-Y223 AromaticContact CE1-CD1 3.97Å; Y121-Y223 HydrophobicContact CE1-CD1 3.97Å; Y121-Y223 HydrophobicContact CE1-CE1 4.07Å; P122-Y223 VanDerWaalsContact CD-CG 3.41Å; P122-Y223 HydrophobicContact CG-CD2 4.02Å; P122-Y223 HydrophobicContact CG-CG 3.88Å; A197-Y223 HydrophobicContact CB-CE2 4.33Å; L201-Y223 HydrophobicContact CB-CE2 4.17Å; L201-Y223 HydrophobicContact CD2-CE2 3.95Å; F212-Y223 HydrophobicContact CD2-CD2 4.09Å; F212-Y223 HydrophobicContact CE1-CD2 4.21Å; F212-Y223 HydrophobicContact CE1-CG 4.45Å; F212-Y223 AromaticContact CE2-CD2 3.66Å; F212-Y223 HydrophobicContact CE2-CD2 3.66Å; F212-Y223 HydrophobicContact CE2-CE2 4.47Å; F212-Y223 AromaticContact CZ-CD2 3.72Å; F212-Y223 HydrophobicContact CZ-CD2 3.72Å; F212-Y223 HydrophobicContact CZ-CG 4.39Å; P220-Y223 WeakPolarHBondContact O-CB 3.47Å; P220-Y223 PolarHBondContact O-N 3.4Å; N221-Y223 PolarHBondContact O-N 3.06Å; Y223-H225 VanDerWaalsContact C-N 3.32Å; Y223-H225 PolarHBondContact O-N 3.37Å; Y223-L226 PolarHBondContact O-N 2.88Å; Y223-F227 HydrophobicContact CD1-CB 4.14Å; Y223-F227 HydrophobicContact CE1-CB 3.83Å; Y223-F227 AromaticContact CE1-CD2 4Å; Y223-F227 HydrophobicContact CE1-CD2 4Å; Y223-F227 HydrophobicContact CE1-CG 4.18Å; Y223-F227 VanDerWaalsContact O-CB 3.27Å; Y223-F227 WeakPolarHBondContact O-CB 3.32Å; Y223-F227 PolarHBondContact O-N 3.48Å
224Q98.3Very high96.6Very high72 Ų7260.6 Ų60.634%0.33635%0.349SS..Hα-helixtrans-60.4-42.4179.3-60.6-174.543.700111.9Y121 P220 N221 L222 F227 W228Y121-Q224 HydrophobicContact CD1-CG 4.12Å; Y121-Q224 HydrophobicContact CE1-CB 4.33Å; Y121-Q224 HydrophobicContact CE1-CG 3.73Å; Y121-Q224 HydrophobicContact CE2-CG 4.34Å; P220-Q224 PolarHBondContact O-N 3.4Å; N221-Q224 WeakPolarHBondContact O-CB 3.33Å; N221-Q224 PolarHBondContact O-N 3.04Å; N221-Q224 VanDerWaalsContact O-N 3.09Å; N221-Q224 PolarHBondContact OD1-NE2 2.86Å; L222-Q224 VanDerWaalsContact C-N 3.31Å; L222-Q224 PolarHBondContact O-N 3.45Å; Q224-F227 PolarHBondContact O-N 3.14Å; Q224-W228 WeakPolarHBondContact O-CB 3.49Å; Q224-W228 PolarHBondContact O-N 3.11Å
225H98.4Very high95.9Very high139 Ų13963.7 Ų63.764%0.64437%0.366SS*.Hα-helixtrans-61-46.9176.2-75.4-61.5000112.1N221 L222 Y223 F229N221-H225 PolarHBondContact O-CD2 3.12Å; N221-H225 PolarHBondContact O-N 2.87Å; L222-H225 PolarHBondContact O-N 3.46Å; Y223-H225 VanDerWaalsContact C-N 3.32Å; Y223-H225 PolarHBondContact O-N 3.37Å; H225-F229 VanDerWaalsContact O-CB 3.27Å; H225-F229 WeakPolarHBondContact O-CB 3.36Å; H225-F229 PolarHBondContact O-N 3.32Å
226L98.4Very high96Very high38 Ų3862.2 Ų62.220%0.19935%0.346CS..Hα-helixtrans-65.9-43.1178.8-63.6168.1000111.6V193 A197 M200 F212 L222 Y223 F230V193-L226 HydrophobicContact CG1-CB 4.21Å; V193-L226 HydrophobicContact CG1-CD2 3.88Å; A197-L226 HydrophobicContact CB-CB 3.74Å; A197-L226 HydrophobicContact CB-CD1 4.09Å; M200-L226 HydrophobicContact CE-CD1 3.34Å; F212-L226 HydrophobicContact CE1-CD1 4.3Å; F212-L226 HydrophobicContact CZ-CD1 4.32Å; L222-L226 HydrophobicContact CD1-CD1 4.24Å; L222-L226 HydrophobicContact CD1-CG 4.24Å; L222-L226 HydrophobicContact CG-CD1 4.02Å; L222-L226 HydrophobicContact CG-CG 4.47Å; L222-L226 VanDerWaalsContact O-CG 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.34Å; L222-L226 PolarHBondContact O-N 2.79Å; Y223-L226 PolarHBondContact O-N 2.88Å; L226-F230 PolarHBondContact O-N 2.74Å
227F98.3Very high96Very high5 Ų563.1 Ų63.12%0.02234%0.34CS..Hα-helixtrans-61.5-48.5178-176.5-88.3000111.1W118 T119 Y121 L194 Y223 Q224 F230 G231W118-F227 HydrophobicContact CD2-CZ 4.25Å; W118-F227 AromaticContact CE3-CZ 3.76Å; W118-F227 HydrophobicContact CE3-CZ 3.76Å; W118-F227 AromaticContact CH2-CE1 3.81Å; W118-F227 HydrophobicContact CH2-CE1 3.81Å; W118-F227 AromaticContact CH2-CZ 3.74Å; W118-F227 HydrophobicContact CH2-CZ 3.74Å; W118-F227 HydrophobicContact CZ2-CE1 4.1Å; W118-F227 HydrophobicContact CZ2-CZ 4.21Å; W118-F227 HydrophobicContact CZ3-CE1 4.07Å; W118-F227 AromaticContact CZ3-CZ 3.51Å; W118-F227 HydrophobicContact CZ3-CZ 3.51Å; T119-F227 HydrophobicContact CG2-CD1 4.37Å; T119-F227 HydrophobicContact CG2-CE1 3.69Å; T119-F227 HydrophobicContact CG2-CZ 3.91Å; Y121-F227 HydrophobicContact CE1-CD1 4.47Å; Y121-F227 HydrophobicContact CE1-CG 4.46Å; L194-F227 HydrophobicContact CD1-CD2 3.98Å; L194-F227 HydrophobicContact CD1-CE2 4.2Å; Y223-F227 HydrophobicContact CD1-CB 4.14Å; Y223-F227 HydrophobicContact CE1-CB 3.83Å; Y223-F227 AromaticContact CE1-CD2 4Å; Y223-F227 HydrophobicContact CE1-CD2 4Å; Y223-F227 HydrophobicContact CE1-CG 4.18Å; Y223-F227 VanDerWaalsContact O-CB 3.27Å; Y223-F227 WeakPolarHBondContact O-CB 3.32Å; Y223-F227 PolarHBondContact O-N 3.48Å; Q224-F227 PolarHBondContact O-N 3.14Å; F227-F230 CarbonylContact O-C 3.56Å; F227-F230 WeakPolarHBondContact O-CB 3.31Å; F227-F230 PolarHBondContact O-N 3.32Å; F227-G231 PolarHBondContact O-N 2.93Å
228W98.3Very high96Very high112 Ų11262.6 Ų62.642%0.42432%0.317SS..Hα-helixtrans-78.5-21.8-177.6-73.4120.5000114.3W118 T119 Y121 Q224 F230 G231 H232W118-W228 HydrophobicContact CH2-CH2 4.42Å; W118-W228 HydrophobicContact CH2-CZ3 4.35Å; W118-W228 AromaticContact CZ2-CH2 3.83Å; W118-W228 HydrophobicContact CZ2-CH2 3.83Å; W118-W228 HydrophobicContact CZ2-CZ3 4.19Å; T119-W228 HydrophobicContact CG2-CZ2 4.34Å; Y121-W228 PolarHBondContact OH-NE1 2.98Å; Q224-W228 WeakPolarHBondContact O-CB 3.49Å; Q224-W228 PolarHBondContact O-N 3.11Å; W228-F230 PolarHBondContact O-N 3.28Å; W228-G231 PolarHBondContact O-N 3.3Å; W228-H232 PolarHBondContact O-N 2.8Å
229F97.7Very high95.9Very high127 Ų12765.4 Ų65.456%0.55733%0.326SS*.Hα-helixtrans-58-37.1165.3-175.4-83.5000110.8V193 H225 P233V193-F229 HydrophobicContact CB-CD1 3.81Å; V193-F229 HydrophobicContact CB-CE1 4.33Å; V193-F229 HydrophobicContact CG1-CB 4.21Å; V193-F229 HydrophobicContact CG1-CD1 3.79Å; V193-F229 HydrophobicContact CG1-CG 4.25Å; V193-F229 HydrophobicContact CG2-CD1 3.59Å; V193-F229 HydrophobicContact CG2-CE1 3.6Å; H225-F229 VanDerWaalsContact O-CB 3.27Å; H225-F229 WeakPolarHBondContact O-CB 3.36Å; H225-F229 PolarHBondContact O-N 3.32Å; F229-P233 WeakPolarHBondContact O-CD 3.25Å; F229-P233 VanDerWaalsContact O-CG 3.26Å; F229-P233 WeakPolarHBondContact O-CG 3.49Å
230F96.8Very high95.7Very high1 Ų164.8 Ų64.80%0.00432%0.321CS..Hα-helixtrans-79.9-47.4170.4154.8-100.4000112.9F59 L191 L194 L226 F227 W228 H232 P233 E234F59-F230 HydrophobicContact CE1-CZ 4.02Å; F59-F230 HydrophobicContact CZ-CE1 4.16Å; F59-F230 AromaticContact CZ-CZ 3.86Å; F59-F230 HydrophobicContact CZ-CZ 3.86Å; L191-F230 HydrophobicContact CD2-CD2 4.04Å; L191-F230 HydrophobicContact CD2-CE2 3.43Å; L191-F230 VanDerWaalsContact CD2-CE2 3.43Å; L191-F230 HydrophobicContact CD2-CZ 4.17Å; L191-F230 HydrophobicContact CG-CE2 4.18Å; L194-F230 HydrophobicContact CB-CB 3.87Å; L194-F230 HydrophobicContact CB-CD1 3.85Å; L194-F230 HydrophobicContact CB-CD2 4.01Å; L194-F230 HydrophobicContact CB-CE1 4.45Å; L194-F230 HydrophobicContact CB-CG 3.59Å; L194-F230 HydrophobicContact CD1-CD1 3.83Å; L194-F230 HydrophobicContact CD1-CE1 4.2Å; L194-F230 HydrophobicContact CD1-CG 4.45Å; L194-F230 HydrophobicContact CD2-CD1 3.85Å; L194-F230 HydrophobicContact CD2-CD2 4.39Å; L194-F230 HydrophobicContact CD2-CE1 3.61Å; L194-F230 HydrophobicContact CD2-CE2 4.18Å; L194-F230 HydrophobicContact CD2-CG 4.24Å; L194-F230 HydrophobicContact CD2-CZ 3.77Å; L194-F230 HydrophobicContact CG-CD1 4.03Å; L194-F230 HydrophobicContact CG-CE1 4.29Å; L194-F230 HydrophobicContact CG-CG 4.29Å; L226-F230 PolarHBondContact O-N 2.74Å; F227-F230 CarbonylContact O-C 3.56Å; F227-F230 WeakPolarHBondContact O-CB 3.31Å; F227-F230 PolarHBondContact O-N 3.32Å; W228-F230 PolarHBondContact O-N 3.28Å; F230-H232 VanDerWaalsContact C-N 3.32Å; F230-H232 PolarHBondContact O-N 2.93Å; F230-P233 WeakPolarHBondContact O-CD 3.41Å; F230-E234 HydrophobicContact CD2-CB 4.47Å; F230-E234 HydrophobicContact CE1-CB 4.29Å; F230-E234 HydrophobicContact CE1-CG 4.29Å; F230-E234 HydrophobicContact CE2-CB 3.83Å; F230-E234 HydrophobicContact CE2-CG 3.99Å; F230-E234 WeakPolarHBondContact CE2-OE2 3.26Å; F230-E234 HydrophobicContact CZ-CB 3.74Å; F230-E234 HydrophobicContact CZ-CG 3.56Å; F230-E234 PolarHBondContact O-N 3.05Å
231G92.1Very high95.6Very high0 Ų067.5 Ų67.50%033%0.332CS..Hα-helixtrans-70.4-25-162.800000114.2F227 W228F227-G231 PolarHBondContact O-N 2.93Å; W228-G231 PolarHBondContact O-N 3.3Å
232H94.6Very high95.4Very high138 Ų13866.4 Ų66.464%0.63932%0.324SS*.THydrogen-bonded Turntrans-80-43.3174.3-166.363.5000113.1W228 F230 E234 V235W228-H232 PolarHBondContact O-N 2.8Å; F230-H232 VanDerWaalsContact C-N 3.32Å; F230-H232 PolarHBondContact O-N 2.93Å; H232-E234 PolarHBondContact O-N 2.74Å; H232-V235 WeakPolarHBondContact O-CG2 3.4Å; H232-V235 PolarHBondContact O-N 3.23Å
233P93.9Very high95.2Very high47 Ų4766 Ų6631%0.30532%0.321SS..THydrogen-bonded Turntrans-59.9-21.1168.3-30.136.4000116F229 F230F229-P233 WeakPolarHBondContact O-CD 3.25Å; F229-P233 VanDerWaalsContact O-CG 3.26Å; F229-P233 WeakPolarHBondContact O-CG 3.49Å; F230-P233 WeakPolarHBondContact O-CD 3.41Å
234E90.8Very high94.9Very high32 Ų3271.5 Ų71.515%0.1535%0.348CS..THydrogen-bonded Turntrans-77.7-25.7179.2-179.659.2-155.800113.8M63 L187 F230 H232M63-E234 WeakPolarHBondContact CE-OE1 3.45Å; L187-E234 WeakPolarHBondContact CD2-OE2 3.39Å; F230-E234 HydrophobicContact CD2-CB 4.47Å; F230-E234 HydrophobicContact CE1-CB 4.29Å; F230-E234 HydrophobicContact CE1-CG 4.29Å; F230-E234 HydrophobicContact CE2-CB 3.83Å; F230-E234 HydrophobicContact CE2-CG 3.99Å; F230-E234 WeakPolarHBondContact CE2-OE2 3.26Å; F230-E234 HydrophobicContact CZ-CB 3.74Å; F230-E234 HydrophobicContact CZ-CG 3.56Å; F230-E234 PolarHBondContact O-N 3.05Å; H232-E234 PolarHBondContact O-N 2.74Å
235V81.6Confident94.6Very high147 Ų14771.5 Ų71.589%0.89135%0.349SS*.  trans-95.10-176.2-64.70000113.2H232H232-V235 WeakPolarHBondContact O-CG2 3.4Å; H232-V235 PolarHBondContact O-N 3.23Å

Retrieved 235 of 235 residues in 174.6 ms (Link to these results)