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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 A0A023UHN6, 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
1S88.6Confident97.5Very high70 Ų7044.3 Ų44.349%0.4925%0.247SC..  01620-176.80000108.2N3 D6 N91S1-N3 PolarHBondContact OG-N 3Å; S1-D6 WeakPolarHBondContact CB-OD2 3.42Å; S1-D6 WeakPolarHBondContact OG-CB 3.42Å; S1-D6 PolarHBondContact OG-OD2 2.53Å; S1-N91 WeakPolarHBondContact O-CB 3.41Å; S1-N91 PolarHBondContact O-OD1 2.85Å; S1-N91 VanDerWaalsContact O-OD1 3.06Å
2T96.1Very high97.6Very high73 Ų7345 Ų4545%0.44825%0.246SC..  trans-111.7-10.2166.551.30000112.4P87 R88T2-P87 WeakPolarHBondContact O-CB 3.05Å; T2-R88 HydrophobicContact CG2-CG 3.98Å
3N98.1Very high97.7Very high59 Ų5950 Ų5032%0.31627%0.27SS..  trans-73.1130.1-178.5-173.5-76.2000110.8S1 K5 D6 I7S1-N3 PolarHBondContact OG-N 3Å; N3-K5 PolarHBondContact O-N 3.36Å; N3-K5 WeakPolarHBondContact OD1-CA 3.45Å; N3-K5 WeakPolarHBondContact OD1-CB 3.15Å; N3-K5 PolarHBondContact OD1-N 3.19Å; N3-D6 HydrophobicContact CB-CB 4.47Å; N3-D6 PolarHBondContact O-N 3.18Å; N3-I7 WeakPolarHBondContact O-CG1 3.38Å; N3-I7 PolarHBondContact O-N 2.87Å; N3-I7 VanDerWaalsContact O-N 3.16Å
4H98.4Very high97.7Very high4 Ų448.1 Ų48.12%0.01926%0.258CS..Hα-helixtrans-58-29.9179.470.3101.8000114.8G8 N72 P76 D83 M84H4-G8 PolarHBondContact O-N 3.29Å; H4-N72 PolarHBondContact ND1-O 3.47Å; H4-P76 HydrophobicContact CB-CG 4.33Å; H4-D83 VanDerWaalsContact CB-OD1 3.24Å; H4-D83 WeakPolarHBondContact CB-OD1 3.27Å; H4-D83 IonicContact CD2-OD1 3.35Å; H4-D83 PolarHBondContact CD2-OD1 3.25Å; H4-D83 IonicContact CG-OD1 3.61Å; H4-D83 PolarHBondContact N-OD1 2.92Å; H4-M84 HydrophobicContact CB-CG 3.79Å
5K98.6Very high97.8Very high80 Ų8044.9 Ų44.935%0.34824%0.241SC..Hα-helixtrans-70.9-49.7178.2-59.6-178.8-176.5175.80110.8N3 I7 G8 T9 W73N3-K5 PolarHBondContact O-N 3.36Å; N3-K5 WeakPolarHBondContact OD1-CA 3.45Å; N3-K5 WeakPolarHBondContact OD1-CB 3.15Å; N3-K5 PolarHBondContact OD1-N 3.19Å; K5-I7 PolarHBondContact O-N 2.99Å; K5-G8 PolarHBondContact O-N 3.34Å; K5-G8 VanDerWaalsContact O-N 3.09Å; K5-T9 PolarHBondContact O-N 3.36Å; K5-T9 PolarHBondContact O-OG1 3.26Å; K5-W73 HydrophobicContact CB-CD2 4.47Å; K5-W73 HydrophobicContact CB-CE3 3.83Å; K5-W73 HydrophobicContact CB-CH2 4.02Å; K5-W73 HydrophobicContact CB-CZ3 3.54Å; K5-W73 HydrophobicContact CG-CE3 4.35Å; K5-W73 HydrophobicContact CG-CZ3 4.36Å; K5-W73 VanDerWaalsContact O-CE3 3.23Å; K5-W73 WeakPolarHBondContact O-CZ3 3.25Å
6D98.6Very high97.9Very high83 Ų8345.4 Ų45.444%0.44425%0.253SS..Hα-helixtrans-56-45176.9-63-15.8000110.9S1 N3 T9 L10S1-D6 WeakPolarHBondContact CB-OD2 3.42Å; S1-D6 WeakPolarHBondContact OG-CB 3.42Å; S1-D6 PolarHBondContact OG-OD2 2.53Å; N3-D6 HydrophobicContact CB-CB 4.47Å; N3-D6 PolarHBondContact O-N 3.18Å; D6-T9 PolarHBondContact O-N 3.12Å; D6-L10 WeakPolarHBondContact O-CG 3.32Å; D6-L10 PolarHBondContact O-N 3.13Å
7I98.7Very high97.9Very high0 Ų050.4 Ų50.40%027%0.268CS..Hα-helixtrans-64.1-44.5177.6-64.3165.7000110.5N3 K5 T9 L10 Y11 N90 N91 F94N3-I7 WeakPolarHBondContact O-CG1 3.38Å; N3-I7 PolarHBondContact O-N 2.87Å; N3-I7 VanDerWaalsContact O-N 3.16Å; K5-I7 PolarHBondContact O-N 2.99Å; I7-T9 VanDerWaalsContact C-N 3.35Å; I7-T9 PolarHBondContact O-N 2.93Å; I7-L10 WeakPolarHBondContact O-CB 3.36Å; I7-L10 PolarHBondContact O-N 3.3Å; I7-L10 VanDerWaalsContact O-N 3.15Å; I7-Y11 HydrophobicContact CG2-CD2 3.79Å; I7-Y11 HydrophobicContact CG2-CE2 3.59Å; I7-Y11 VanDerWaalsContact O-CD2 3.25Å; I7-Y11 WeakPolarHBondContact O-CD2 3.38Å; I7-Y11 PolarHBondContact O-N 2.9Å; I7-N90 HydrophobicContact CD1-CB 4.08Å; I7-N91 HydrophobicContact CD1-CB 3.88Å; I7-F94 HydrophobicContact CG2-CB 4.14Å
8G98.6Very high98Very high0 Ų047.6 Ų47.60%025%0.253CS..Hα-helixtrans-58.4-42.1174.700000113.1H4 K5 Y11 F12H4-G8 PolarHBondContact O-N 3.29Å; K5-G8 PolarHBondContact O-N 3.34Å; K5-G8 VanDerWaalsContact O-N 3.09Å; G8-Y11 WeakPolarHBondContact O-CB 3.37Å; G8-Y11 PolarHBondContact O-N 3Å; G8-F12 WeakPolarHBondContact O-CD2 3.36Å; G8-F12 PolarHBondContact O-N 3.45Å
9T98.8Very high98Very high55 Ų5545.4 Ų45.434%0.33724%0.243SC..Hα-helixtrans-62.1-42.8173.2-67.80000111.8K5 D6 I7 Y11 F12 I13 W73K5-T9 PolarHBondContact O-N 3.36Å; K5-T9 PolarHBondContact O-OG1 3.26Å; D6-T9 PolarHBondContact O-N 3.12Å; I7-T9 VanDerWaalsContact C-N 3.35Å; I7-T9 PolarHBondContact O-N 2.93Å; T9-Y11 VanDerWaalsContact C-N 3.31Å; T9-Y11 PolarHBondContact O-N 3.26Å; T9-F12 PolarHBondContact O-N 3.26Å; T9-F12 VanDerWaalsContact O-N 3.16Å; T9-I13 HydrophobicContact CG2-CD1 3.75Å; T9-I13 HydrophobicContact CG2-CG1 4.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.35Å; T9-I13 PolarHBondContact O-N 2.66Å; T9-W73 WeakPolarHBondContact OG1-CZ3 3.44Å
10L98.8Very high98Very high55 Ų5549.5 Ų49.529%0.28826%0.262SS..Hα-helixtrans-61-41.8177.4-72.8174.2000111.5D6 I7 F12 I13 F14 F94D6-L10 WeakPolarHBondContact O-CG 3.32Å; D6-L10 PolarHBondContact O-N 3.13Å; I7-L10 WeakPolarHBondContact O-CB 3.36Å; I7-L10 PolarHBondContact O-N 3.3Å; I7-L10 VanDerWaalsContact O-N 3.15Å; L10-F12 PolarHBondContact O-N 2.89Å; L10-I13 PolarHBondContact O-N 2.83Å; L10-F14 VanDerWaalsContact O-CB 3.25Å; L10-F14 WeakPolarHBondContact O-CB 3.42Å; L10-F14 PolarHBondContact O-N 3.37Å; L10-F94 VanDerWaalsContact C-CE2 3.42Å; L10-F94 HydrophobicContact CB-CD1 4.2Å; L10-F94 HydrophobicContact CB-CD2 4.07Å; L10-F94 HydrophobicContact CB-CE1 3.82Å; L10-F94 HydrophobicContact CB-CE2 3.68Å; L10-F94 HydrophobicContact CB-CG 4.32Å; L10-F94 HydrophobicContact CB-CZ 3.57Å; L10-F94 HydrophobicContact CD1-CD1 4.09Å; L10-F94 HydrophobicContact CD1-CE1 3.91Å; L10-F94 HydrophobicContact CD1-CZ 4.48Å; L10-F94 HydrophobicContact CD2-CZ 4.49Å; L10-F94 HydrophobicContact CG-CE1 4.31Å; L10-F94 HydrophobicContact CG-CZ 4.4Å; L10-F94 WeakPolarHBondContact O-CE2 3.46Å
11Y98.8Very high98Very high8 Ų848.7 Ų48.73%0.03126%0.259CS..Hα-helixtrans-58.7-43.7172.2-86.7-71.4000112.7I7 G8 T9 G15 P64 G68 S93 F94 L97I7-Y11 HydrophobicContact CG2-CD2 3.79Å; I7-Y11 HydrophobicContact CG2-CE2 3.59Å; I7-Y11 VanDerWaalsContact O-CD2 3.25Å; I7-Y11 WeakPolarHBondContact O-CD2 3.38Å; I7-Y11 PolarHBondContact O-N 2.9Å; G8-Y11 WeakPolarHBondContact O-CB 3.37Å; G8-Y11 PolarHBondContact O-N 3Å; T9-Y11 VanDerWaalsContact C-N 3.31Å; T9-Y11 PolarHBondContact O-N 3.26Å; Y11-G15 PolarHBondContact O-N 3.42Å; Y11-P64 HydrophobicContact CD1-CB 4Å; Y11-G68 WeakPolarHBondContact CD2-O 3.34Å; Y11-S93 VanDerWaalsContact OH-C 3.27Å; Y11-S93 PolarHBondContact OH-OG 2.61Å; Y11-F94 AromaticContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD2-CB 4.36Å; Y11-F94 HydrophobicContact CD2-CD2 4.05Å; Y11-F94 HydrophobicContact CE1-CB 4.42Å; Y11-F94 HydrophobicContact CE1-CD2 4.06Å; Y11-F94 HydrophobicContact CE2-CB 3.73Å; Y11-F94 HydrophobicContact CE2-CD2 4.16Å; Y11-F94 HydrophobicContact CE2-CG 4.41Å; Y11-F94 AromaticContact CG-CD2 3.91Å; Y11-F94 HydrophobicContact CG-CD2 3.91Å; Y11-F94 WeakPolarHBondContact OH-CA 3.49Å; Y11-F94 PolarHBondContact OH-N 3.01Å; Y11-F94 VanDerWaalsContact OH-N 3.08Å; Y11-L97 HydrophobicContact CD1-CD1 3.92Å; Y11-L97 HydrophobicContact CE1-CD1 3.44Å; Y11-L97 VanDerWaalsContact CE1-CD1 3.44Å
12F98.8Very high98.5Very high53 Ų5345.3 Ų45.323%0.23224%0.235CC..Hα-helixtrans-64.1-46.3176.9-72.8-53.7000112.8G8 T9 L10 G15 A16 I65 F70 W73G8-F12 WeakPolarHBondContact O-CD2 3.36Å; G8-F12 PolarHBondContact O-N 3.45Å; T9-F12 PolarHBondContact O-N 3.26Å; T9-F12 VanDerWaalsContact O-N 3.16Å; L10-F12 PolarHBondContact O-N 2.89Å; F12-G15 PolarHBondContact O-N 3.03Å; F12-A16 VanDerWaalsContact O-CB 3.23Å; F12-A16 WeakPolarHBondContact O-CB 3.13Å; F12-A16 PolarHBondContact O-N 2.97Å; F12-I65 HydrophobicContact CD1-CG2 4.13Å; F12-I65 HydrophobicContact CE1-CG2 4.07Å; F12-F70 HydrophobicContact CE1-CD1 4.1Å; F12-F70 AromaticContact CE1-CD2 3.75Å; F12-F70 HydrophobicContact CE1-CD2 3.75Å; F12-F70 HydrophobicContact CE1-CE1 4.14Å; F12-F70 AromaticContact CE1-CE2 3.8Å; F12-F70 HydrophobicContact CE1-CE2 3.8Å; F12-F70 AromaticContact CE1-CG 3.91Å; F12-F70 HydrophobicContact CE1-CG 3.91Å; F12-F70 AromaticContact CE1-CZ 3.99Å; F12-F70 HydrophobicContact CE1-CZ 3.99Å; F12-F70 HydrophobicContact CZ-CB 4.31Å; F12-F70 AromaticContact CZ-CD1 3.59Å; F12-F70 HydrophobicContact CZ-CD1 3.59Å; F12-F70 HydrophobicContact CZ-CD2 4.06Å; F12-F70 AromaticContact CZ-CE1 3.83Å; F12-F70 HydrophobicContact CZ-CE1 3.83Å; F12-F70 HydrophobicContact CZ-CE2 4.28Å; F12-F70 AromaticContact CZ-CG 3.71Å; F12-F70 HydrophobicContact CZ-CG 3.71Å; F12-F70 HydrophobicContact CZ-CZ 4.17Å; F12-F70 VanDerWaalsContact CZ-N 3.27Å; F12-W73 HydrophobicContact CE2-CB 4.39Å
13I98.8Very high98.6Very high110 Ų11045.1 Ų45.156%0.56423%0.234SC*.Hα-helixtrans-62.2-47.4179.3-66.8169.5000110T9 L10 W17T9-I13 HydrophobicContact CG2-CD1 3.75Å; T9-I13 HydrophobicContact CG2-CG1 4.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.35Å; T9-I13 PolarHBondContact O-N 2.66Å; L10-I13 PolarHBondContact O-N 2.83Å; I13-W17 WeakPolarHBondContact O-CB 3.41Å; I13-W17 PolarHBondContact O-N 2.85Å
14F98.8Very high98.6Very high23 Ų2345.1 Ų45.110%0.10124%0.239CC..Hα-helixtrans-60.5-50.8177.9176.1-94.7000111.7L10 A16 W17 A18 F60 P64 F94 L97 P98 L101L10-F14 VanDerWaalsContact O-CB 3.25Å; L10-F14 WeakPolarHBondContact O-CB 3.42Å; L10-F14 PolarHBondContact O-N 3.37Å; F14-A16 PolarHBondContact O-N 3.35Å; F14-W17 PolarHBondContact O-N 3Å; F14-A18 WeakPolarHBondContact O-CB 3.3Å; F14-A18 PolarHBondContact O-N 3.49Å; F14-F60 HydrophobicContact CE1-CB 4.27Å; F14-F60 AromaticContact CE1-CD1 3.99Å; F14-F60 HydrophobicContact CE1-CD1 3.99Å; F14-F60 AromaticContact CZ-CD1 3.81Å; F14-F60 HydrophobicContact CZ-CD1 3.81Å; F14-P64 HydrophobicContact CD1-CB 4.2Å; F14-P64 HydrophobicContact CD1-CG 4.37Å; F14-P64 HydrophobicContact CE1-CG 4.26Å; F14-F94 HydrophobicContact CB-CE2 3.88Å; F14-F94 HydrophobicContact CB-CZ 4.34Å; F14-F94 HydrophobicContact CG-CE2 4.35Å; F14-L97 HydrophobicContact CD1-CB 4.37Å; F14-L97 HydrophobicContact CD1-CD1 4.18Å; F14-L97 HydrophobicContact CE1-CB 3.77Å; F14-L97 HydrophobicContact CE1-CD1 4.01Å; F14-L97 HydrophobicContact CE1-CG 4.47Å; F14-L97 HydrophobicContact CE2-CB 4.36Å; F14-L97 HydrophobicContact CZ-CB 3.75Å; F14-P98 HydrophobicContact CD2-CG 4.34Å; F14-P98 HydrophobicContact CE2-CB 4.5Å; F14-P98 HydrophobicContact CE2-CG 4.25Å; F14-L101 HydrophobicContact CE2-CB 4.27Å; F14-L101 HydrophobicContact CE2-CD2 3.76Å; F14-L101 HydrophobicContact CZ-CB 3.93Å; F14-L101 HydrophobicContact CZ-CD2 3.67Å; F14-L101 HydrophobicContact CZ-CG 4.45Å
15G98.7Very high98.6Very high0 Ų046.2 Ų46.20%024%0.244CC..Hα-helixtrans-64.5-38.7-178.500000112.9Y11 F12 G19 F60Y11-G15 PolarHBondContact O-N 3.42Å; F12-G15 PolarHBondContact O-N 3.03Å; G15-G19 PolarHBondContact O-N 3.35Å; G15-F60 WeakPolarHBondContact CA-O 3.17Å
16A98.7Very high98.6Very high53 Ų5344 Ų4444%0.43824%0.239SC..Hα-helixtrans-64.3-42.8174.100000111.6F12 F14 G19 M20F12-A16 VanDerWaalsContact O-CB 3.23Å; F12-A16 WeakPolarHBondContact O-CB 3.13Å; F12-A16 PolarHBondContact O-N 2.97Å; F14-A16 PolarHBondContact O-N 3.35Å; A16-G19 PolarHBondContact O-N 3.12Å; A16-M20 WeakPolarHBondContact O-CG 3.46Å; A16-M20 PolarHBondContact O-N 3.06Å
17W98.7Very high98.6Very high130 Ų13045.4 Ų45.449%0.49225%0.245SC..Hα-helixtrans-64-49.4176.6-173.992.6000112I13 F14 G19 M20 V21 L101 L105I13-W17 WeakPolarHBondContact O-CB 3.41Å; I13-W17 PolarHBondContact O-N 2.85Å; F14-W17 PolarHBondContact O-N 3Å; W17-G19 VanDerWaalsContact C-N 3.29Å; W17-G19 PolarHBondContact O-N 3.03Å; W17-M20 HydrophobicContact CB-CE 4.49Å; W17-M20 WeakPolarHBondContact O-CB 3.26Å; W17-M20 PolarHBondContact O-N 3.17Å; W17-M20 VanDerWaalsContact O-N 3.17Å; W17-V21 HydrophobicContact CD2-CG2 4.37Å; W17-V21 HydrophobicContact CE3-CG2 4.08Å; W17-V21 HydrophobicContact CH2-CG2 3.74Å; W17-V21 HydrophobicContact CZ2-CG2 4.05Å; W17-V21 HydrophobicContact CZ3-CG2 3.76Å; W17-V21 PolarHBondContact O-N 3.36Å; W17-L101 HydrophobicContact CE3-CD2 4.09Å; W17-L101 HydrophobicContact CZ3-CD2 3.71Å; W17-L105 HydrophobicContact CH2-CD1 4.49Å
18A98.7Very high98.6Very high0 Ų049.5 Ų49.50%027%0.267CS..Hα-helixtrans-60.7-40.2176.500000111.2F14 M20 V21 G22 I56 F60 L101F14-A18 WeakPolarHBondContact O-CB 3.3Å; F14-A18 PolarHBondContact O-N 3.49Å; A18-M20 VanDerWaalsContact C-N 3.33Å; A18-M20 PolarHBondContact O-N 3.27Å; A18-V21 WeakPolarHBondContact O-CB 3.38Å; A18-V21 PolarHBondContact O-N 3.19Å; A18-V21 VanDerWaalsContact O-N 3.13Å; A18-G22 PolarHBondContact O-N 2.97Å; A18-I56 HydrophobicContact CB-CG2 4.3Å; A18-I56 WeakPolarHBondContact O-CG2 3.35Å; A18-F60 HydrophobicContact CB-CB 3.92Å; A18-F60 WeakPolarHBondContact CB-O 3.37Å; A18-L101 HydrophobicContact CB-CD2 3.97Å
19G98.6Very high98.6Very high6 Ų650.4 Ų50.46%0.06227%0.271CS..Hα-helixtrans-61.2-36.6175.400000113.6G15 A16 W17 G22 T23 M61G15-G19 PolarHBondContact O-N 3.35Å; A16-G19 PolarHBondContact O-N 3.12Å; W17-G19 VanDerWaalsContact C-N 3.29Å; W17-G19 PolarHBondContact O-N 3.03Å; G19-G22 PolarHBondContact O-N 2.83Å; G19-T23 VanDerWaalsContact O-CB 3.31Å; G19-T23 WeakPolarHBondContact O-CB 3.43Å; G19-T23 PolarHBondContact O-N 3.49Å; G19-T23 PolarHBondContact O-OG1 3.02Å; G19-M61 VanDerWaalsContact CA-SD 3.55Å
20M98.6Very high98.6Very high128 Ų12856.4 Ų56.463%0.63129%0.288SS*.Hα-helixtrans-64.6-41.6172.6-71.6-173-68.400111.8A16 W17 A18 T23 S24A16-M20 WeakPolarHBondContact O-CG 3.46Å; A16-M20 PolarHBondContact O-N 3.06Å; W17-M20 HydrophobicContact CB-CE 4.49Å; W17-M20 WeakPolarHBondContact O-CB 3.26Å; W17-M20 PolarHBondContact O-N 3.17Å; W17-M20 VanDerWaalsContact O-N 3.17Å; A18-M20 VanDerWaalsContact C-N 3.33Å; A18-M20 PolarHBondContact O-N 3.27Å; M20-T23 PolarHBondContact O-N 3.01Å; M20-S24 PolarHBondContact O-N 3.43Å
21V98.6Very high98.5Very high32 Ų3255.9 Ų55.919%0.19429%0.292CS..Hα-helixtrans-64.4-46174.4179.50000110.9W17 A18 T23 S24 L25 I56 L105W17-V21 HydrophobicContact CD2-CG2 4.37Å; W17-V21 HydrophobicContact CE3-CG2 4.08Å; W17-V21 HydrophobicContact CH2-CG2 3.74Å; W17-V21 HydrophobicContact CZ2-CG2 4.05Å; W17-V21 HydrophobicContact CZ3-CG2 3.76Å; W17-V21 PolarHBondContact O-N 3.36Å; A18-V21 WeakPolarHBondContact O-CB 3.38Å; A18-V21 PolarHBondContact O-N 3.19Å; A18-V21 VanDerWaalsContact O-N 3.13Å; V21-T23 VanDerWaalsContact C-N 3.31Å; V21-T23 PolarHBondContact O-N 3.17Å; V21-S24 PolarHBondContact O-N 2.93Å; V21-S24 PolarHBondContact O-OG 2.87Å; V21-L25 WeakPolarHBondContact O-CG 3.39Å; V21-L25 PolarHBondContact O-N 3.41Å; V21-L25 VanDerWaalsContact O-N 3.15Å; V21-I56 HydrophobicContact CG1-CD1 3.94Å; V21-L105 HydrophobicContact CG1-CD2 4.41Å
22G98.5Very high98.4Very high0 Ų056.5 Ų56.50%030%0.295CS..Hα-helixtrans-61.3-40.9177.200000112.1A18 G19 L25 S26 H53A18-G22 PolarHBondContact O-N 2.97Å; G19-G22 PolarHBondContact O-N 2.83Å; G22-L25 PolarHBondContact O-N 3.48Å; G22-S26 PolarHBondContact O-N 3.47Å; G22-H53 PolarHBondContact O-CE1 3.31Å; G22-H53 PolarHBondContact O-ND1 3.5Å
23T98.5Very high98.3Very high69 Ų6958.9 Ų58.942%0.42331%0.31SS..Hα-helixtrans-67.2-38.5178-57.30000111.9G19 M20 V21 L25 S26 I27G19-T23 VanDerWaalsContact O-CB 3.31Å; G19-T23 WeakPolarHBondContact O-CB 3.43Å; G19-T23 PolarHBondContact O-N 3.49Å; G19-T23 PolarHBondContact O-OG1 3.02Å; M20-T23 PolarHBondContact O-N 3.01Å; V21-T23 VanDerWaalsContact C-N 3.31Å; V21-T23 PolarHBondContact O-N 3.17Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 3.4Å; T23-S26 WeakPolarHBondContact O-CB 3.24Å; T23-S26 PolarHBondContact O-N 3.35Å; T23-S26 VanDerWaalsContact O-N 3.13Å; T23-I27 HydrophobicContact CG2-CD1 4.47Å; T23-I27 WeakPolarHBondContact O-CG1 3.3Å; T23-I27 PolarHBondContact O-N 3.43Å
24S98.4Very high98.3Very high58 Ų5856.5 Ų56.541%0.40631%0.312SS..Hα-helixtrans-63.7-4017670.10000111.7M20 V21 S26 I27 L28M20-S24 PolarHBondContact O-N 3.43Å; V21-S24 PolarHBondContact O-N 2.93Å; V21-S24 PolarHBondContact O-OG 2.87Å; S24-S26 VanDerWaalsContact C-N 3.33Å; S24-S26 PolarHBondContact O-N 3.44Å; S24-I27 PolarHBondContact O-N 2.87Å; S24-L28 PolarHBondContact O-N 3.35Å; S24-L28 VanDerWaalsContact O-N 3.15Å
25L98.5Very high98Very high27 Ų2761 Ų6114%0.14133%0.333CS..Hα-helixtrans-61.8-39.9171.5-61.9175.7000111.8V21 G22 T23 I27 L28 I29 I49 A52 H53 I56V21-L25 WeakPolarHBondContact O-CG 3.39Å; V21-L25 PolarHBondContact O-N 3.41Å; V21-L25 VanDerWaalsContact O-N 3.15Å; G22-L25 PolarHBondContact O-N 3.48Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 3.4Å; L25-I27 VanDerWaalsContact C-N 3.28Å; L25-I27 PolarHBondContact O-N 3.25Å; L25-L28 HydrophobicContact CD2-CD1 4.46Å; L25-L28 WeakPolarHBondContact O-CB 3.27Å; L25-L28 PolarHBondContact O-N 2.85Å; L25-I29 WeakPolarHBondContact O-CG1 3.43Å; L25-I29 PolarHBondContact O-N 3.47Å; L25-I49 HydrophobicContact CB-CG2 4.01Å; L25-I49 HydrophobicContact CD2-CG2 4.06Å; L25-A52 HydrophobicContact CD1-CB 3.89Å; L25-H53 HydrophobicContact CB-CB 3.91Å; L25-H53 HydrophobicContact CD1-CB 4.34Å; L25-I56 HydrophobicContact CD1-CD1 3.83Å
26S98.4Very high97.8Very high34 Ų3467.2 Ų67.224%0.23837%0.373CS..Hα-helixtrans-60.2-38.1174.3-174.70000112.5G22 T23 S24 L28 I29 R30G22-S26 PolarHBondContact O-N 3.47Å; T23-S26 WeakPolarHBondContact O-CB 3.24Å; T23-S26 PolarHBondContact O-N 3.35Å; T23-S26 VanDerWaalsContact O-N 3.13Å; S24-S26 VanDerWaalsContact C-N 3.33Å; S24-S26 PolarHBondContact O-N 3.44Å; S26-L28 VanDerWaalsContact C-N 3.34Å; S26-I29 PolarHBondContact O-N 3.08Å; S26-R30 VanDerWaalsContact O-CG 3.28Å; S26-R30 WeakPolarHBondContact O-CG 3.32Å; S26-R30 PolarHBondContact O-N 2.93Å
27I98.4Very high97.4Very high112 Ų11267.7 Ų67.757%0.57438%0.383SS*.Hα-helixtrans-65.9-41.4178.2-68.2167.6000109.9T23 S24 L25 R30 A31T23-I27 HydrophobicContact CG2-CD1 4.47Å; T23-I27 WeakPolarHBondContact O-CG1 3.3Å; T23-I27 PolarHBondContact O-N 3.43Å; S24-I27 PolarHBondContact O-N 2.87Å; L25-I27 VanDerWaalsContact C-N 3.28Å; L25-I27 PolarHBondContact O-N 3.25Å; I27-R30 PolarHBondContact O-N 2.99Å; I27-A31 WeakPolarHBondContact O-CB 3.36Å; I27-A31 PolarHBondContact O-N 3.42Å
28L98Very high97Very high87 Ų8765 Ų6546%0.45539%0.388SS..Hα-helixtrans-61.3-44.5175.3-65.6175.6000112S24 L25 S26 R30 A31 E32 I49S24-L28 PolarHBondContact O-N 3.35Å; S24-L28 VanDerWaalsContact O-N 3.15Å; L25-L28 HydrophobicContact CD2-CD1 4.46Å; L25-L28 WeakPolarHBondContact O-CB 3.27Å; L25-L28 PolarHBondContact O-N 2.85Å; S26-L28 VanDerWaalsContact C-N 3.34Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 3.35Å; L28-A31 PolarHBondContact O-N 3.3Å; L28-E32 PolarHBondContact O-N 3.25Å; L28-I49 HydrophobicContact CB-CG2 4.43Å; L28-I49 HydrophobicContact CD1-CD1 4.39Å
29I98.4Very high96.8Very high18 Ų1870.1 Ų70.19%0.09242%0.415CS..Hα-helixtrans-57.8-46.4175.3-64.8163.3000110.5L25 S26 A31 E32 L33 Y46 I49 V50 H53L25-I29 WeakPolarHBondContact O-CG1 3.43Å; L25-I29 PolarHBondContact O-N 3.47Å; S26-I29 PolarHBondContact O-N 3.08Å; I29-A31 VanDerWaalsContact C-N 3.35Å; I29-E32 PolarHBondContact O-N 2.99Å; I29-L33 HydrophobicContact CG2-CD1 4.14Å; I29-L33 WeakPolarHBondContact O-CG 3.26Å; I29-L33 PolarHBondContact O-N 3.44Å; I29-L33 VanDerWaalsContact O-N 3.11Å; I29-Y46 HydrophobicContact CB-CE2 4.47Å; I29-Y46 HydrophobicContact CG2-CE2 3.99Å; I29-I49 HydrophobicContact CD1-CG2 4.08Å; I29-I49 HydrophobicContact CG1-CG2 3.66Å; I29-V50 HydrophobicContact CD1-CB 4.38Å; I29-V50 HydrophobicContact CD1-CG2 3.83Å; I29-V50 HydrophobicContact CG1-CG2 3.9Å; I29-V50 HydrophobicContact CG2-CG2 4.38Å; I29-H53 HydrophobicContact CD1-CB 3.9Å
30R98.1Very high96.7Very high181 Ų18172.6 Ų72.668%0.68343%0.427SS*.Hα-helixtrans-70.8-30.7-179.5-66.4-65-177.1-179.2-0.7112.9S26 I27 L28 G34S26-R30 VanDerWaalsContact O-CG 3.28Å; S26-R30 WeakPolarHBondContact O-CG 3.32Å; S26-R30 PolarHBondContact O-N 2.93Å; I27-R30 PolarHBondContact O-N 2.99Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 3.35Å; R30-G34 PolarHBondContact O-N 3.38Å; R30-G34 VanDerWaalsContact O-N 3.15Å
31A97.3Very high96.5Very high44 Ų4469.5 Ų69.536%0.36443%0.427SS..Hα-helixtrans-67.4-44.5173.900000111.1I27 L28 I29 L33 G34 L39I27-A31 WeakPolarHBondContact O-CB 3.36Å; I27-A31 PolarHBondContact O-N 3.42Å; L28-A31 PolarHBondContact O-N 3.3Å; I29-A31 VanDerWaalsContact C-N 3.35Å; A31-L33 VanDerWaalsContact C-N 3.31Å; A31-L33 PolarHBondContact O-N 3.24Å; A31-G34 PolarHBondContact O-N 2.95Å; A31-L39 HydrophobicContact CB-CD2 3.95Å
32E97.3Very high96.4Very high22 Ų2271.4 Ų71.410%0.10344%0.436CS..Hα-helixtrans-58.2-43.8174.2-173.562.3-149.300111.5L28 I29 G34 A38 L39 I40 Y46L28-E32 PolarHBondContact O-N 3.25Å; I29-E32 PolarHBondContact O-N 2.99Å; E32-G34 VanDerWaalsContact C-N 3.27Å; E32-G34 PolarHBondContact O-N 2.75Å; E32-A38 WeakPolarHBondContact OE1-CA 3.29Å; E32-L39 PolarHBondContact OE1-N 2.96Å; E32-L39 WeakPolarHBondContact OE2-CA 3.49Å; E32-L39 VanDerWaalsContact OE2-CB 3.23Å; E32-L39 WeakPolarHBondContact OE2-CB 3.4Å; E32-L39 PolarHBondContact OE2-N 3.35Å; E32-I40 HydrophobicContact CB-CD1 4.14Å; E32-I40 HydrophobicContact CG-CD1 4.16Å; E32-I40 WeakPolarHBondContact OE2-CB 3.35Å; E32-I40 WeakPolarHBondContact OE2-CD1 3.31Å; E32-I40 WeakPolarHBondContact OE2-CG1 3.36Å; E32-I40 PolarHBondContact OE2-N 3.29Å; E32-Y46 HydrophobicContact CB-CD2 4.1Å; E32-Y46 HydrophobicContact CB-CE2 4.14Å; E32-Y46 HydrophobicContact CG-CD2 3.81Å; E32-Y46 HydrophobicContact CG-CE2 4.1Å
33L97.5Very high96.2Very high103 Ų10377.5 Ų77.554%0.53947%0.469SS..THydrogen-bonded Turntrans-83.76.4-178.3-62.2178.5000114.3I29 A31 H35 Y46I29-L33 HydrophobicContact CG2-CD1 4.14Å; I29-L33 WeakPolarHBondContact O-CG 3.26Å; I29-L33 PolarHBondContact O-N 3.44Å; I29-L33 VanDerWaalsContact O-N 3.11Å; A31-L33 VanDerWaalsContact C-N 3.31Å; A31-L33 PolarHBondContact O-N 3.24Å; L33-H35 VanDerWaalsContact C-N 3.34Å; L33-H35 PolarHBondContact O-N 3.46Å; L33-Y46 WeakPolarHBondContact CD1-OH 3.35Å; L33-Y46 HydrophobicContact CG-CE2 4.37Å
34G96.9Very high96.2Very high59 Ų5976.6 Ų76.661%0.60846%0.46SS*.THydrogen-bonded Turntrans-69.7-28.3-173.300000114.1R30 A31 E32R30-G34 PolarHBondContact O-N 3.38Å; R30-G34 VanDerWaalsContact O-N 3.15Å; A31-G34 PolarHBondContact O-N 2.95Å; E32-G34 VanDerWaalsContact C-N 3.27Å; E32-G34 PolarHBondContact O-N 2.75Å
35H93.8Very high96.2Very high117 Ų11777.7 Ų77.754%0.54246%0.461SS..SBendtrans-153.4157.5174.454.968.4000109.9L33L33-H35 VanDerWaalsContact C-N 3.34Å; L33-H35 PolarHBondContact O-N 3.46Å
36P94.1Very high96.2Very high132 Ų13279 Ų7986%0.85746%0.464SS*.SBendtrans-56.5145.5170.9-22.733.7000111.8
37G91.4Very high96.2Very high62 Ų6280.4 Ų80.464%0.63947%0.469SS*.SBendtrans120.6-176.3-173.500000111.2
38A90.2Very high96.2Very high73 Ų7375.7 Ų75.760%0.60345%0.445SS*.  trans-118.6120.2177.300000109.6E32E32-A38 WeakPolarHBondContact OE1-CA 3.29Å
39L93.8Very high96.2Very high108 Ų10872.7 Ų72.757%0.56543%0.429SS*.SBendtrans-92.7-45.6174.1170.674.9000110.6A31 E32A31-L39 HydrophobicContact CB-CD2 3.95Å; E32-L39 PolarHBondContact OE1-N 2.96Å; E32-L39 WeakPolarHBondContact OE2-CA 3.49Å; E32-L39 VanDerWaalsContact OE2-CB 3.23Å; E32-L39 WeakPolarHBondContact OE2-CB 3.4Å; E32-L39 PolarHBondContact OE2-N 3.35Å
40I95.4Very high96.2Very high59 Ų5974 Ų7430%0.30344%0.438SS..SBendtrans-74-39.4175.1-70162.7000110.5E32 D42 I45 Y46 I49E32-I40 HydrophobicContact CB-CD1 4.14Å; E32-I40 HydrophobicContact CG-CD1 4.16Å; E32-I40 WeakPolarHBondContact OE2-CB 3.35Å; E32-I40 WeakPolarHBondContact OE2-CD1 3.31Å; E32-I40 WeakPolarHBondContact OE2-CG1 3.36Å; E32-I40 PolarHBondContact OE2-N 3.29Å; I40-D42 VanDerWaalsContact C-N 3.28Å; I40-D42 HydrophobicContact CG2-CB 4.29Å; I40-D42 PolarHBondContact O-N 2.84Å; I40-I45 HydrophobicContact CG2-CB 3.99Å; I40-I45 HydrophobicContact CG2-CG2 3.86Å; I40-Y46 HydrophobicContact CD1-CD2 4.32Å; I40-I49 HydrophobicContact CD1-CD1 4.1Å
41G95.2Very high96.2Very high62 Ų6265.6 Ų65.664%0.63941%0.407SS*.SBendtrans77.67.6-179.300000115.1
42D95.9Very high96.3Very high73 Ų7363.8 Ų63.839%0.3939%0.392SS..  trans-145.5111.9178.4-173-33.3000110.6I40 Q44 I45 Y46I40-D42 VanDerWaalsContact C-N 3.28Å; I40-D42 HydrophobicContact CG2-CB 4.29Å; I40-D42 PolarHBondContact O-N 2.84Å; D42-Q44 VanDerWaalsContact C-N 3.3Å; D42-Q44 PolarHBondContact O-N 3.09Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.29Å; D42-Q44 VanDerWaalsContact OD1-CB 3.32Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.41Å; D42-Q44 PolarHBondContact OD1-N 3.44Å; D42-I45 HydrophobicContact CB-CB 4.14Å; D42-I45 HydrophobicContact CB-CD1 3.89Å; D42-I45 HydrophobicContact CB-CG1 3.99Å; D42-I45 PolarHBondContact O-N 2.84Å; D42-I45 PolarHBondContact OD1-N 3.39Å; D42-Y46 PolarHBondContact O-N 3.3Å
43D95.9Very high96.4Very high128 Ų12864.7 Ų64.768%0.68440%0.396SS*.Hα-helixtrans-66.3-30.2-178.4-64.4-18.7000112.6Y46 N47D43-Y46 WeakPolarHBondContact O-CB 3.35Å; D43-Y46 PolarHBondContact O-N 3.27Å; D43-N47 VanDerWaalsContact O-CG 3.29Å; D43-N47 PolarHBondContact O-N 2.65Å; D43-N47 PolarHBondContact O-ND2 3.33Å
44Q97.6Very high96.4Very high49 Ų4960.7 Ų60.723%0.22938%0.378CS..Hα-helixtrans-70.3-42.9178176.463.29.400110.5D42 Y46 N47 V48 N112 H130D42-Q44 VanDerWaalsContact C-N 3.3Å; D42-Q44 PolarHBondContact O-N 3.09Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.29Å; D42-Q44 VanDerWaalsContact OD1-CB 3.32Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.41Å; D42-Q44 PolarHBondContact OD1-N 3.44Å; Q44-Y46 VanDerWaalsContact C-N 3.26Å; Q44-Y46 PolarHBondContact O-N 3.16Å; Q44-N47 PolarHBondContact O-N 3.29Å; Q44-N47 VanDerWaalsContact O-N 3.14Å; Q44-V48 VanDerWaalsContact O-CG2 3.3Å; Q44-V48 WeakPolarHBondContact O-CG2 3.28Å; Q44-V48 PolarHBondContact O-N 3.16Å; Q44-N112 HydrophobicContact CG-CB 4.24Å; Q44-N112 WeakPolarHBondContact CG-O 3.21Å; Q44-N112 PolarHBondContact NE2-O 3.22Å; Q44-H130 PolarHBondContact NE2-NE2 3.01Å; Q44-H130 VanDerWaalsContact NE2-NE2 3.12Å
45I97.9Very high96.5Very high82 Ų8258 Ų5842%0.42135%0.35SS..Hα-helixtrans-59.4-42.4174.5-66.7179.2000110.1I40 D42 N47 V48 I49I40-I45 HydrophobicContact CG2-CB 3.99Å; I40-I45 HydrophobicContact CG2-CG2 3.86Å; D42-I45 HydrophobicContact CB-CB 4.14Å; D42-I45 HydrophobicContact CB-CD1 3.89Å; D42-I45 HydrophobicContact CB-CG1 3.99Å; D42-I45 PolarHBondContact O-N 2.84Å; D42-I45 PolarHBondContact OD1-N 3.39Å; I45-N47 PolarHBondContact O-N 3.47Å; I45-V48 PolarHBondContact O-N 3.39Å; I45-I49 HydrophobicContact CG2-CD1 3.89Å; I45-I49 HydrophobicContact CG2-CG1 4.43Å; I45-I49 VanDerWaalsContact O-CG1 3.29Å; I45-I49 WeakPolarHBondContact O-CG1 3.26Å; I45-I49 PolarHBondContact O-N 3.01Å
46Y97.9Very high96.7Very high53 Ų5352.4 Ų52.421%0.20832%0.324CS..Hα-helixtrans-57.5-47.7174.1175.5-94.6000111.9I29 E32 L33 I40 D42 D43 Q44 V48 I49 V50I29-Y46 HydrophobicContact CB-CE2 4.47Å; I29-Y46 HydrophobicContact CG2-CE2 3.99Å; E32-Y46 HydrophobicContact CB-CD2 4.1Å; E32-Y46 HydrophobicContact CB-CE2 4.14Å; E32-Y46 HydrophobicContact CG-CD2 3.81Å; E32-Y46 HydrophobicContact CG-CE2 4.1Å; L33-Y46 WeakPolarHBondContact CD1-OH 3.35Å; L33-Y46 HydrophobicContact CG-CE2 4.37Å; I40-Y46 HydrophobicContact CD1-CD2 4.32Å; D42-Y46 PolarHBondContact O-N 3.3Å; D43-Y46 WeakPolarHBondContact O-CB 3.35Å; D43-Y46 PolarHBondContact O-N 3.27Å; Q44-Y46 VanDerWaalsContact C-N 3.26Å; Q44-Y46 PolarHBondContact O-N 3.16Å; Y46-V48 VanDerWaalsContact C-N 3.33Å; Y46-V48 PolarHBondContact O-N 2.89Å; Y46-I49 PolarHBondContact O-N 3.09Å; Y46-V50 HydrophobicContact CD1-CG2 4.14Å; Y46-V50 HydrophobicContact CE1-CG2 3.69Å; Y46-V50 HydrophobicContact CE2-CG2 4.15Å; Y46-V50 WeakPolarHBondContact O-CG2 3.16Å; Y46-V50 PolarHBondContact O-N 2.84Å
47N98.4Very high96.9Very high65 Ų6548.1 Ų48.135%0.34829%0.293SS..Hα-helixtrans-62.9-37.2178.1-69.7-32.1000113D43 Q44 I45 V50 T51D43-N47 VanDerWaalsContact O-CG 3.29Å; D43-N47 PolarHBondContact O-N 2.65Å; D43-N47 PolarHBondContact O-ND2 3.33Å; Q44-N47 PolarHBondContact O-N 3.29Å; Q44-N47 VanDerWaalsContact O-N 3.14Å; I45-N47 PolarHBondContact O-N 3.47Å; N47-V50 PolarHBondContact O-N 3.15Å; N47-T51 WeakPolarHBondContact O-CB 3.39Å; N47-T51 PolarHBondContact O-N 2.68Å; N47-T51 PolarHBondContact O-OG1 2.76Å
48V98.6Very high97.2Very high13 Ų1347.5 Ų47.58%0.07927%0.274CS..Hα-helixtrans-64.3-44.4175172.90000110.8Q44 I45 Y46 T51 A52 N112Q44-V48 VanDerWaalsContact O-CG2 3.3Å; Q44-V48 WeakPolarHBondContact O-CG2 3.28Å; Q44-V48 PolarHBondContact O-N 3.16Å; I45-V48 PolarHBondContact O-N 3.39Å; Y46-V48 VanDerWaalsContact C-N 3.33Å; Y46-V48 PolarHBondContact O-N 2.89Å; V48-T51 PolarHBondContact O-N 2.89Å; V48-A52 WeakPolarHBondContact O-CB 3.47Å; V48-A52 PolarHBondContact O-N 3.33Å; V48-N112 WeakPolarHBondContact CG2-O 3.24Å
49I98.5Very high97.6Very high24 Ų2444.7 Ų44.712%0.12325%0.248CC..Hα-helixtrans-61.6-46.3176.4-68.3168.8000110.6L25 L28 I29 I40 I45 Y46 T51 A52 H53L25-I49 HydrophobicContact CB-CG2 4.01Å; L25-I49 HydrophobicContact CD2-CG2 4.06Å; L28-I49 HydrophobicContact CB-CG2 4.43Å; L28-I49 HydrophobicContact CD1-CD1 4.39Å; I29-I49 HydrophobicContact CD1-CG2 4.08Å; I29-I49 HydrophobicContact CG1-CG2 3.66Å; I40-I49 HydrophobicContact CD1-CD1 4.1Å; I45-I49 HydrophobicContact CG2-CD1 3.89Å; I45-I49 HydrophobicContact CG2-CG1 4.43Å; I45-I49 VanDerWaalsContact O-CG1 3.29Å; I45-I49 WeakPolarHBondContact O-CG1 3.26Å; I45-I49 PolarHBondContact O-N 3.01Å; Y46-I49 PolarHBondContact O-N 3.09Å; I49-T51 VanDerWaalsContact C-N 3.35Å; I49-T51 PolarHBondContact O-N 3.43Å; I49-A52 PolarHBondContact O-N 2.93Å; I49-H53 VanDerWaalsContact O-CB 3.24Å; I49-H53 WeakPolarHBondContact O-CB 3.21Å; I49-H53 PolarHBondContact O-N 3.27Å
50V98.6Very high97.8Very high46 Ų4639.6 Ų39.628%0.27922%0.222SC..Hα-helixtrans-60.2-45.4177.6171.10000111.3I29 Y46 N47 A54I29-V50 HydrophobicContact CD1-CB 4.38Å; I29-V50 HydrophobicContact CD1-CG2 3.83Å; I29-V50 HydrophobicContact CG1-CG2 3.9Å; I29-V50 HydrophobicContact CG2-CG2 4.38Å; Y46-V50 HydrophobicContact CD1-CG2 4.14Å; Y46-V50 HydrophobicContact CE1-CG2 3.69Å; Y46-V50 HydrophobicContact CE2-CG2 4.15Å; Y46-V50 WeakPolarHBondContact O-CG2 3.16Å; Y46-V50 PolarHBondContact O-N 2.84Å; N47-V50 PolarHBondContact O-N 3.15Å; V50-A54 PolarHBondContact O-N 2.87Å; V50-A54 VanDerWaalsContact O-N 3.11Å
51T98.5Very high98Very high3 Ų338.7 Ų38.72%0.01822%0.217CC..Hα-helixtrans-64.2-48.9180-56.70000111.1N47 V48 I49 A54 F55 A114 G117N47-T51 WeakPolarHBondContact O-CB 3.39Å; N47-T51 PolarHBondContact O-N 2.68Å; N47-T51 PolarHBondContact O-OG1 2.76Å; V48-T51 PolarHBondContact O-N 2.89Å; I49-T51 VanDerWaalsContact C-N 3.35Å; I49-T51 PolarHBondContact O-N 3.43Å; T51-A54 PolarHBondContact O-N 3.17Å; T51-F55 HydrophobicContact CG2-CD2 3.78Å; T51-F55 HydrophobicContact CG2-CE2 3.45Å; T51-F55 VanDerWaalsContact CG2-CE2 3.45Å; T51-F55 HydrophobicContact CG2-CZ 4.46Å; T51-F55 VanDerWaalsContact O-CD2 3.3Å; T51-F55 WeakPolarHBondContact O-CD2 3.02Å; T51-F55 PolarHBondContact O-N 3.37Å; T51-F55 VanDerWaalsContact O-N 3.15Å; T51-A114 VanDerWaalsContact CB-O 3.27Å; T51-A114 WeakPolarHBondContact CB-O 3.09Å; T51-A114 VanDerWaalsContact CG2-O 3.32Å; T51-A114 WeakPolarHBondContact CG2-O 3.21Å; T51-A114 PolarHBondContact OG1-O 3.04Å; T51-G117 VanDerWaalsContact OG1-CA 3.26Å; T51-G117 WeakPolarHBondContact OG1-CA 3.35Å; T51-G117 PolarHBondContact OG1-N 3.26Å
52A98.6Very high98.1Very high7 Ų739 Ų396%0.05821%0.206CC..Hα-helixtrans-63.1-42.9178.200000112.1L25 V48 I49 A54 F55 I56L25-A52 HydrophobicContact CD1-CB 3.89Å; V48-A52 WeakPolarHBondContact O-CB 3.47Å; V48-A52 PolarHBondContact O-N 3.33Å; I49-A52 PolarHBondContact O-N 2.93Å; A52-A54 PolarHBondContact O-N 3.27Å; A52-F55 PolarHBondContact O-N 2.89Å; A52-I56 WeakPolarHBondContact O-CB 3.21Å; A52-I56 WeakPolarHBondContact O-CG1 3.16Å; A52-I56 PolarHBondContact O-N 3.35Å
53H98.8Very high98.2Very high41 Ų4136.5 Ų36.519%0.1919%0.192CC..Hα-helixtrans-54.8-53.5175.5169.168.9000111.3G22 L25 I29 I49 F55 I56 M57G22-H53 PolarHBondContact O-CE1 3.31Å; G22-H53 PolarHBondContact O-ND1 3.5Å; L25-H53 HydrophobicContact CB-CB 3.91Å; L25-H53 HydrophobicContact CD1-CB 4.34Å; I29-H53 HydrophobicContact CD1-CB 3.9Å; I49-H53 VanDerWaalsContact O-CB 3.24Å; I49-H53 WeakPolarHBondContact O-CB 3.21Å; I49-H53 PolarHBondContact O-N 3.27Å; H53-F55 PolarHBondContact O-N 2.86Å; H53-I56 PolarHBondContact O-N 3.19Å; H53-M57 WeakPolarHBondContact CE1-CG 3.46Å; H53-M57 VanDerWaalsContact O-CG 3.25Å; H53-M57 WeakPolarHBondContact O-CG 3.35Å; H53-M57 PolarHBondContact O-N 3.07Å
54A98.5Very high98.3Very high19 Ų1930.6 Ų30.616%0.15716%0.161CC..Hα-helixtrans-59.7-47-177.700000112.1V50 T51 A52 M57 I58 W118V50-A54 PolarHBondContact O-N 2.87Å; V50-A54 VanDerWaalsContact O-N 3.11Å; T51-A54 PolarHBondContact O-N 3.17Å; A52-A54 PolarHBondContact O-N 3.27Å; A54-M57 PolarHBondContact O-N 3.41Å; A54-I58 PolarHBondContact O-N 3.44Å; A54-I58 VanDerWaalsContact O-N 3.15Å; A54-W118 HydrophobicContact CB-CB 3.55Å; A54-W118 HydrophobicContact CB-CG 4.14Å
55F98.4Very high98.3Very high2 Ų230.1 Ų30.11%0.00916%0.16CC..Hα-helixtrans-63.3-43.4177.6-73.5-45000112.8T51 A52 H53 M57 F59 F60 L104 W118 V120 L142T51-F55 HydrophobicContact CG2-CD2 3.78Å; T51-F55 HydrophobicContact CG2-CE2 3.45Å; T51-F55 VanDerWaalsContact CG2-CE2 3.45Å; T51-F55 HydrophobicContact CG2-CZ 4.46Å; T51-F55 VanDerWaalsContact O-CD2 3.3Å; T51-F55 WeakPolarHBondContact O-CD2 3.02Å; T51-F55 PolarHBondContact O-N 3.37Å; T51-F55 VanDerWaalsContact O-N 3.15Å; A52-F55 PolarHBondContact O-N 2.89Å; H53-F55 PolarHBondContact O-N 2.86Å; F55-M57 PolarHBondContact O-N 3.47Å; F55-F59 AromaticContact CD1-CD2 3.8Å; F55-F59 HydrophobicContact CD1-CD2 3.8Å; F55-F59 AromaticContact CD1-CE2 3.76Å; F55-F59 HydrophobicContact CD1-CE2 3.76Å; F55-F59 HydrophobicContact CE1-CE2 4.16Å; F55-F59 PolarHBondContact O-N 3.38Å; F55-F60 WeakPolarHBondContact O-CD2 3.26Å; F55-L104 HydrophobicContact CB-CD1 4.16Å; F55-L104 HydrophobicContact CB-CD2 3.65Å; F55-L104 HydrophobicContact CD2-CD1 3.81Å; F55-L104 HydrophobicContact CG-CD1 4.34Å; F55-W118 HydrophobicContact CD1-CB 4.44Å; F55-W118 HydrophobicContact CE1-CB 4.14Å; F55-W118 WeakPolarHBondContact CE1-O 3.33Å; F55-W118 HydrophobicContact CZ-CB 4.33Å; F55-W118 WeakPolarHBondContact CZ-O 3.24Å; F55-V120 HydrophobicContact CE2-CG2 4.22Å; F55-V120 HydrophobicContact CZ-CG2 3.57Å; F55-L142 HydrophobicContact CD1-CD1 4.48Å; F55-L142 HydrophobicContact CD1-CD2 3.76Å; F55-L142 HydrophobicContact CE1-CD1 3.74Å; F55-L142 HydrophobicContact CE1-CD2 3.84Å; F55-L142 HydrophobicContact CE1-CG 4.34Å; F55-L142 HydrophobicContact CG-CD2 4.39Å; F55-L142 HydrophobicContact CZ-CD1 3.8Å
56I98.8Very high98.3Very high0 Ų030.8 Ų30.80%016%0.162CC..Iπ-helixtrans-61-47178.4-70.8170000110.8A18 V21 L25 A52 H53 I58 F60 M61 L101 L104 L105A18-I56 HydrophobicContact CB-CG2 4.3Å; A18-I56 WeakPolarHBondContact O-CG2 3.35Å; V21-I56 HydrophobicContact CG1-CD1 3.94Å; L25-I56 HydrophobicContact CD1-CD1 3.83Å; A52-I56 WeakPolarHBondContact O-CB 3.21Å; A52-I56 WeakPolarHBondContact O-CG1 3.16Å; A52-I56 PolarHBondContact O-N 3.35Å; H53-I56 PolarHBondContact O-N 3.19Å; I56-I58 PolarHBondContact O-N 3.41Å; I56-F60 CarbonylContact O-C 3.34Å; I56-F60 WeakPolarHBondContact O-CA 3.22Å; I56-F60 WeakPolarHBondContact O-CB 3.28Å; I56-F60 PolarHBondContact O-N 3.21Å; I56-F60 VanDerWaalsContact O-N 3.07Å; I56-M61 PolarHBondContact O-N 3.26Å; I56-L101 HydrophobicContact CD1-CD1 4.42Å; I56-L101 HydrophobicContact CG1-CD1 3.98Å; I56-L104 HydrophobicContact CD1-CD2 4.47Å; I56-L104 HydrophobicContact CG1-CD2 3.68Å; I56-L105 HydrophobicContact CD1-CD2 4.09Å
57M98.6Very high98.3Very high42 Ų4229.5 Ų29.521%0.20716%0.159CC..Iπ-helixtrans-65.9-41.6-176.2-65.8-56.4-7700112.3H53 A54 F55 M61 V62H53-M57 WeakPolarHBondContact CE1-CG 3.46Å; H53-M57 VanDerWaalsContact O-CG 3.25Å; H53-M57 WeakPolarHBondContact O-CG 3.35Å; H53-M57 PolarHBondContact O-N 3.07Å; A54-M57 PolarHBondContact O-N 3.41Å; F55-M57 PolarHBondContact O-N 3.47Å; M57-M61 HydrophobicContact CE-CE 3.36Å; M57-M61 HydrophobicContact CE-SD 3.57Å; M57-M61 VanDerWaalsContact CE-SD 3.57Å; M57-M61 WeakPolarHBondContact O-CB 3.4Å; M57-M61 HydrophobicContact SD-CE 4.2Å; M57-M61 HydrophobicContact SD-SD 3.94Å; M57-V62 WeakPolarHBondContact O-CG2 3.47Å; M57-V62 PolarHBondContact O-N 3.15Å
58I97.3Very high98.2Very high48 Ų4826.7 Ų26.725%0.24615%0.145CC..Iπ-helixtrans-78.5-63.6-178-62.1172000110.4A54 I56 M63 W118 E234A54-I58 PolarHBondContact O-N 3.44Å; A54-I58 VanDerWaalsContact O-N 3.15Å; I56-I58 PolarHBondContact O-N 3.41Å; I58-M63 WeakPolarHBondContact O-CB 3.34Å; I58-M63 WeakPolarHBondContact O-CG 3.42Å; I58-M63 PolarHBondContact O-N 2.95Å; I58-M63 VanDerWaalsContact O-N 3.07Å; I58-W118 HydrophobicContact CD1-CE3 4.2Å; I58-W118 HydrophobicContact CD1-CZ3 4.2Å; I58-E234 HydrophobicContact CG2-CG 4.46Å
59F97.9Very high98.2Very high15 Ų1526.1 Ų26.17%0.06614%0.141CC..Iπ-helixtrans-83.7-20.5-167.8-64-70.2000114.2F55 P64 L142 F230F55-F59 AromaticContact CD1-CD2 3.8Å; F55-F59 HydrophobicContact CD1-CD2 3.8Å; F55-F59 AromaticContact CD1-CE2 3.76Å; F55-F59 HydrophobicContact CD1-CE2 3.76Å; F55-F59 HydrophobicContact CE1-CE2 4.16Å; F55-F59 PolarHBondContact O-N 3.38Å; F59-P64 VanDerWaalsContact O-CD 3.25Å; F59-P64 WeakPolarHBondContact O-CD 3.49Å; F59-P64 WeakPolarHBondContact O-CG 3.27Å; F59-L142 HydrophobicContact CD2-CD2 3.78Å; F59-L142 HydrophobicContact CE2-CD2 3.87Å; F59-L142 HydrophobicContact CG-CD2 4.34Å; F59-L142 HydrophobicContact CZ-CD2 4.5Å; F59-F230 AromaticContact CE1-CZ 3.86Å; F59-F230 HydrophobicContact CE1-CZ 3.86Å; F59-F230 HydrophobicContact CZ-CE1 4.1Å; F59-F230 AromaticContact CZ-CZ 3.8Å; F59-F230 HydrophobicContact CZ-CZ 3.8Å
60F98.6Very high98.2Very high0 Ų028.8 Ų28.80%015%0.152CC..Iπ-helixtrans-116.1-14.6-174.7-60.3-78.6000114.2F14 G15 A18 F55 I56 P64 A100 L101 L104 S141 A145F14-F60 HydrophobicContact CE1-CB 4.27Å; F14-F60 AromaticContact CE1-CD1 3.99Å; F14-F60 HydrophobicContact CE1-CD1 3.99Å; F14-F60 AromaticContact CZ-CD1 3.81Å; F14-F60 HydrophobicContact CZ-CD1 3.81Å; G15-F60 WeakPolarHBondContact CA-O 3.17Å; A18-F60 HydrophobicContact CB-CB 3.92Å; A18-F60 WeakPolarHBondContact CB-O 3.37Å; F55-F60 WeakPolarHBondContact O-CD2 3.26Å; I56-F60 CarbonylContact O-C 3.34Å; I56-F60 WeakPolarHBondContact O-CA 3.22Å; I56-F60 WeakPolarHBondContact O-CB 3.28Å; I56-F60 PolarHBondContact O-N 3.21Å; I56-F60 VanDerWaalsContact O-N 3.07Å; F60-P64 WeakPolarHBondContact O-CG 3.49Å; F60-A100 HydrophobicContact CE1-CB 3.67Å; F60-A100 HydrophobicContact CZ-CB 3.88Å; F60-L101 HydrophobicContact CB-CD1 4.29Å; F60-L101 HydrophobicContact CD1-CB 3.75Å; F60-L101 HydrophobicContact CD1-CD1 4.19Å; F60-L101 HydrophobicContact CD1-CG 4.41Å; F60-L101 HydrophobicContact CD2-CD1 4.19Å; F60-L101 HydrophobicContact CE1-CB 3.77Å; F60-L101 HydrophobicContact CG-CB 4.38Å; F60-L101 HydrophobicContact CG-CD1 3.94Å; F60-L101 HydrophobicContact CZ-CB 4.44Å; F60-L104 HydrophobicContact CD2-CD2 4Å; F60-L104 HydrophobicContact CE2-CD2 3.71Å; F60-S141 WeakPolarHBondContact CZ-OG 3.11Å; F60-A145 HydrophobicContact CE1-CB 4.36Å; F60-A145 HydrophobicContact CZ-CB 4.12Å
61M98.5Very high98.2Very high40 Ų4026.6 Ų26.620%0.19714%0.139CC..Iπ-helixtrans-112.5-69.9173.5-174.8-163.876.600112.1G19 I56 M57 M63 I65G19-M61 VanDerWaalsContact CA-SD 3.55Å; I56-M61 PolarHBondContact O-N 3.26Å; M57-M61 HydrophobicContact CE-CE 3.36Å; M57-M61 HydrophobicContact CE-SD 3.57Å; M57-M61 VanDerWaalsContact CE-SD 3.57Å; M57-M61 WeakPolarHBondContact O-CB 3.4Å; M57-M61 HydrophobicContact SD-CE 4.2Å; M57-M61 HydrophobicContact SD-SD 3.94Å; M61-M63 PolarHBondContact O-N 2.89Å; M61-I65 HydrophobicContact CG-CD1 3.8Å; M61-I65 WeakPolarHBondContact O-CB 3.5Å; M61-I65 VanDerWaalsContact O-CG1 3.24Å; M61-I65 WeakPolarHBondContact O-CG1 3.48Å; M61-I65 PolarHBondContact O-N 3.02Å
62V98.3Very high98.2Very high69 Ų6926.5 Ų26.542%0.41814%0.138SC..Iπ-helixtrans-59.4-54.4-172.2171.90000111M57 I65 M66M57-V62 WeakPolarHBondContact O-CG2 3.47Å; M57-V62 PolarHBondContact O-N 3.15Å; V62-I65 PolarHBondContact O-N 3.49Å; V62-M66 HydrophobicContact CG1-CG 4.25Å; V62-M66 VanDerWaalsContact O-CB 3.31Å; V62-M66 WeakPolarHBondContact O-CB 3.44Å; V62-M66 WeakPolarHBondContact O-CG 3.38Å; V62-M66 PolarHBondContact O-N 2.91Å
63M97.1Very high98.2Very high21 Ų2130.4 Ų30.410%0.10315%0.151CC..Hα-helixtrans-62.5-48.8-177-74.5-69.1-83.700112.5I58 M61 I65 I67 G68 L187 E234I58-M63 WeakPolarHBondContact O-CB 3.34Å; I58-M63 WeakPolarHBondContact O-CG 3.42Å; I58-M63 PolarHBondContact O-N 2.95Å; I58-M63 VanDerWaalsContact O-N 3.07Å; M61-M63 PolarHBondContact O-N 2.89Å; M63-I65 PolarHBondContact O-N 2.71Å; M63-I67 WeakPolarHBondContact O-CB 3.33Å; M63-I67 PolarHBondContact O-N 3.23Å; M63-I67 HydrophobicContact SD-CG1 4.11Å; M63-G68 PolarHBondContact O-N 3.24Å; M63-G68 VanDerWaalsContact O-N 3.17Å; M63-L187 HydrophobicContact CE-CD1 3.65Å; M63-L187 HydrophobicContact CE-CD2 3.38Å; M63-L187 HydrophobicContact CE-CG 4.13Å; M63-E234 WeakPolarHBondContact CG-OE1 3.45Å
64P98.1Very high98.2Very high4 Ų430.7 Ų30.73%0.02615%0.154CC..Iπ-helixtrans-60-38.5173.7-33.242.4000114.6Y11 F14 F59 F60 G68 G69 L97Y11-P64 HydrophobicContact CD1-CB 4Å; F14-P64 HydrophobicContact CD1-CB 4.2Å; F14-P64 HydrophobicContact CD1-CG 4.37Å; F14-P64 HydrophobicContact CE1-CG 4.26Å; F59-P64 VanDerWaalsContact O-CD 3.25Å; F59-P64 WeakPolarHBondContact O-CD 3.49Å; F59-P64 WeakPolarHBondContact O-CG 3.27Å; F60-P64 WeakPolarHBondContact O-CG 3.49Å; P64-G68 CarbonylContact O-C 3.31Å; P64-G68 VanDerWaalsContact O-C 3.31Å; P64-G68 WeakPolarHBondContact O-CA 3.43Å; P64-G68 PolarHBondContact O-N 3.36Å; P64-G69 PolarHBondContact O-N 2.76Å; P64-L97 HydrophobicContact CB-CD1 4.11Å; P64-L97 HydrophobicContact CG-CD1 3.74Å
65I98.6Very high98.2Very high39 Ų3929.8 Ų29.820%0.215%0.147CC..Iπ-helixtrans-74.2-50.3-179.6-69.2174.2000111F12 M61 V62 M63 G69 F70F12-I65 HydrophobicContact CD1-CG2 4.13Å; F12-I65 HydrophobicContact CE1-CG2 4.07Å; M61-I65 HydrophobicContact CG-CD1 3.8Å; M61-I65 WeakPolarHBondContact O-CB 3.5Å; M61-I65 VanDerWaalsContact O-CG1 3.24Å; M61-I65 WeakPolarHBondContact O-CG1 3.48Å; M61-I65 PolarHBondContact O-N 3.02Å; V62-I65 PolarHBondContact O-N 3.49Å; M63-I65 PolarHBondContact O-N 2.71Å; I65-G69 WeakPolarHBondContact O-CA 3.27Å; I65-G69 PolarHBondContact O-N 3.46Å; I65-F70 HydrophobicContact CG2-CD2 4.23Å; I65-F70 HydrophobicContact CG2-CE2 4.02Å; I65-F70 WeakPolarHBondContact O-CD2 3.28Å; I65-F70 PolarHBondContact O-N 2.85Å
66M97.7Very high98.2Very high95 Ų9529.7 Ų29.747%0.46815%0.147SC..Iπ-helixtrans-76.3-50.2-170.6-64.5-55.5-70.200112.2V62 F70 G71V62-M66 HydrophobicContact CG1-CG 4.25Å; V62-M66 VanDerWaalsContact O-CB 3.31Å; V62-M66 WeakPolarHBondContact O-CB 3.44Å; V62-M66 WeakPolarHBondContact O-CG 3.38Å; V62-M66 PolarHBondContact O-N 2.91Å; M66-F70 HydrophobicContact SD-CD2 4Å; M66-F70 HydrophobicContact SD-CE2 4.2Å; M66-G71 PolarHBondContact O-N 2.72Å
67I97.1Very high98.2Very high27 Ų2733.7 Ų33.714%0.13817%0.167CC..Iπ-helixtrans-91.3-45.5-177.1-55.6-55.8000110.3M63 G71 F156 T183M63-I67 WeakPolarHBondContact O-CB 3.33Å; M63-I67 PolarHBondContact O-N 3.23Å; M63-I67 HydrophobicContact SD-CG1 4.11Å; I67-G71 VanDerWaalsContact O-CA 3.26Å; I67-G71 WeakPolarHBondContact O-CA 3.33Å; I67-G71 PolarHBondContact O-N 2.82Å; I67-F156 HydrophobicContact CG2-CD2 4.26Å; I67-F156 HydrophobicContact CG2-CE2 3.81Å; I67-F156 WeakPolarHBondContact O-CE2 3.44Å; I67-F156 VanDerWaalsContact O-CZ 3.27Å; I67-F156 WeakPolarHBondContact O-CZ 3.36Å; I67-T183 HydrophobicContact CD1-CG2 3.65Å; I67-T183 HydrophobicContact CG1-CG2 4.06Å
68G97.4Very high98.2Very high6 Ų634.9 Ų34.96%0.06217%0.173CC..Iπ-helixtrans-67.3-58.3177.700000113.2Y11 M63 P64 N72Y11-G68 WeakPolarHBondContact CD2-O 3.34Å; M63-G68 PolarHBondContact O-N 3.24Å; M63-G68 VanDerWaalsContact O-N 3.17Å; P64-G68 CarbonylContact O-C 3.31Å; P64-G68 VanDerWaalsContact O-C 3.31Å; P64-G68 WeakPolarHBondContact O-CA 3.43Å; P64-G68 PolarHBondContact O-N 3.36Å; G68-N72 WeakPolarHBondContact O-CB 3.45Å; G68-N72 PolarHBondContact O-N 2.99Å; G68-N72 PolarHBondContact O-ND2 3.13Å
69G98.4Very high98.2Very high0 Ų032.6 Ų32.60%016%0.162CC..Iπ-helixtrans-73.7-68.2-172.800000112.2P64 I65 G71 N72 W73P64-G69 PolarHBondContact O-N 2.76Å; I65-G69 WeakPolarHBondContact O-CA 3.27Å; I65-G69 PolarHBondContact O-N 3.46Å; G69-G71 PolarHBondContact O-N 3.44Å; G69-N72 PolarHBondContact O-N 2.76Å; G69-W73 VanDerWaalsContact O-CB 3.28Å; G69-W73 WeakPolarHBondContact O-CB 3.33Å; G69-W73 PolarHBondContact O-N 3.17Å
70F98.8Very high98.2Very high81 Ų8134.3 Ų34.336%0.35518%0.184SC..Iπ-helixtrans-63.6-41.4-178.6-74.2-65.4000112.1F12 I65 M66 W73 L74 F176F12-F70 HydrophobicContact CE1-CD1 4.1Å; F12-F70 AromaticContact CE1-CD2 3.75Å; F12-F70 HydrophobicContact CE1-CD2 3.75Å; F12-F70 HydrophobicContact CE1-CE1 4.14Å; F12-F70 AromaticContact CE1-CE2 3.8Å; F12-F70 HydrophobicContact CE1-CE2 3.8Å; F12-F70 AromaticContact CE1-CG 3.91Å; F12-F70 HydrophobicContact CE1-CG 3.91Å; F12-F70 AromaticContact CE1-CZ 3.99Å; F12-F70 HydrophobicContact CE1-CZ 3.99Å; F12-F70 HydrophobicContact CZ-CB 4.31Å; F12-F70 AromaticContact CZ-CD1 3.59Å; F12-F70 HydrophobicContact CZ-CD1 3.59Å; F12-F70 HydrophobicContact CZ-CD2 4.06Å; F12-F70 AromaticContact CZ-CE1 3.83Å; F12-F70 HydrophobicContact CZ-CE1 3.83Å; F12-F70 HydrophobicContact CZ-CE2 4.28Å; F12-F70 AromaticContact CZ-CG 3.71Å; F12-F70 HydrophobicContact CZ-CG 3.71Å; F12-F70 HydrophobicContact CZ-CZ 4.17Å; F12-F70 VanDerWaalsContact CZ-N 3.27Å; I65-F70 HydrophobicContact CG2-CD2 4.23Å; I65-F70 HydrophobicContact CG2-CE2 4.02Å; I65-F70 WeakPolarHBondContact O-CD2 3.28Å; I65-F70 PolarHBondContact O-N 2.85Å; M66-F70 HydrophobicContact SD-CD2 4Å; M66-F70 HydrophobicContact SD-CE2 4.2Å; F70-W73 PolarHBondContact O-N 2.99Å; F70-L74 HydrophobicContact CB-CD1 4.32Å; F70-L74 HydrophobicContact CD1-CD1 3.77Å; F70-L74 HydrophobicContact CG-CD1 4.49Å; F70-L74 VanDerWaalsContact O-CB 3.3Å; F70-L74 WeakPolarHBondContact O-CB 3.24Å; F70-L74 PolarHBondContact O-N 3.45Å; F70-F176 HydrophobicContact CB-CE2 4.32Å; F70-F176 HydrophobicContact CB-CZ 3.74Å
71G98.6Very high98.1Very high0 Ų034.7 Ų34.70%019%0.187CC..Iπ-helixtrans-56.5-54.6176.600000111.8M66 I67 G69 W73 V75 F156M66-G71 PolarHBondContact O-N 2.72Å; I67-G71 VanDerWaalsContact O-CA 3.26Å; I67-G71 WeakPolarHBondContact O-CA 3.33Å; I67-G71 PolarHBondContact O-N 2.82Å; G69-G71 PolarHBondContact O-N 3.44Å; G71-W73 VanDerWaalsContact C-N 3.34Å; G71-W73 PolarHBondContact O-N 3.29Å; G71-V75 WeakPolarHBondContact O-CB 3.14Å; G71-V75 VanDerWaalsContact O-CG2 3.29Å; G71-V75 WeakPolarHBondContact O-CG2 3.47Å; G71-V75 PolarHBondContact O-N 3.4Å; G71-F156 WeakPolarHBondContact O-CE1 3.24Å
72N98.6Very high98.1Very high1 Ų138.2 Ų38.21%0.00521%0.212CC..Hα-helixtrans-65.2-37.5179.9-80.2-69.1000113H4 G68 G69 P76 N90H4-N72 PolarHBondContact ND1-O 3.47Å; G68-N72 WeakPolarHBondContact O-CB 3.45Å; G68-N72 PolarHBondContact O-N 2.99Å; G68-N72 PolarHBondContact O-ND2 3.13Å; G69-N72 PolarHBondContact O-N 2.76Å; N72-P76 WeakPolarHBondContact O-CD 3.15Å; N72-N90 PolarHBondContact ND2-OD1 3.39Å; N72-N90 PolarHBondContact OD1-ND2 3.15Å; N72-N90 PolarHBondContact OD1-OD1 2.99Å
73W98.2Very high98Very high88 Ų8836.3 Ų36.333%0.33320%0.2SC..Hα-helixtrans-71.1-46.6-177.6-165.3-85.9000112.3K5 T9 F12 G69 F70 G71 L77K5-W73 HydrophobicContact CB-CD2 4.47Å; K5-W73 HydrophobicContact CB-CE3 3.83Å; K5-W73 HydrophobicContact CB-CH2 4.02Å; K5-W73 HydrophobicContact CB-CZ3 3.54Å; K5-W73 HydrophobicContact CG-CE3 4.35Å; K5-W73 HydrophobicContact CG-CZ3 4.36Å; K5-W73 VanDerWaalsContact O-CE3 3.23Å; K5-W73 WeakPolarHBondContact O-CZ3 3.25Å; T9-W73 WeakPolarHBondContact OG1-CZ3 3.44Å; F12-W73 HydrophobicContact CE2-CB 4.39Å; G69-W73 VanDerWaalsContact O-CB 3.28Å; G69-W73 WeakPolarHBondContact O-CB 3.33Å; G69-W73 PolarHBondContact O-N 3.17Å; F70-W73 PolarHBondContact O-N 2.99Å; G71-W73 VanDerWaalsContact C-N 3.34Å; G71-W73 PolarHBondContact O-N 3.29Å; W73-L77 VanDerWaalsContact O-CD1 3.26Å; W73-L77 WeakPolarHBondContact O-CD1 3.43Å; W73-L77 WeakPolarHBondContact O-CG 3.25Å
74L98.7Very high98.1Very high48 Ų4835.5 Ų35.525%0.25120%0.196SC..Hα-helixtrans-98.2-34.4-166.2-62.3173.1000113.8F70 L77 M78 F176F70-L74 HydrophobicContact CB-CD1 4.32Å; F70-L74 HydrophobicContact CD1-CD1 3.77Å; F70-L74 HydrophobicContact CG-CD1 4.49Å; F70-L74 VanDerWaalsContact O-CB 3.3Å; F70-L74 WeakPolarHBondContact O-CB 3.24Å; F70-L74 PolarHBondContact O-N 3.45Å; L74-L77 PolarHBondContact O-N 2.86Å; L74-M78 HydrophobicContact CB-CE 4.04Å; L74-M78 HydrophobicContact CB-SD 4.29Å; L74-M78 HydrophobicContact CD1-CE 4.19Å; L74-M78 HydrophobicContact CD2-CE 4.41Å; L74-M78 HydrophobicContact CG-CE 4.46Å; L74-M78 WeakPolarHBondContact O-CB 3.4Å; L74-M78 WeakPolarHBondContact O-CG 3.34Å; L74-M78 PolarHBondContact O-N 3.44Å; L74-F176 HydrophobicContact CB-CD1 4.23Å; L74-F176 HydrophobicContact CB-CE1 3.8Å; L74-F176 HydrophobicContact CD1-CE1 4.11Å; L74-F176 HydrophobicContact CD1-CZ 4.37Å
75V98.6Very high98.1Very high0 Ų036.7 Ų36.70%021%0.206CC..Hα-helixtrans-60-50.4-173.11710000112.1G71 L77 M78 L79 F156 V160 F176 V177 V180G71-V75 WeakPolarHBondContact O-CB 3.14Å; G71-V75 VanDerWaalsContact O-CG2 3.29Å; G71-V75 WeakPolarHBondContact O-CG2 3.47Å; G71-V75 PolarHBondContact O-N 3.4Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-L77 PolarHBondContact O-N 3.17Å; V75-M78 PolarHBondContact O-N 3.39Å; V75-L79 HydrophobicContact CG1-CD1 3.95Å; V75-L79 WeakPolarHBondContact O-CG 3.44Å; V75-L79 PolarHBondContact O-N 3.05Å; V75-L79 VanDerWaalsContact O-N 3.12Å; 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 4.3Å; V75-V160 HydrophobicContact CG1-CG2 3.78Å; V75-F176 HydrophobicContact CG2-CE1 4.07Å; V75-V177 HydrophobicContact CG1-CG1 4.33Å; V75-V180 HydrophobicContact CG2-CB 4.12Å; V75-V180 HydrophobicContact CG2-CG1 4.03Å; V75-V180 HydrophobicContact CG2-CG2 4.07Å
76P98.4Very high98.1Very high0 Ų038.8 Ų38.80%021%0.214CC..Hα-helixtrans-59.3-41.8176.7-27.538.3000112.6H4 N72 M78 L79 G80 A81 M84H4-P76 HydrophobicContact CB-CG 4.33Å; N72-P76 WeakPolarHBondContact O-CD 3.15Å; P76-M78 PolarHBondContact O-N 3.42Å; P76-L79 PolarHBondContact O-N 2.83Å; P76-G80 PolarHBondContact O-N 2.88Å; P76-A81 HydrophobicContact CB-CB 4.19Å; P76-A81 PolarHBondContact O-N 2.84Å; P76-M84 HydrophobicContact CG-CG 4.1Å; P76-M84 HydrophobicContact CG-SD 3.4Å; P76-M84 WeakPolarHBondContact CG-SD 3.25Å
77L98.4Very high98.1Very high83 Ų8336 Ų3644%0.43520%0.203SC..Hα-helixtrans-63.6-44.9-179.7-62.4-179.4000112.2W73 L74 V75 L79 G80W73-L77 VanDerWaalsContact O-CD1 3.26Å; W73-L77 WeakPolarHBondContact O-CD1 3.43Å; W73-L77 WeakPolarHBondContact O-CG 3.25Å; L74-L77 PolarHBondContact O-N 2.86Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-L77 PolarHBondContact O-N 3.17Å; L77-L79 PolarHBondContact O-N 3.46Å; L77-G80 PolarHBondContact O-N 3.46Å; L77-G80 VanDerWaalsContact O-N 3.17Å
78M98.3Very high98.2Very high68 Ų6844.4 Ų44.434%0.33523%0.233SC..Hα-helixtrans-68.3-23.7180-74.9-177.3179.100113.1L74 V75 P76 P174 F176 V177L74-M78 HydrophobicContact CB-CE 4.04Å; L74-M78 HydrophobicContact CB-SD 4.29Å; L74-M78 HydrophobicContact CD1-CE 4.19Å; L74-M78 HydrophobicContact CD2-CE 4.41Å; L74-M78 HydrophobicContact CG-CE 4.46Å; L74-M78 WeakPolarHBondContact O-CB 3.4Å; L74-M78 WeakPolarHBondContact O-CG 3.34Å; L74-M78 PolarHBondContact O-N 3.44Å; V75-M78 PolarHBondContact O-N 3.39Å; P76-M78 PolarHBondContact O-N 3.42Å; M78-P174 HydrophobicContact CB-CG 4.19Å; M78-P174 HydrophobicContact SD-CB 4.28Å; M78-F176 HydrophobicContact CE-CB 4.4Å; M78-F176 HydrophobicContact CE-CD1 4.12Å; M78-F176 HydrophobicContact CE-CG 4.49Å; M78-F176 HydrophobicContact SD-CB 4.09Å; M78-F176 HydrophobicContact SD-CD1 3.69Å; M78-F176 HydrophobicContact SD-CG 4.3Å; M78-V177 HydrophobicContact CB-CG2 3.69Å; M78-V177 HydrophobicContact SD-CG2 4.06Å
79L97.9Very high98.2Very high0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-90.1-11.7174.6-68.1-179.5000113.6V75 P76 L77 A81 V160 R164 S165 M173 V177V75-L79 HydrophobicContact CG1-CD1 3.95Å; V75-L79 WeakPolarHBondContact O-CG 3.44Å; V75-L79 PolarHBondContact O-N 3.05Å; V75-L79 VanDerWaalsContact O-N 3.12Å; P76-L79 PolarHBondContact O-N 2.83Å; L77-L79 PolarHBondContact O-N 3.46Å; L79-A81 HydrophobicContact CB-CB 4.39Å; L79-V160 HydrophobicContact CD1-CB 4.33Å; L79-V160 HydrophobicContact CD1-CG2 4.05Å; L79-R164 HydrophobicContact CD1-CG 4.33Å; L79-R164 HydrophobicContact CD2-CG 3.83Å; L79-S165 WeakPolarHBondContact O-CB 3.37Å; L79-S165 PolarHBondContact O-N 2.83Å; L79-S165 PolarHBondContact O-OG 3.15Å; L79-M173 HydrophobicContact CD2-CG 4.38Å; L79-M173 HydrophobicContact CD2-SD 4.3Å; L79-V177 HydrophobicContact CD1-CG1 4.29Å; L79-V177 HydrophobicContact CD2-CG1 3.95Å; L79-V177 HydrophobicContact CD2-CG2 4.42Å; L79-V177 HydrophobicContact CG-CG1 4.23Å; L79-V177 HydrophobicContact CG-CG2 4.46Å
80G97.3Very high98.2Very high51 Ų5146.9 Ų46.953%0.52624%0.243SC..THydrogen-bonded Turntrans69.423.1-168.500000113.2P76 L77P76-G80 PolarHBondContact O-N 2.88Å; L77-G80 PolarHBondContact O-N 3.46Å; L77-G80 VanDerWaalsContact O-N 3.17Å
81A97.8Very high98.2Very high8 Ų844.8 Ų44.87%0.06624%0.236CC..  trans-80.4143.5176.400000110.7P76 L79 M163P76-A81 HydrophobicContact CB-CB 4.19Å; P76-A81 PolarHBondContact O-N 2.84Å; L79-A81 HydrophobicContact CB-CB 4.39Å; A81-M163 HydrophobicContact CB-CB 3.93Å; A81-M163 WeakPolarHBondContact CB-O 3.42Å
82P96.9Very high98.2Very high113 Ų11349.7 Ų49.773%0.73426%0.26SS*.SBendtrans-70.5-30.2178.627.3-34.5000113.5M163P82-M163 HydrophobicContact CG-CE 4.27Å
83D97.8Very high98.2Very high30 Ų3049.8 Ų49.816%0.1626%0.261CS..SBendtrans-162.8-174.5178-150.9-26.2000109.1H4 M163H4-D83 VanDerWaalsContact CB-OD1 3.24Å; H4-D83 WeakPolarHBondContact CB-OD1 3.27Å; H4-D83 IonicContact CD2-OD1 3.35Å; H4-D83 PolarHBondContact CD2-OD1 3.25Å; H4-D83 IonicContact CG-OD1 3.61Å; H4-D83 PolarHBondContact N-OD1 2.92Å; D83-M163 VanDerWaalsContact O-CE 3.26Å; D83-M163 WeakPolarHBondContact O-CE 3.31Å
84M98.1Very high98.2Very high4 Ų446 Ų462%0.0225%0.247CC..  trans-72.3156.6169.1-60.9-66.7-72.900112H4 P76 F86 P87 N155 F156 T159H4-M84 HydrophobicContact CB-CG 3.79Å; P76-M84 HydrophobicContact CG-CG 4.1Å; P76-M84 HydrophobicContact CG-SD 3.4Å; P76-M84 WeakPolarHBondContact CG-SD 3.25Å; M84-F86 VanDerWaalsContact C-N 3.33Å; M84-F86 PolarHBondContact O-N 3.41Å; M84-P87 WeakPolarHBondContact O-CD 3.23Å; M84-P87 WeakPolarHBondContact O-CG 3.45Å; M84-N155 HydrophobicContact CE-CB 4.41Å; M84-N155 WeakPolarHBondContact CE-ND2 3.43Å; M84-F156 HydrophobicContact CE-CD1 3.46Å; M84-F156 VanDerWaalsContact CE-CD1 3.46Å; M84-F156 HydrophobicContact CE-CE1 3.49Å; M84-F156 VanDerWaalsContact CE-CE1 3.49Å; M84-F156 HydrophobicContact CE-CG 4.12Å; M84-F156 HydrophobicContact CE-CZ 4.21Å; M84-F156 HydrophobicContact SD-CD1 4.48Å; M84-F156 HydrophobicContact SD-CE1 4.25Å; M84-T159 HydrophobicContact SD-CG2 4.05Å
85A98.4Very high98.2Very high29 Ų2950.1 Ų50.124%0.2426%0.259CS..SBendtrans-62.5-37.1179.500000113.2P87 N155 T158 T159 M163A85-P87 WeakPolarHBondContact O-CD 3.39Å; A85-N155 PolarHBondContact N-OD1 2.96Å; A85-T158 HydrophobicContact CB-CG2 3.69Å; A85-T159 WeakPolarHBondContact CB-OG1 3.37Å; A85-T159 PolarHBondContact N-OG1 3.09Å; A85-M163 WeakPolarHBondContact CA-SD 3.41Å; A85-M163 HydrophobicContact CB-SD 3.71Å; A85-M163 PolarHBondContact N-SD 3.02Å
86F98.6Very high98.2Very high82 Ų8251.5 Ų51.536%0.3627%0.266SS..  trans-123.676.1179-52-55.6000111.8M84 R88 M89 N90 V154 N155 T158M84-F86 VanDerWaalsContact C-N 3.33Å; M84-F86 PolarHBondContact O-N 3.41Å; F86-R88 VanDerWaalsContact C-N 3.32Å; F86-R88 PolarHBondContact O-N 2.94Å; F86-M89 HydrophobicContact CB-CB 3.66Å; F86-M89 HydrophobicContact CB-CE 4.41Å; F86-M89 HydrophobicContact CB-SD 4.27Å; F86-M89 HydrophobicContact CD2-CE 4.15Å; F86-M89 HydrophobicContact CD2-SD 4.08Å; F86-M89 HydrophobicContact CG-CE 4.3Å; F86-M89 HydrophobicContact CG-SD 4.46Å; F86-M89 PolarHBondContact O-N 3.49Å; F86-M89 VanDerWaalsContact O-N 3.15Å; F86-N90 PolarHBondContact O-N 3.44Å; F86-V154 HydrophobicContact CE2-CG1 4.24Å; F86-N155 HydrophobicContact CD2-CB 4.28Å; F86-N155 PolarHBondContact N-OD1 3.4Å; F86-T158 HydrophobicContact CE2-CG2 3.71Å; F86-T158 WeakPolarHBondContact CE2-OG1 3.47Å; F86-T158 HydrophobicContact CZ-CG2 3.7Å
87P98.3Very high98.2Very high37 Ų3751.7 Ų51.724%0.2427%0.267CS..Hα-helixtrans-59.5-35.4-173.1-27.136.1000114.8T2 M84 A85 N90 N91T2-P87 WeakPolarHBondContact O-CB 3.05Å; M84-P87 WeakPolarHBondContact O-CD 3.23Å; M84-P87 WeakPolarHBondContact O-CG 3.45Å; A85-P87 WeakPolarHBondContact O-CD 3.39Å; P87-N90 WeakPolarHBondContact O-CB 3.43Å; P87-N91 PolarHBondContact O-N 3.43Å; P87-N91 VanDerWaalsContact O-N 3.13Å
88R98.4Very high98.2Very high203 Ų20349.5 Ų49.577%0.76626%0.258SS*.Hα-helixtrans-75.3-37.6177.9-66.7-177.6-176.2173.11.4112.7T2 F86 N90 N91 M92T2-R88 HydrophobicContact CG2-CG 3.98Å; F86-R88 VanDerWaalsContact C-N 3.32Å; F86-R88 PolarHBondContact O-N 2.94Å; R88-N90 VanDerWaalsContact C-N 3.25Å; R88-N90 PolarHBondContact O-N 3.32Å; R88-N91 PolarHBondContact O-N 3.35Å; R88-M92 PolarHBondContact O-N 3.3Å
89M98.1Very high98.3Very high58 Ų5848.9 Ų48.929%0.28626%0.259SS..Hα-helixtrans-63.5-38.1172.8-174.9-172.5-68.200110.1F86 M92 S93 L151 V154F86-M89 HydrophobicContact CB-CB 3.66Å; F86-M89 HydrophobicContact CB-CE 4.41Å; F86-M89 HydrophobicContact CB-SD 4.27Å; F86-M89 HydrophobicContact CD2-CE 4.15Å; F86-M89 HydrophobicContact CD2-SD 4.08Å; F86-M89 HydrophobicContact CG-CE 4.3Å; F86-M89 HydrophobicContact CG-SD 4.46Å; F86-M89 PolarHBondContact O-N 3.49Å; F86-M89 VanDerWaalsContact O-N 3.15Å; M89-M92 PolarHBondContact O-N 3.16Å; M89-S93 WeakPolarHBondContact O-CB 3.34Å; M89-S93 PolarHBondContact O-N 3.06Å; M89-L151 HydrophobicContact CG-CB 3.96Å; M89-L151 HydrophobicContact CG-CD2 3.91Å; M89-L151 HydrophobicContact CG-CG 4.33Å; M89-L151 HydrophobicContact SD-CB 4.35Å; M89-L151 HydrophobicContact SD-CD2 4.01Å; M89-V154 HydrophobicContact SD-CG1 4.48Å
90N98.4Very high98.3Very high0 Ų048.9 Ų48.90%026%0.259CS..Hα-helixtrans-59.6-45.9173.7-160.732.4000112.8I7 N72 F86 P87 R88 S93 F94 N155I7-N90 HydrophobicContact CD1-CB 4.08Å; N72-N90 PolarHBondContact ND2-OD1 3.39Å; N72-N90 PolarHBondContact OD1-ND2 3.15Å; N72-N90 PolarHBondContact OD1-OD1 2.99Å; F86-N90 PolarHBondContact O-N 3.44Å; P87-N90 WeakPolarHBondContact O-CB 3.43Å; R88-N90 VanDerWaalsContact C-N 3.25Å; R88-N90 PolarHBondContact O-N 3.32Å; N90-S93 WeakPolarHBondContact O-CB 3.48Å; N90-S93 PolarHBondContact O-N 2.97Å; N90-F94 PolarHBondContact O-N 2.71Å; N90-N155 WeakPolarHBondContact CB-ND2 3.42Å
91N98.6Very high98.4Very high38 Ų3846.8 Ų46.820%0.20324%0.236CC..Hα-helixtrans-62.9-43.6175.9-178.665.7000111S1 I7 P87 R88 S93 F94 W95S1-N91 WeakPolarHBondContact O-CB 3.41Å; S1-N91 PolarHBondContact O-OD1 2.85Å; S1-N91 VanDerWaalsContact O-OD1 3.06Å; I7-N91 HydrophobicContact CD1-CB 3.88Å; P87-N91 PolarHBondContact O-N 3.43Å; P87-N91 VanDerWaalsContact O-N 3.13Å; R88-N91 PolarHBondContact O-N 3.35Å; N91-S93 VanDerWaalsContact C-N 3.34Å; N91-S93 PolarHBondContact O-N 3.22Å; N91-F94 PolarHBondContact O-N 2.9Å; N91-W95 PolarHBondContact O-N 3.19Å; N91-W95 VanDerWaalsContact O-N 3.09Å; N91-W95 VanDerWaalsContact OD1-CD1 3.27Å; N91-W95 PolarHBondContact OD1-NE1 3.16Å; N91-W95 VanDerWaalsContact OD1-NE1 3.08Å
92M98.3Very high98.4Very high103 Ų10349.6 Ų49.651%0.50726%0.255SS..Hα-helixtrans-61.1-42.8176-178.6176.717700112R88 M89 F94 W95 L96 L151R88-M92 PolarHBondContact O-N 3.3Å; M89-M92 PolarHBondContact O-N 3.16Å; M92-F94 VanDerWaalsContact C-N 3.3Å; M92-F94 PolarHBondContact O-N 3.35Å; M92-W95 PolarHBondContact O-N 3.38Å; M92-W95 VanDerWaalsContact O-N 3.15Å; M92-L96 HydrophobicContact CE-CD1 4.42Å; M92-L96 HydrophobicContact CG-CD1 4.41Å; M92-L96 WeakPolarHBondContact O-CG 3.43Å; M92-L96 PolarHBondContact O-N 3.39Å; M92-L151 HydrophobicContact CE-CD1 4.37Å; M92-L151 HydrophobicContact CG-CD1 4.14Å; M92-L151 HydrophobicContact SD-CD1 4.14Å
93S98.3Very high98.5Very high2 Ų246.5 Ų46.51%0.01423%0.232CC..Hα-helixtrans-53-47.4175.8169.40000110.8Y11 M89 N90 N91 S148Y11-S93 VanDerWaalsContact OH-C 3.27Å; Y11-S93 PolarHBondContact OH-OG 2.61Å; M89-S93 WeakPolarHBondContact O-CB 3.34Å; M89-S93 PolarHBondContact O-N 3.06Å; N90-S93 WeakPolarHBondContact O-CB 3.48Å; N90-S93 PolarHBondContact O-N 2.97Å; N91-S93 VanDerWaalsContact C-N 3.34Å; N91-S93 PolarHBondContact O-N 3.22Å; S93-S148 WeakPolarHBondContact CB-O 3.23Å; S93-S148 VanDerWaalsContact O-CB 3.23Å; S93-S148 WeakPolarHBondContact O-CB 3.36Å; S93-S148 PolarHBondContact O-OG 2.88Å; S93-S148 PolarHBondContact OG-O 3.17Å; S93-S148 PolarHBondContact OG-OG 3.43Å
94F98.8Very high98.5Very high8 Ų845.1 Ų45.14%0.03523%0.225CC..Hα-helixtrans-62.9-49.2175.1172.1-100.2000112.7I7 L10 Y11 F14 N90 N91 M92 L96 L97 P98I7-F94 HydrophobicContact CG2-CB 4.14Å; L10-F94 VanDerWaalsContact C-CE2 3.42Å; L10-F94 HydrophobicContact CB-CD1 4.2Å; L10-F94 HydrophobicContact CB-CD2 4.07Å; L10-F94 HydrophobicContact CB-CE1 3.82Å; L10-F94 HydrophobicContact CB-CE2 3.68Å; L10-F94 HydrophobicContact CB-CG 4.32Å; L10-F94 HydrophobicContact CB-CZ 3.57Å; L10-F94 HydrophobicContact CD1-CD1 4.09Å; L10-F94 HydrophobicContact CD1-CE1 3.91Å; L10-F94 HydrophobicContact CD1-CZ 4.48Å; L10-F94 HydrophobicContact CD2-CZ 4.49Å; L10-F94 HydrophobicContact CG-CE1 4.31Å; L10-F94 HydrophobicContact CG-CZ 4.4Å; L10-F94 WeakPolarHBondContact O-CE2 3.46Å; Y11-F94 AromaticContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD1-CD2 3.92Å; Y11-F94 HydrophobicContact CD2-CB 4.36Å; Y11-F94 HydrophobicContact CD2-CD2 4.05Å; Y11-F94 HydrophobicContact CE1-CB 4.42Å; Y11-F94 HydrophobicContact CE1-CD2 4.06Å; Y11-F94 HydrophobicContact CE2-CB 3.73Å; Y11-F94 HydrophobicContact CE2-CD2 4.16Å; Y11-F94 HydrophobicContact CE2-CG 4.41Å; Y11-F94 AromaticContact CG-CD2 3.91Å; Y11-F94 HydrophobicContact CG-CD2 3.91Å; Y11-F94 WeakPolarHBondContact OH-CA 3.49Å; Y11-F94 PolarHBondContact OH-N 3.01Å; Y11-F94 VanDerWaalsContact OH-N 3.08Å; F14-F94 HydrophobicContact CB-CE2 3.88Å; F14-F94 HydrophobicContact CB-CZ 4.34Å; F14-F94 HydrophobicContact CG-CE2 4.35Å; N90-F94 PolarHBondContact O-N 2.71Å; N91-F94 PolarHBondContact O-N 2.9Å; M92-F94 VanDerWaalsContact C-N 3.3Å; M92-F94 PolarHBondContact O-N 3.35Å; F94-L96 PolarHBondContact O-N 3.17Å; F94-L96 VanDerWaalsContact O-N 3.09Å; F94-L97 WeakPolarHBondContact O-CB 3.44Å; F94-L97 PolarHBondContact O-N 2.91Å; F94-P98 HydrophobicContact CZ-CG 4.49Å; F94-P98 VanDerWaalsContact O-CD 3.27Å; F94-P98 WeakPolarHBondContact O-CD 3.42Å
95W98.6Very high98.6Very high135 Ų13547.1 Ų47.151%0.51124%0.235SC..Hα-helixtrans-69-10.1-171.9-78.1110.5000115N91 M92 P98 P99N91-W95 PolarHBondContact O-N 3.19Å; N91-W95 VanDerWaalsContact O-N 3.09Å; N91-W95 VanDerWaalsContact OD1-CD1 3.27Å; N91-W95 PolarHBondContact OD1-NE1 3.16Å; N91-W95 VanDerWaalsContact OD1-NE1 3.08Å; M92-W95 PolarHBondContact O-N 3.38Å; M92-W95 VanDerWaalsContact O-N 3.15Å; W95-P98 HydrophobicContact CE3-CG 4.39Å; W95-P99 WeakPolarHBondContact O-CD 3.37Å
96L98.8Very high98.6Very high29 Ų2948.4 Ų48.415%0.15224%0.24CC..THydrogen-bonded Turntrans-76.8-21.3169.7-69.9170.1000113M92 F94 P99 A100 L144 I147 L151M92-L96 HydrophobicContact CE-CD1 4.42Å; M92-L96 HydrophobicContact CG-CD1 4.41Å; M92-L96 WeakPolarHBondContact O-CG 3.43Å; M92-L96 PolarHBondContact O-N 3.39Å; F94-L96 PolarHBondContact O-N 3.17Å; F94-L96 VanDerWaalsContact O-N 3.09Å; L96-P99 WeakPolarHBondContact O-CD 3.33Å; L96-P99 WeakPolarHBondContact O-CG 3.26Å; L96-A100 VanDerWaalsContact O-CB 3.24Å; L96-A100 WeakPolarHBondContact O-CB 3.37Å; L96-A100 PolarHBondContact O-N 3.42Å; L96-L144 HydrophobicContact CD2-CD2 4.25Å; L96-I147 HydrophobicContact CD1-CB 4.08Å; L96-I147 HydrophobicContact CD1-CG2 3.53Å; L96-L151 HydrophobicContact CD1-CD1 4.07Å
97L98.8Very high98.6Very high4 Ų444.7 Ų44.72%0.02122%0.224CC..Hα-helixtrans-73-43.7-177.2-64.7-179.4000114.6Y11 F14 P64 F94 A100 L101 A145Y11-L97 HydrophobicContact CD1-CD1 3.92Å; Y11-L97 HydrophobicContact CE1-CD1 3.44Å; Y11-L97 VanDerWaalsContact CE1-CD1 3.44Å; F14-L97 HydrophobicContact CD1-CB 4.37Å; F14-L97 HydrophobicContact CD1-CD1 4.18Å; F14-L97 HydrophobicContact CE1-CB 3.77Å; F14-L97 HydrophobicContact CE1-CD1 4.01Å; F14-L97 HydrophobicContact CE1-CG 4.47Å; F14-L97 HydrophobicContact CE2-CB 4.36Å; F14-L97 HydrophobicContact CZ-CB 3.75Å; P64-L97 HydrophobicContact CB-CD1 4.11Å; P64-L97 HydrophobicContact CG-CD1 3.74Å; F94-L97 WeakPolarHBondContact O-CB 3.44Å; F94-L97 PolarHBondContact O-N 2.91Å; L97-A100 WeakPolarHBondContact O-CB 3.38Å; L97-A100 PolarHBondContact O-N 2.72Å; L97-L101 PolarHBondContact O-N 2.98Å; L97-A145 HydrophobicContact CD2-CB 4.35Å
98P98.8Very high98.4Very high37 Ų3744.9 Ų44.924%0.2423%0.226CC..Hα-helixtrans-58-46.1176.3-25.134.3000115.2F14 F94 W95 L101 S102F14-P98 HydrophobicContact CD2-CG 4.34Å; F14-P98 HydrophobicContact CE2-CB 4.5Å; F14-P98 HydrophobicContact CE2-CG 4.25Å; F94-P98 HydrophobicContact CZ-CG 4.49Å; F94-P98 VanDerWaalsContact O-CD 3.27Å; F94-P98 WeakPolarHBondContact O-CD 3.42Å; W95-P98 HydrophobicContact CE3-CG 4.39Å; P98-L101 PolarHBondContact O-N 3.49Å; P98-S102 WeakPolarHBondContact O-CB 3.27Å; P98-S102 PolarHBondContact O-N 3.01Å; P98-S102 PolarHBondContact O-OG 3.33Å
99P98.8Very high98.3Very high56 Ų5641.7 Ų41.736%0.36422%0.222SC..Hα-helixtrans-68.2-34.617425.4-31.7000111.9W95 L96 S102 L103 L144W95-P99 WeakPolarHBondContact O-CD 3.37Å; L96-P99 WeakPolarHBondContact O-CD 3.33Å; L96-P99 WeakPolarHBondContact O-CG 3.26Å; P99-S102 PolarHBondContact O-N 3.25Å; P99-L103 WeakPolarHBondContact O-CG 3.34Å; P99-L103 PolarHBondContact O-N 3.45Å; P99-L144 HydrophobicContact CB-CD1 4.24Å; P99-L144 HydrophobicContact CG-CD1 4.35Å
100A98.8Very high98.2Very high0 Ų041 Ų410%022%0.221CC..Hα-helixtrans-59.6-48.5173.900000111.9F60 L96 L97 S102 L103 L104 S141 L144 A145F60-A100 HydrophobicContact CE1-CB 3.67Å; F60-A100 HydrophobicContact CZ-CB 3.88Å; L96-A100 VanDerWaalsContact O-CB 3.24Å; L96-A100 WeakPolarHBondContact O-CB 3.37Å; L96-A100 PolarHBondContact O-N 3.42Å; L97-A100 WeakPolarHBondContact O-CB 3.38Å; L97-A100 PolarHBondContact O-N 2.72Å; A100-S102 VanDerWaalsContact C-N 3.34Å; A100-S102 PolarHBondContact O-N 2.84Å; A100-L103 PolarHBondContact O-N 2.99Å; A100-L104 PolarHBondContact O-N 3.16Å; A100-S141 VanDerWaalsContact O-CB 3.26Å; A100-S141 WeakPolarHBondContact O-CB 3.48Å; A100-S141 PolarHBondContact O-OG 2.81Å; A100-L144 HydrophobicContact CB-CB 3.63Å; A100-L144 HydrophobicContact CB-CD1 4.43Å; A100-A145 HydrophobicContact CB-CB 4.38Å
101L98.8Very high98Very high7 Ų747.7 Ų47.74%0.03725%0.252CS..Hα-helixtrans-65-40.1177.7-179.256.8000111.4F14 W17 A18 I56 F60 L97 P98 L103 L104 L105F14-L101 HydrophobicContact CE2-CB 4.27Å; F14-L101 HydrophobicContact CE2-CD2 3.76Å; F14-L101 HydrophobicContact CZ-CB 3.93Å; F14-L101 HydrophobicContact CZ-CD2 3.67Å; F14-L101 HydrophobicContact CZ-CG 4.45Å; W17-L101 HydrophobicContact CE3-CD2 4.09Å; W17-L101 HydrophobicContact CZ3-CD2 3.71Å; A18-L101 HydrophobicContact CB-CD2 3.97Å; I56-L101 HydrophobicContact CD1-CD1 4.42Å; I56-L101 HydrophobicContact CG1-CD1 3.98Å; F60-L101 HydrophobicContact CB-CD1 4.29Å; F60-L101 HydrophobicContact CD1-CB 3.75Å; F60-L101 HydrophobicContact CD1-CD1 4.19Å; F60-L101 HydrophobicContact CD1-CG 4.41Å; F60-L101 HydrophobicContact CD2-CD1 4.19Å; F60-L101 HydrophobicContact CE1-CB 3.77Å; F60-L101 HydrophobicContact CG-CB 4.38Å; F60-L101 HydrophobicContact CG-CD1 3.94Å; F60-L101 HydrophobicContact CZ-CB 4.44Å; L97-L101 PolarHBondContact O-N 2.98Å; P98-L101 PolarHBondContact O-N 3.49Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.34Å; L101-L104 HydrophobicContact CD1-CD2 4.45Å; L101-L104 WeakPolarHBondContact O-CB 3.41Å; L101-L104 PolarHBondContact O-N 3.11Å; L101-L105 HydrophobicContact CD1-CD1 4.47Å; L101-L105 HydrophobicContact CD1-CG 4.24Å; L101-L105 HydrophobicContact CG-CD1 4.25Å; L101-L105 HydrophobicContact CG-CG 4.46Å; L101-L105 WeakPolarHBondContact O-CG 3.46Å; L101-L105 PolarHBondContact O-N 3.15Å
102S98.6Very high97.8Very high67 Ų6752 Ų5247%0.46928%0.275SS..Hα-helixtrans-57.6-45.9174.2-59.60000111.7P98 P99 A100 L104 L105 V106P98-S102 WeakPolarHBondContact O-CB 3.27Å; P98-S102 PolarHBondContact O-N 3.01Å; P98-S102 PolarHBondContact O-OG 3.33Å; P99-S102 PolarHBondContact O-N 3.25Å; A100-S102 VanDerWaalsContact C-N 3.34Å; A100-S102 PolarHBondContact O-N 2.84Å; S102-L104 VanDerWaalsContact C-N 3.32Å; S102-L104 PolarHBondContact O-N 3.4Å; S102-L105 PolarHBondContact O-N 3.48Å; S102-V106 WeakPolarHBondContact O-CB 3.3Å; S102-V106 VanDerWaalsContact O-CG2 3.26Å; S102-V106 WeakPolarHBondContact O-CG2 3.47Å; S102-V106 PolarHBondContact O-N 2.95Å
103L98.8Very high97.8Very high47 Ų4747.1 Ų47.125%0.24625%0.251CS..Hα-helixtrans-60.7-40.8176.3-73170.9000111.9P99 A100 L101 V106 S107 L137 F140 L144P99-L103 WeakPolarHBondContact O-CG 3.34Å; P99-L103 PolarHBondContact O-N 3.45Å; A100-L103 PolarHBondContact O-N 2.99Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.34Å; L103-V106 PolarHBondContact O-N 2.91Å; L103-S107 WeakPolarHBondContact O-CB 3.46Å; L103-S107 PolarHBondContact O-N 3.34Å; L103-L137 HydrophobicContact CD2-CD2 3.85Å; L103-F140 HydrophobicContact CD1-CB 3.97Å; L103-L144 HydrophobicContact CD1-CD1 3.7Å
104L98.7Very high97.7Very high2 Ų247.2 Ų47.21%0.0125%0.252CS..Hα-helixtrans-63.7-45.8176-177.965.7000111.6F55 I56 F60 A100 L101 S102 S107 S108 S141F55-L104 HydrophobicContact CB-CD1 4.16Å; F55-L104 HydrophobicContact CB-CD2 3.65Å; F55-L104 HydrophobicContact CD2-CD1 3.81Å; F55-L104 HydrophobicContact CG-CD1 4.34Å; I56-L104 HydrophobicContact CD1-CD2 4.47Å; I56-L104 HydrophobicContact CG1-CD2 3.68Å; F60-L104 HydrophobicContact CD2-CD2 4Å; F60-L104 HydrophobicContact CE2-CD2 3.71Å; A100-L104 PolarHBondContact O-N 3.16Å; L101-L104 HydrophobicContact CD1-CD2 4.45Å; L101-L104 WeakPolarHBondContact O-CB 3.41Å; L101-L104 PolarHBondContact O-N 3.11Å; S102-L104 VanDerWaalsContact C-N 3.32Å; S102-L104 PolarHBondContact O-N 3.4Å; L104-S107 WeakPolarHBondContact O-CB 3.25Å; L104-S107 PolarHBondContact O-N 3.47Å; L104-S107 PolarHBondContact O-OG 3.43Å; L104-S108 PolarHBondContact O-N 3.43Å; L104-S141 WeakPolarHBondContact CB-OG 3.37Å
105L98.4Very high97.7Very high45 Ų4547 Ų4724%0.23625%0.252CS..Hα-helixtrans-64.4-43.2178.4-65.4176.3000110.9W17 V21 I56 L101 S102 S107 S108 M109W17-L105 HydrophobicContact CH2-CD1 4.49Å; V21-L105 HydrophobicContact CG1-CD2 4.41Å; I56-L105 HydrophobicContact CD1-CD2 4.09Å; L101-L105 HydrophobicContact CD1-CD1 4.47Å; L101-L105 HydrophobicContact CD1-CG 4.24Å; L101-L105 HydrophobicContact CG-CD1 4.25Å; L101-L105 HydrophobicContact CG-CG 4.46Å; L101-L105 WeakPolarHBondContact O-CG 3.46Å; L101-L105 PolarHBondContact O-N 3.15Å; S102-L105 PolarHBondContact O-N 3.48Å; L105-S107 VanDerWaalsContact C-N 3.28Å; L105-S107 PolarHBondContact O-N 3.15Å; L105-S108 WeakPolarHBondContact O-CB 3.36Å; L105-S108 PolarHBondContact O-N 3.42Å; L105-S108 VanDerWaalsContact O-N 3.08Å; L105-S108 PolarHBondContact O-OG 3.01Å; L105-M109 PolarHBondContact O-N 3.5Å
106V98.4Very high97.6Very high57 Ų5741.1 Ų41.135%0.34523%0.231SC..Hα-helixtrans-63.5-36.3174.9177.70000111.1S102 L103 S108 M109 V110 L137S102-V106 WeakPolarHBondContact O-CB 3.3Å; S102-V106 VanDerWaalsContact O-CG2 3.26Å; S102-V106 WeakPolarHBondContact O-CG2 3.47Å; S102-V106 PolarHBondContact O-N 2.95Å; L103-V106 PolarHBondContact O-N 2.91Å; V106-S108 PolarHBondContact O-N 3.09Å; V106-S108 VanDerWaalsContact O-N 3.13Å; V106-M109 HydrophobicContact CB-CE 4.49Å; V106-M109 HydrophobicContact CG2-CE 4.08Å; V106-M109 PolarHBondContact O-N 3.34Å; V106-V110 HydrophobicContact CG1-CG2 3.61Å; V106-V110 WeakPolarHBondContact O-CG2 3.49Å; V106-V110 PolarHBondContact O-N 3.07Å; V106-L137 HydrophobicContact CG1-CD1 3.82Å
107S98.4Very high97.5Very high3 Ų340.8 Ų40.82%0.02124%0.235CC..Hα-helixtrans-57.8-26.9174.585.90000113.2L103 L104 L105 G113 A114 S134L103-S107 WeakPolarHBondContact O-CB 3.46Å; L103-S107 PolarHBondContact O-N 3.34Å; L104-S107 WeakPolarHBondContact O-CB 3.25Å; L104-S107 PolarHBondContact O-N 3.47Å; L104-S107 PolarHBondContact O-OG 3.43Å; L105-S107 VanDerWaalsContact C-N 3.28Å; L105-S107 PolarHBondContact O-N 3.15Å; S107-G113 VanDerWaalsContact O-CA 3.26Å; S107-G113 WeakPolarHBondContact O-CA 3.41Å; S107-A114 PolarHBondContact O-N 2.85Å; S107-S134 VanDerWaalsContact CB-O 3.29Å; S107-S134 WeakPolarHBondContact CB-O 3.47Å; S107-S134 VanDerWaalsContact O-CB 3.29Å; S107-S134 WeakPolarHBondContact O-CB 3.5Å
108S95.9Very high97.4Very high41 Ų4143.7 Ų43.729%0.28725%0.246SC..Hα-helixtrans-84-15.6176.972.60000114L104 L105 V106L104-S108 PolarHBondContact O-N 3.43Å; L105-S108 WeakPolarHBondContact O-CB 3.36Å; L105-S108 PolarHBondContact O-N 3.42Å; L105-S108 VanDerWaalsContact O-N 3.08Å; L105-S108 PolarHBondContact O-OG 3.01Å; V106-S108 PolarHBondContact O-N 3.09Å; V106-S108 VanDerWaalsContact O-N 3.13Å
109M95.8Very high97.3Very high137 Ų13742.9 Ų42.968%0.67524%0.24SC*.Hα-helixtrans-108.2-14.3-175.3-62.7-176-68.600113.7L105 V106L105-M109 PolarHBondContact O-N 3.5Å; V106-M109 HydrophobicContact CB-CE 4.49Å; V106-M109 HydrophobicContact CG2-CE 4.08Å; V106-M109 PolarHBondContact O-N 3.34Å
110V95.6Very high97.3Very high44 Ų4440.4 Ų40.427%0.26722%0.224SC..SBendtrans-96.1136.3-179.2169.20000109.6V106 N112 G113 S134 L137V106-V110 HydrophobicContact CG1-CG2 3.61Å; V106-V110 WeakPolarHBondContact O-CG2 3.49Å; V106-V110 PolarHBondContact O-N 3.07Å; V110-N112 PolarHBondContact O-N 3.45Å; V110-G113 PolarHBondContact O-N 2.6Å; V110-S134 WeakPolarHBondContact O-CB 3.43Å; V110-L137 HydrophobicContact CB-CD1 4.29Å; V110-L137 HydrophobicContact CG1-CD1 4.46Å; V110-L137 HydrophobicContact CG2-CD1 4.25Å
111E94.8Very high97.3Very high139 Ų13943.1 Ų43.165%0.6523%0.234SC*.THydrogen-bonded Turntrans52.1-134.5-175.7-54.1-59154.700111.1G113E111-G113 VanDerWaalsContact C-N 3.28Å; E111-G113 PolarHBondContact O-N 2.68Å
112N94Very high97.2Very high129 Ų12943.2 Ų43.269%0.6924%0.236SC*.THydrogen-bonded Turntrans-90.115.7176.8-65.6-33.4000113.4Q44 V48 V110Q44-N112 HydrophobicContact CG-CB 4.24Å; Q44-N112 WeakPolarHBondContact CG-O 3.21Å; Q44-N112 PolarHBondContact NE2-O 3.22Å; V48-N112 WeakPolarHBondContact CG2-O 3.24Å; V110-N112 PolarHBondContact O-N 3.45Å
113G97.2Very high97.1Very high0 Ų043.9 Ų43.90%024%0.238CC..  trans68.6171.3-176.400000114.5S107 V110 E111 G115 S134S107-G113 VanDerWaalsContact O-CA 3.26Å; S107-G113 WeakPolarHBondContact O-CA 3.41Å; V110-G113 PolarHBondContact O-N 2.6Å; E111-G113 VanDerWaalsContact C-N 3.28Å; E111-G113 PolarHBondContact O-N 2.68Å; G113-G115 PolarHBondContact O-N 3.49Å; G113-S134 VanDerWaalsContact C-OG 3.26Å; G113-S134 WeakPolarHBondContact O-CB 3.41Å; G113-S134 PolarHBondContact O-OG 3.15Å
114A97.6Very high97Very high4 Ų445.8 Ų45.83%0.03325%0.248CC..  trans-87.882.7174.800000110.7T51 S107 T116 V135 A138T51-A114 VanDerWaalsContact CB-O 3.27Å; T51-A114 WeakPolarHBondContact CB-O 3.09Å; T51-A114 VanDerWaalsContact CG2-O 3.32Å; T51-A114 WeakPolarHBondContact CG2-O 3.21Å; T51-A114 PolarHBondContact OG1-O 3.04Å; S107-A114 PolarHBondContact O-N 2.85Å; A114-T116 VanDerWaalsContact C-N 3.34Å; A114-T116 PolarHBondContact O-N 2.83Å; A114-V135 HydrophobicContact CB-CG2 4.43Å; A114-A138 HydrophobicContact CB-CB 4.02Å
115G97.3Very high97Very high4 Ų445.7 Ų45.74%0.04125%0.248CC..  trans-9339.4-177.600000114.3G113 H130G113-G115 PolarHBondContact O-N 3.49Å; G115-H130 PolarHBondContact N-NE2 2.92Å
116T97.2Very high96.9Very high11 Ų1144.3 Ų44.37%0.06724%0.243CC..SBendtrans-100-1.6-168.861.80000114.1A114 L124 V135A114-T116 VanDerWaalsContact C-N 3.34Å; A114-T116 PolarHBondContact O-N 2.83Å; T116-L124 HydrophobicContact CG2-CG 4.48Å; T116-V135 HydrophobicContact CG2-CG2 3.94Å
117G97.1Very high96.7Very high23 Ų2343.2 Ų43.224%0.23724%0.243CC..THydrogen-bonded Turntrans77.7163.5-164.200000111.7T51 T119 V120T51-G117 VanDerWaalsContact OG1-CA 3.26Å; T51-G117 WeakPolarHBondContact OG1-CA 3.35Å; T51-G117 PolarHBondContact OG1-N 3.26Å; G117-T119 PolarHBondContact O-N 3.15Å; G117-T119 VanDerWaalsContact O-N 3.17Å; G117-V120 PolarHBondContact O-N 3.11Å; G117-V120 VanDerWaalsContact O-N 3.13Å
118W96.9Very high96.4Very high65 Ų6550 Ų5025%0.24628%0.278CS..THydrogen-bonded Turntrans-66.3-17.4-178.583.7-78.2000113.7A54 F55 I58 F227 W228A54-W118 HydrophobicContact CB-CB 3.55Å; A54-W118 HydrophobicContact CB-CG 4.14Å; F55-W118 HydrophobicContact CD1-CB 4.44Å; F55-W118 HydrophobicContact CE1-CB 4.14Å; F55-W118 WeakPolarHBondContact CE1-O 3.33Å; F55-W118 HydrophobicContact CZ-CB 4.33Å; F55-W118 WeakPolarHBondContact CZ-O 3.24Å; I58-W118 HydrophobicContact CD1-CE3 4.2Å; I58-W118 HydrophobicContact CD1-CZ3 4.2Å; W118-F227 HydrophobicContact CD2-CZ 4.24Å; W118-F227 AromaticContact CE3-CZ 3.77Å; W118-F227 HydrophobicContact CE3-CZ 3.77Å; W118-F227 AromaticContact CH2-CE1 3.82Å; W118-F227 HydrophobicContact CH2-CE1 3.82Å; W118-F227 AromaticContact CH2-CZ 3.76Å; W118-F227 HydrophobicContact CH2-CZ 3.76Å; W118-F227 HydrophobicContact CZ2-CE1 4.09Å; W118-F227 HydrophobicContact CZ2-CZ 4.21Å; W118-F227 HydrophobicContact CZ3-CE1 4.09Å; W118-F227 AromaticContact CZ3-CZ 3.53Å; W118-F227 HydrophobicContact CZ3-CZ 3.53Å; W118-W228 HydrophobicContact CH2-CH2 4.43Å; W118-W228 HydrophobicContact CH2-CZ3 4.34Å; W118-W228 AromaticContact CZ2-CH2 3.82Å; W118-W228 HydrophobicContact CZ2-CH2 3.82Å; W118-W228 HydrophobicContact CZ2-CZ3 4.17Å
119T97.3Very high96.3Very high19 Ų1950.8 Ų50.812%0.11729%0.286CS..THydrogen-bonded Turntrans-84.3-15.7176.863.30000113.3G117 Y121 Y223 F227 W228G117-T119 PolarHBondContact O-N 3.15Å; G117-T119 VanDerWaalsContact O-N 3.17Å; T119-Y121 VanDerWaalsContact C-N 3.3Å; T119-Y121 HydrophobicContact CG2-CE1 4.4Å; T119-Y121 HydrophobicContact CG2-CE2 4.41Å; T119-Y121 PolarHBondContact O-N 3.21Å; T119-Y121 WeakPolarHBondContact OG1-CD2 3.34Å; T119-Y223 WeakPolarHBondContact O-CE1 3.07Å; T119-Y223 PolarHBondContact O-OH 3.42Å; T119-F227 HydrophobicContact CG2-CD1 4.37Å; T119-F227 HydrophobicContact CG2-CE1 3.7Å; T119-F227 HydrophobicContact CG2-CZ 3.94Å; T119-W228 HydrophobicContact CG2-CZ2 4.34Å
120V97.8Very high96.4Very high4 Ų445 Ų452%0.02426%0.258CS..THydrogen-bonded Turntrans54.441.4173.5-158.30000113.5F55 G117 S125 V135 L201F55-V120 HydrophobicContact CE2-CG2 4.22Å; F55-V120 HydrophobicContact CZ-CG2 3.57Å; G117-V120 PolarHBondContact O-N 3.11Å; G117-V120 VanDerWaalsContact O-N 3.13Å; V120-S125 VanDerWaalsContact O-CB 3.29Å; V120-S125 WeakPolarHBondContact O-CB 3.36Å; V120-S125 PolarHBondContact O-OG 3.43Å; V120-V135 HydrophobicContact CG1-CG1 4.08Å; V120-L201 HydrophobicContact CG1-CD2 3.81Å
121Y98.2Very high96.2Very high57 Ų5746 Ų4622%0.22428%0.277CS..  trans-68.6130-173.9-71.3-25.7000114.2T119 L124 S125 Y223 Q224 W228T119-Y121 VanDerWaalsContact C-N 3.3Å; T119-Y121 HydrophobicContact CG2-CE1 4.4Å; T119-Y121 HydrophobicContact CG2-CE2 4.41Å; T119-Y121 PolarHBondContact O-N 3.21Å; T119-Y121 WeakPolarHBondContact OG1-CD2 3.34Å; Y121-L124 WeakPolarHBondContact O-CB 3.33Å; Y121-L124 PolarHBondContact O-N 2.76Å; Y121-S125 PolarHBondContact O-N 2.94Å; Y121-S125 PolarHBondContact O-OG 3.29Å; Y121-Y223 AromaticContact CD1-CD1 3.5Å; Y121-Y223 HydrophobicContact CD1-CD1 3.5Å; Y121-Y223 VanDerWaalsContact CD1-CD1 3.5Å; Y121-Y223 AromaticContact CD1-CE1 3.64Å; Y121-Y223 HydrophobicContact CD1-CE1 3.64Å; Y121-Y223 AromaticContact CE1-CD1 3.93Å; Y121-Y223 HydrophobicContact CE1-CD1 3.93Å; Y121-Y223 HydrophobicContact CE1-CE1 4.06Å; Y121-Q224 HydrophobicContact CD1-CG 4.19Å; Y121-Q224 HydrophobicContact CE1-CB 4.33Å; Y121-Q224 HydrophobicContact CE1-CG 3.76Å; Y121-Q224 HydrophobicContact CE2-CG 4.36Å; Y121-W228 PolarHBondContact OH-NE1 3Å
122P97.1Very high96.2Very high10 Ų1040.3 Ų40.37%0.06526%0.256CS..THydrogen-bonded Turntrans-70.6153.916229.5-31.6000110.2L124 S125 L201 F212 Y223P122-L124 VanDerWaalsContact C-N 3.34Å; P122-S125 VanDerWaalsContact N-OG 3.12Å; P122-L201 HydrophobicContact CB-CD1 4.12Å; P122-L201 HydrophobicContact CG-CD1 4.45Å; P122-F212 HydrophobicContact CB-CB 3.93Å; P122-F212 HydrophobicContact CG-CB 3.57Å; P122-F212 HydrophobicContact CG-CD2 4.1Å; P122-F212 HydrophobicContact CG-CG 3.85Å; P122-Y223 VanDerWaalsContact CD-CG 3.43Å; P122-Y223 HydrophobicContact CG-CD2 4.02Å; P122-Y223 HydrophobicContact CG-CG 3.89Å
123P96.7Very high96.4Very high80 Ų8036.3 Ų36.352%0.51924%0.241SC..THydrogen-bonded Turncis-81.1-3.71.833.6-36.1000114S125 A126P123-S125 VanDerWaalsContact C-N 3.31Å; P123-S125 PolarHBondContact O-N 3.07Å; P123-A126 VanDerWaalsContact O-CB 3.32Å; P123-A126 WeakPolarHBondContact O-CB 3.35Å; P123-A126 PolarHBondContact O-N 2.91Å
124L97.6Very high96.4Very high87 Ų8736.4 Ų36.446%0.45524%0.241SC..THydrogen-bonded Turntrans-61.7-39.1-178.9-179.563.6000112T116 Y121 P122 A126 A129 H130T116-L124 HydrophobicContact CG2-CG 4.48Å; Y121-L124 WeakPolarHBondContact O-CB 3.33Å; Y121-L124 PolarHBondContact O-N 2.76Å; 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 3.34Å; L124-H130 PolarHBondContact O-ND1 2.96Å
125S97.3Very high96.5Very high0 Ų036.2 Ų36.20%024%0.24CC..THydrogen-bonded Turntrans-82.2-2.8175.263.50000114.4V120 Y121 P122 P123 L201 R205V120-S125 VanDerWaalsContact O-CB 3.29Å; V120-S125 WeakPolarHBondContact O-CB 3.36Å; V120-S125 PolarHBondContact O-OG 3.43Å; Y121-S125 PolarHBondContact O-N 2.94Å; Y121-S125 PolarHBondContact O-OG 3.29Å; P122-S125 VanDerWaalsContact N-OG 3.12Å; P123-S125 VanDerWaalsContact C-N 3.31Å; P123-S125 PolarHBondContact O-N 3.07Å; S125-L201 WeakPolarHBondContact OG-CD2 3.42Å; S125-R205 WeakPolarHBondContact O-CD 3.5Å; S125-R205 PolarHBondContact O-NH1 3.08Å
126A96.3Very high96.5Very high17 Ų1736.8 Ų36.814%0.1424%0.242CC..SBendtrans-80.4166.7177.500000111.7P123 L124 I128 A129 H130P123-A126 VanDerWaalsContact O-CB 3.32Å; P123-A126 WeakPolarHBondContact O-CB 3.35Å; P123-A126 PolarHBondContact O-N 2.91Å; L124-A126 VanDerWaalsContact C-N 3.31Å; A126-I128 PolarHBondContact O-N 3.29Å; A126-I128 VanDerWaalsContact O-N 3.11Å; A126-A129 PolarHBondContact O-N 3.21Å; A126-A129 VanDerWaalsContact O-N 3.14Å; A126-H130 PolarHBondContact O-N 3.13Å
127G93.9Very high96.6Very high34 Ų3438 Ų3835%0.35125%0.248SC..THydrogen-bonded Turntrans-60.5-22.3-178.300000114.5A129 G131G127-A129 VanDerWaalsContact C-N 3.33Å; G127-A129 PolarHBondContact O-N 3.29Å; G127-G131 VanDerWaalsContact O-CA 3.24Å; G127-G131 WeakPolarHBondContact O-CA 3.34Å; G127-G131 PolarHBondContact O-N 3.35Å
128I92.9Very high96.7Very high145 Ų14537 Ų3774%0.74424%0.238SC*.THydrogen-bonded Turntrans-65.2-36.5177.6-60.6172.7000111.6A126A126-I128 PolarHBondContact O-N 3.29Å; A126-I128 VanDerWaalsContact O-N 3.11Å
129A94.8Very high96.8Very high57 Ų5734 Ų3447%0.47123%0.227SC..THydrogen-bonded Turntrans-106.7-32.7-178.300000113.1L124 A126 G127L124-A129 HydrophobicContact CD1-CB 4.18Å; L124-A129 WeakPolarHBondContact O-CB 3.34Å; A126-A129 PolarHBondContact O-N 3.21Å; A126-A129 VanDerWaalsContact O-N 3.14Å; G127-A129 VanDerWaalsContact C-N 3.33Å; G127-A129 PolarHBondContact O-N 3.29Å
130H96.4Very high96.8Very high16 Ų1637.8 Ų37.87%0.07424%0.241CC..  trans-126.577.9174.7-77.379.9000110.1Q44 G115 L124 A126 G132 V135 R205Q44-H130 PolarHBondContact NE2-NE2 3.01Å; Q44-H130 VanDerWaalsContact NE2-NE2 3.12Å; G115-H130 PolarHBondContact N-NE2 2.92Å; L124-H130 PolarHBondContact O-ND1 2.96Å; A126-H130 PolarHBondContact O-N 3.13Å; H130-G132 VanDerWaalsContact C-N 3.28Å; H130-G132 PolarHBondContact O-N 3.33Å; H130-V135 HydrophobicContact CB-CG2 3.7Å; H130-R205 PolarHBondContact O-NH1 3.12Å; H130-R205 PolarHBondContact O-NH2 2.92Å
131G92.1Very high96.9Very high65 Ų6537.6 Ų37.667%0.6724%0.24SC*.  trans-71.6-16.3-17600000115.7G127G127-G131 VanDerWaalsContact O-CA 3.24Å; G127-G131 WeakPolarHBondContact O-CA 3.34Å; G127-G131 PolarHBondContact O-N 3.35Å
132G95.1Very high96.9Very high20 Ų2035.3 Ų35.321%0.20623%0.232CC..SBendtrans-78.2169-179.900000114.3H130 S134 R205H130-G132 VanDerWaalsContact C-N 3.28Å; H130-G132 PolarHBondContact O-N 3.33Å; G132-S134 PolarHBondContact O-N 3.2Å; G132-R205 PolarHBondContact O-NH2 3.45Å
133A97.4Very high97Very high45 Ų4536.6 Ų36.637%0.37224%0.237SC..THydrogen-bonded Turntrans-73.4-2.7-179.200000114.6V135 D136 L137A133-V135 PolarHBondContact O-N 3.46Å; A133-D136 WeakPolarHBondContact CA-OD2 3.45Å; A133-D136 PolarHBondContact O-N 3Å; A133-L137 WeakPolarHBondContact O-CG 3.33Å; A133-L137 PolarHBondContact O-N 3.15Å
134S98.2Very high97.1Very high2 Ų234.9 Ų34.91%0.01422%0.223CC..Hα-helixtrans-58.4-48.9-176.257.50000112.1S107 V110 G113 G132 D136 L137 A138S107-S134 VanDerWaalsContact CB-O 3.29Å; S107-S134 WeakPolarHBondContact CB-O 3.47Å; S107-S134 VanDerWaalsContact O-CB 3.29Å; S107-S134 WeakPolarHBondContact O-CB 3.5Å; V110-S134 WeakPolarHBondContact O-CB 3.43Å; G113-S134 VanDerWaalsContact C-OG 3.26Å; G113-S134 WeakPolarHBondContact O-CB 3.41Å; G113-S134 PolarHBondContact O-OG 3.15Å; G132-S134 PolarHBondContact O-N 3.2Å; S134-D136 VanDerWaalsContact C-N 3.29Å; S134-D136 PolarHBondContact O-N 3.36Å; S134-L137 PolarHBondContact O-N 2.82Å; S134-A138 PolarHBondContact O-N 3.13Å; S134-A138 VanDerWaalsContact O-N 3.1Å
135V98.6Very high97.1Very high0 Ų030.8 Ų30.80%020%0.202CC..Hα-helixtrans-65.8-34.5178.5178.50000111.3A114 T116 V120 H130 A133 A138 I139A114-V135 HydrophobicContact CB-CG2 4.43Å; T116-V135 HydrophobicContact CG2-CG2 3.94Å; V120-V135 HydrophobicContact CG1-CG1 4.08Å; H130-V135 HydrophobicContact CB-CG2 3.7Å; A133-V135 PolarHBondContact O-N 3.46Å; V135-A138 PolarHBondContact O-N 3.22Å; V135-I139 HydrophobicContact CG1-CD1 4.01Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 VanDerWaalsContact O-CG1 3.3Å; V135-I139 WeakPolarHBondContact O-CG1 3.42Å; V135-I139 PolarHBondContact O-N 3.22Å
136D98.6Very high97.2Very high15 Ų1531.3 Ų31.38%0.0821%0.207CC..Hα-helixtrans-65.6-42.3178-53.7-51.4000111.4A133 S134 A138 I139 F140 L202 R205 N206A133-D136 WeakPolarHBondContact CA-OD2 3.45Å; A133-D136 PolarHBondContact O-N 3Å; S134-D136 VanDerWaalsContact C-N 3.29Å; S134-D136 PolarHBondContact O-N 3.36Å; D136-A138 PolarHBondContact O-N 2.85Å; D136-I139 WeakPolarHBondContact O-CB 3.27Å; D136-I139 PolarHBondContact O-N 3.08Å; D136-F140 HydrophobicContact CB-CE2 4.46Å; D136-F140 WeakPolarHBondContact O-CD2 3.12Å; D136-F140 PolarHBondContact O-N 3.06Å; D136-L202 HydrophobicContact CB-CD1 3.9Å; D136-L202 VanDerWaalsContact OD1-CD1 3.26Å; D136-L202 WeakPolarHBondContact OD1-CD1 3.42Å; D136-R205 IonicContact OD1-CZ 3.51Å; D136-R205 IonicContact OD1-NE 2.75Å; D136-R205 PolarHBondContact OD1-NE 2.75Å; D136-R205 IonicContact OD1-NH2 3.39Å; D136-R205 PolarHBondContact OD1-NH2 2.89Å; D136-R205 IonicContact OD2-CZ 3.87Å; D136-R205 IonicContact OD2-NE 3.84Å; D136-R205 IonicContact OD2-NH2 3Å; D136-R205 PolarHBondContact OD2-NH2 3.19Å; D136-N206 PolarHBondContact OD1-ND2 3.1Å
137L98.8Very high97.3Very high36 Ų3634.1 Ų34.119%0.18822%0.219CC..Hα-helixtrans-63.5-39.8174.7-67.8173.9000112.3L103 V106 V110 A133 S134 F140 S141L103-L137 HydrophobicContact CD2-CD2 3.85Å; V106-L137 HydrophobicContact CG1-CD1 3.82Å; V110-L137 HydrophobicContact CB-CD1 4.29Å; V110-L137 HydrophobicContact CG1-CD1 4.46Å; V110-L137 HydrophobicContact CG2-CD1 4.25Å; A133-L137 WeakPolarHBondContact O-CG 3.33Å; A133-L137 PolarHBondContact O-N 3.15Å; S134-L137 PolarHBondContact O-N 2.82Å; L137-F140 PolarHBondContact O-N 2.82Å; L137-S141 WeakPolarHBondContact O-CB 3.26Å; L137-S141 PolarHBondContact O-N 3.43Å
138A98.6Very high97.5Very high4 Ų432.7 Ų32.73%0.03320%0.204CC..Hα-helixtrans-63.6-42.2173.700000111.4A114 S134 V135 D136 S141 L142A114-A138 HydrophobicContact CB-CB 4.02Å; S134-A138 PolarHBondContact O-N 3.13Å; S134-A138 VanDerWaalsContact O-N 3.1Å; V135-A138 PolarHBondContact O-N 3.22Å; D136-A138 PolarHBondContact O-N 2.85Å; A138-S141 WeakPolarHBondContact O-CB 3.17Å; A138-S141 PolarHBondContact O-N 3.41Å; A138-L142 WeakPolarHBondContact O-CG 3.16Å; A138-L142 PolarHBondContact O-N 3.27Å
139I98.8Very high97.8Very high2 Ų226.9 Ų26.91%0.0118%0.176CC..Hα-helixtrans-60.4-46.4174.1-71.6168000110.9V135 D136 S141 L142 H143 I198 L201 L202V135-I139 HydrophobicContact CG1-CD1 4.01Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 VanDerWaalsContact O-CG1 3.3Å; V135-I139 WeakPolarHBondContact O-CG1 3.42Å; V135-I139 PolarHBondContact O-N 3.22Å; D136-I139 WeakPolarHBondContact O-CB 3.27Å; D136-I139 PolarHBondContact O-N 3.08Å; I139-S141 VanDerWaalsContact C-N 3.32Å; I139-S141 PolarHBondContact O-N 2.88Å; I139-L142 PolarHBondContact O-N 3.02Å; I139-H143 WeakPolarHBondContact CG2-CE1 3.34Å; I139-H143 WeakPolarHBondContact CG2-ND1 3.37Å; I139-H143 PolarHBondContact O-N 3.24Å; I139-H143 PolarHBondContact O-ND1 3.27Å; I139-I198 HydrophobicContact CG1-CB 4.38Å; I139-I198 HydrophobicContact CG2-CB 4.08Å; I139-I198 HydrophobicContact CG2-CD1 4.29Å; I139-I198 HydrophobicContact CG2-CG1 4.27Å; I139-L201 HydrophobicContact CD1-CD2 4Å; I139-L201 HydrophobicContact CD1-CG 4.14Å; I139-L202 HydrophobicContact CD1-CB 4.3Å; I139-L202 HydrophobicContact CD1-CD1 4.27Å; I139-L202 HydrophobicContact CG2-CB 4.26Å; I139-L202 HydrophobicContact CG2-CD1 4.34Å; I139-L202 HydrophobicContact CG2-CD2 4.41Å
140F98.8Very high98Very high98 Ų9826.2 Ų26.243%0.4316%0.164SC..Hα-helixtrans-64-36.8177.2-71.9-55.6000112.7L103 D136 L137 H143 L144 L202L103-F140 HydrophobicContact CD1-CB 3.97Å; D136-F140 HydrophobicContact CB-CE2 4.46Å; D136-F140 WeakPolarHBondContact O-CD2 3.12Å; D136-F140 PolarHBondContact O-N 3.06Å; L137-F140 PolarHBondContact O-N 2.82Å; F140-H143 PolarHBondContact O-N 2.98Å; F140-L144 WeakPolarHBondContact O-CG 3.43Å; F140-L144 PolarHBondContact O-N 3.28Å; F140-L144 VanDerWaalsContact O-N 3.08Å; F140-L202 HydrophobicContact CE1-CD2 3.85Å; F140-L202 HydrophobicContact CZ-CD1 4.47Å; F140-L202 HydrophobicContact CZ-CD2 3.82Å
141S98.8Very high98.1Very high0 Ų027 Ų270%017%0.169CC..Hα-helixtrans-56.5-50.6172.41780000111.6F60 A100 L104 L137 A138 I139 H143 L144 A145F60-S141 WeakPolarHBondContact CZ-OG 3.11Å; A100-S141 VanDerWaalsContact O-CB 3.26Å; A100-S141 WeakPolarHBondContact O-CB 3.48Å; A100-S141 PolarHBondContact O-OG 2.81Å; L104-S141 WeakPolarHBondContact CB-OG 3.37Å; L137-S141 WeakPolarHBondContact O-CB 3.26Å; L137-S141 PolarHBondContact O-N 3.43Å; A138-S141 WeakPolarHBondContact O-CB 3.17Å; A138-S141 PolarHBondContact O-N 3.41Å; I139-S141 VanDerWaalsContact C-N 3.32Å; I139-S141 PolarHBondContact O-N 2.88Å; S141-H143 VanDerWaalsContact C-N 3.33Å; S141-H143 PolarHBondContact O-N 3.36Å; S141-L144 PolarHBondContact O-N 3.47Å; S141-A145 PolarHBondContact O-N 3.25Å
142L98.4Very high98.4Very high9 Ų924.2 Ų24.25%0.04714%0.14CC..Hα-helixtrans-64.7-35.3179.3-66177.3000112.5F55 F59 A138 I139 G146 I198F55-L142 HydrophobicContact CD1-CD1 4.48Å; F55-L142 HydrophobicContact CD1-CD2 3.76Å; F55-L142 HydrophobicContact CE1-CD1 3.74Å; F55-L142 HydrophobicContact CE1-CD2 3.84Å; F55-L142 HydrophobicContact CE1-CG 4.34Å; F55-L142 HydrophobicContact CG-CD2 4.39Å; F55-L142 HydrophobicContact CZ-CD1 3.8Å; F59-L142 HydrophobicContact CD2-CD2 3.78Å; F59-L142 HydrophobicContact CE2-CD2 3.87Å; F59-L142 HydrophobicContact CG-CD2 4.34Å; F59-L142 HydrophobicContact CZ-CD2 4.5Å; A138-L142 WeakPolarHBondContact O-CG 3.16Å; A138-L142 PolarHBondContact O-N 3.27Å; I139-L142 PolarHBondContact O-N 3.02Å; L142-G146 PolarHBondContact O-N 3.4Å; L142-I198 HydrophobicContact CB-CD1 3.85Å
143H98.8Very high98.5Very high37 Ų3723.3 Ų23.317%0.17113%0.13CC..Hα-helixtrans-60.8-48.3172.5-7996.2000112I139 F140 S141 G146 I147 I198 T199I139-H143 WeakPolarHBondContact CG2-CE1 3.34Å; I139-H143 WeakPolarHBondContact CG2-ND1 3.37Å; I139-H143 PolarHBondContact O-N 3.24Å; I139-H143 PolarHBondContact O-ND1 3.27Å; F140-H143 PolarHBondContact O-N 2.98Å; S141-H143 VanDerWaalsContact C-N 3.33Å; S141-H143 PolarHBondContact O-N 3.36Å; H143-G146 PolarHBondContact O-N 3.27Å; H143-I147 VanDerWaalsContact O-CG1 3.26Å; H143-I147 WeakPolarHBondContact O-CG1 3.44Å; H143-I147 PolarHBondContact O-N 2.98Å; H143-I198 VanDerWaalsContact CE1-CD1 3.47Å; H143-I198 WeakPolarHBondContact CE1-CD1 3.36Å; H143-I198 VanDerWaalsContact CE1-CG1 3.4Å; H143-I198 WeakPolarHBondContact CE1-CG1 3.48Å; H143-I198 WeakPolarHBondContact ND1-CD1 3.23Å; H143-T199 PolarHBondContact NE2-OG1 2.8Å
144L98.8Very high98.6Very high44 Ų4423.4 Ų23.423%0.2313%0.126CC..Hα-helixtrans-65.2-41.4-179.7-67.6-172.4000111.9L96 P99 A100 L103 F140 S141 G146 I147 S148L96-L144 HydrophobicContact CD2-CD2 4.25Å; P99-L144 HydrophobicContact CB-CD1 4.24Å; P99-L144 HydrophobicContact CG-CD1 4.35Å; A100-L144 HydrophobicContact CB-CB 3.63Å; A100-L144 HydrophobicContact CB-CD1 4.43Å; L103-L144 HydrophobicContact CD1-CD1 3.7Å; F140-L144 WeakPolarHBondContact O-CG 3.43Å; F140-L144 PolarHBondContact O-N 3.28Å; F140-L144 VanDerWaalsContact O-N 3.08Å; S141-L144 PolarHBondContact O-N 3.47Å; L144-G146 VanDerWaalsContact C-N 3.35Å; L144-I147 PolarHBondContact O-N 3.13Å; L144-S148 PolarHBondContact O-N 3.02Å
145A98.6Very high98.6Very high1 Ų123.3 Ų23.31%0.00813%0.125CC..Hα-helixtrans-64.6-38.1174.100000112.4F60 L97 A100 S141 S148 S149F60-A145 HydrophobicContact CE1-CB 4.36Å; F60-A145 HydrophobicContact CZ-CB 4.12Å; L97-A145 HydrophobicContact CD2-CB 4.35Å; A100-A145 HydrophobicContact CB-CB 4.38Å; S141-A145 PolarHBondContact O-N 3.25Å; A145-S148 WeakPolarHBondContact O-CB 3.32Å; A145-S148 PolarHBondContact O-N 3.19Å; A145-S149 PolarHBondContact O-N 3.46Å; A145-S149 VanDerWaalsContact O-N 3.07Å; A145-S149 PolarHBondContact O-OG 3.35Å; A145-S149 VanDerWaalsContact O-OG 3.09Å
146G98.3Very high98.6Very high11 Ų1123.4 Ų23.411%0.11313%0.126CC..Hα-helixtrans-64.1-45.6174.300000112.4L142 H143 L144 S148 S149 I150L142-G146 PolarHBondContact O-N 3.4Å; H143-G146 PolarHBondContact O-N 3.27Å; L144-G146 VanDerWaalsContact C-N 3.35Å; G146-S148 VanDerWaalsContact C-N 3.34Å; G146-S148 PolarHBondContact O-N 3.43Å; G146-S149 PolarHBondContact O-N 2.94Å; G146-I150 WeakPolarHBondContact O-CG1 3.32Å; G146-I150 PolarHBondContact O-N 2.93Å
147I98.8Very high98.6Very high76 Ų7623.8 Ų23.839%0.3913%0.128SC..Hα-helixtrans-61.1-44.5175.4-65163.1000110.3L96 H143 L144 S149 I150 L151L96-I147 HydrophobicContact CD1-CB 4.08Å; L96-I147 HydrophobicContact CD1-CG2 3.53Å; H143-I147 VanDerWaalsContact O-CG1 3.26Å; H143-I147 WeakPolarHBondContact O-CG1 3.44Å; H143-I147 PolarHBondContact O-N 2.98Å; L144-I147 PolarHBondContact O-N 3.13Å; I147-S149 VanDerWaalsContact C-N 3.28Å; I147-S149 PolarHBondContact O-N 3.2Å; I147-I150 PolarHBondContact O-N 3.48Å; I147-L151 HydrophobicContact CG2-CD1 3.95Å; I147-L151 HydrophobicContact CG2-CG 4.18Å; I147-L151 WeakPolarHBondContact O-CB 3.3Å; I147-L151 VanDerWaalsContact O-CG 3.27Å; I147-L151 WeakPolarHBondContact O-CG 3.27Å; I147-L151 PolarHBondContact O-N 2.81Å
148S98.7Very high98.6Very high3 Ų323.7 Ų23.72%0.02113%0.128CC..Hα-helixtrans-51.1-49.8174.3174.60000111.4S93 L144 A145 G146 L151 G152S93-S148 WeakPolarHBondContact CB-O 3.23Å; S93-S148 VanDerWaalsContact O-CB 3.23Å; S93-S148 WeakPolarHBondContact O-CB 3.36Å; S93-S148 PolarHBondContact O-OG 2.88Å; S93-S148 PolarHBondContact OG-O 3.17Å; S93-S148 PolarHBondContact OG-OG 3.43Å; L144-S148 PolarHBondContact O-N 3.02Å; A145-S148 WeakPolarHBondContact O-CB 3.32Å; A145-S148 PolarHBondContact O-N 3.19Å; G146-S148 VanDerWaalsContact C-N 3.34Å; G146-S148 PolarHBondContact O-N 3.43Å; S148-L151 PolarHBondContact O-N 3.28Å; S148-G152 PolarHBondContact O-N 3.41Å
149S98.3Very high98.6Very high23 Ų2323.5 Ų23.516%0.16113%0.127CC..Hα-helixtrans-69.3-40.1-177.6-60.20000113.1A145 G146 I147 G152 A153 L191A145-S149 PolarHBondContact O-N 3.46Å; A145-S149 VanDerWaalsContact O-N 3.07Å; A145-S149 PolarHBondContact O-OG 3.35Å; A145-S149 VanDerWaalsContact O-OG 3.09Å; G146-S149 PolarHBondContact O-N 2.94Å; I147-S149 VanDerWaalsContact C-N 3.28Å; I147-S149 PolarHBondContact O-N 3.2Å; S149-G152 PolarHBondContact O-N 2.71Å; S149-A153 WeakPolarHBondContact O-CB 3.18Å; S149-A153 PolarHBondContact O-N 2.99Å; S149-L191 VanDerWaalsContact CB-CD1 3.48Å
150I98.6Very high98.6Very high44 Ų4423.5 Ų23.523%0.22613%0.127CC..Hα-helixtrans-62.7-46.4175.4-69.3168000110.9G146 I147 G152 A153 V154 L188 L191 P192G146-I150 WeakPolarHBondContact O-CG1 3.32Å; G146-I150 PolarHBondContact O-N 2.93Å; I147-I150 PolarHBondContact O-N 3.48Å; I150-G152 VanDerWaalsContact C-N 3.31Å; I150-G152 PolarHBondContact O-N 3.36Å; I150-A153 PolarHBondContact O-N 2.89Å; I150-V154 WeakPolarHBondContact O-CG2 3.27Å; I150-V154 PolarHBondContact O-N 3.47Å; I150-L188 HydrophobicContact CG2-CD1 4.03Å; I150-L191 HydrophobicContact CD1-CB 3.93Å; I150-L191 HydrophobicContact CG1-CB 3.88Å; I150-L191 HydrophobicContact CG1-CD1 3.8Å; I150-P192 HydrophobicContact CD1-CG 4.49Å
151L98.7Very high98.6Very high33 Ų3323 Ų2317%0.17313%0.128CC..Hα-helixtrans-61.8-41.6177.4-68.5-179.9000111.3M89 M92 L96 I147 S148 N155M89-L151 HydrophobicContact CG-CB 3.96Å; M89-L151 HydrophobicContact CG-CD2 3.91Å; M89-L151 HydrophobicContact CG-CG 4.33Å; M89-L151 HydrophobicContact SD-CB 4.35Å; M89-L151 HydrophobicContact SD-CD2 4.01Å; M92-L151 HydrophobicContact CE-CD1 4.37Å; M92-L151 HydrophobicContact CG-CD1 4.14Å; M92-L151 HydrophobicContact SD-CD1 4.14Å; L96-L151 HydrophobicContact CD1-CD1 4.07Å; I147-L151 HydrophobicContact CG2-CD1 3.95Å; I147-L151 HydrophobicContact CG2-CG 4.18Å; I147-L151 WeakPolarHBondContact O-CB 3.3Å; I147-L151 VanDerWaalsContact O-CG 3.27Å; I147-L151 WeakPolarHBondContact O-CG 3.27Å; I147-L151 PolarHBondContact O-N 2.81Å; S148-L151 PolarHBondContact O-N 3.28Å; L151-N155 WeakPolarHBondContact O-CB 3.46Å; L151-N155 PolarHBondContact O-N 2.93Å; L151-N155 VanDerWaalsContact O-N 3.16Å
152G98.4Very high98.5Very high6 Ų628.5 Ų28.56%0.06216%0.157CC..Hα-helixtrans-60-48.6173.400000111.9S148 S149 I150 N155 F156S148-G152 PolarHBondContact O-N 3.41Å; S149-G152 PolarHBondContact O-N 2.71Å; I150-G152 VanDerWaalsContact C-N 3.31Å; I150-G152 PolarHBondContact O-N 3.36Å; G152-N155 WeakPolarHBondContact O-CB 3.41Å; G152-N155 PolarHBondContact O-N 2.99Å; G152-F156 WeakPolarHBondContact O-CD2 3.47Å; G152-F156 PolarHBondContact O-N 2.89Å
153A98.6Very high98.5Very high1 Ų130.6 Ų30.61%0.00817%0.167CC..Hα-helixtrans-59.3-49.1-179.900000112.8S149 I150 N155 F156 I157 A184 L187 L188S149-A153 WeakPolarHBondContact O-CB 3.18Å; S149-A153 PolarHBondContact O-N 2.99Å; I150-A153 PolarHBondContact O-N 2.89Å; A153-N155 VanDerWaalsContact C-N 3.26Å; A153-N155 PolarHBondContact O-N 2.99Å; A153-F156 PolarHBondContact O-N 3.5Å; A153-I157 WeakPolarHBondContact O-CB 3.4Å; A153-I157 WeakPolarHBondContact O-CD1 3.27Å; A153-I157 VanDerWaalsContact O-CG1 3.27Å; A153-I157 WeakPolarHBondContact O-CG1 3.41Å; A153-I157 PolarHBondContact O-N 3.2Å; A153-A184 HydrophobicContact CB-CB 3.98Å; A153-A184 WeakPolarHBondContact CB-O 3.32Å; A153-L187 HydrophobicContact CB-CB 4.36Å; A153-L188 HydrophobicContact CB-CB 4.37Å
154V98.8Very high98.4Very high46 Ų4632.1 Ų32.128%0.27917%0.172SC..Hα-helixtrans-57.7-42.3176.3171.50000110.9F86 M89 I150 T158 L188F86-V154 HydrophobicContact CE2-CG1 4.24Å; M89-V154 HydrophobicContact SD-CG1 4.48Å; I150-V154 WeakPolarHBondContact O-CG2 3.27Å; I150-V154 PolarHBondContact O-N 3.47Å; V154-T158 WeakPolarHBondContact O-CB 3.33Å; V154-T158 PolarHBondContact O-N 3.46Å; V154-T158 PolarHBondContact O-OG1 3.14Å; V154-L188 HydrophobicContact CG2-CD1 3.78Å; V154-L188 HydrophobicContact CG2-CD2 4.43Å
155N98.7Very high98.3Very high0 Ų032.3 Ų32.30%018%0.177CC..Hα-helixtrans-68-43.6179.2-170.623.8000112.3M84 A85 F86 N90 L151 G152 A153 T158 T159M84-N155 HydrophobicContact CE-CB 4.41Å; M84-N155 WeakPolarHBondContact CE-ND2 3.43Å; A85-N155 PolarHBondContact N-OD1 2.96Å; F86-N155 HydrophobicContact CD2-CB 4.28Å; F86-N155 PolarHBondContact N-OD1 3.4Å; N90-N155 WeakPolarHBondContact CB-ND2 3.42Å; L151-N155 WeakPolarHBondContact O-CB 3.46Å; L151-N155 PolarHBondContact O-N 2.93Å; L151-N155 VanDerWaalsContact O-N 3.16Å; G152-N155 WeakPolarHBondContact O-CB 3.41Å; G152-N155 PolarHBondContact O-N 2.99Å; A153-N155 VanDerWaalsContact C-N 3.26Å; A153-N155 PolarHBondContact O-N 2.99Å; N155-T158 PolarHBondContact O-N 2.87Å; N155-T159 VanDerWaalsContact O-CB 3.29Å; N155-T159 WeakPolarHBondContact O-CB 3.42Å; N155-T159 PolarHBondContact O-N 3.47Å; N155-T159 PolarHBondContact O-OG1 3.22Å
156F98.8Very high98.1Very high2 Ų239.7 Ų39.71%0.00922%0.222CC..Hα-helixtrans-61.1-50.3175.3-78.8-58.8000111.8I67 G71 V75 M84 G152 A153 T158 T159 V160 V180 A184I67-F156 HydrophobicContact CG2-CD2 4.26Å; I67-F156 HydrophobicContact CG2-CE2 3.81Å; I67-F156 WeakPolarHBondContact O-CE2 3.44Å; I67-F156 VanDerWaalsContact O-CZ 3.27Å; I67-F156 WeakPolarHBondContact O-CZ 3.36Å; G71-F156 WeakPolarHBondContact O-CE1 3.24Å; 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 4.3Å; M84-F156 HydrophobicContact CE-CD1 3.46Å; M84-F156 VanDerWaalsContact CE-CD1 3.46Å; M84-F156 HydrophobicContact CE-CE1 3.49Å; M84-F156 VanDerWaalsContact CE-CE1 3.49Å; M84-F156 HydrophobicContact CE-CG 4.12Å; M84-F156 HydrophobicContact CE-CZ 4.21Å; M84-F156 HydrophobicContact SD-CD1 4.48Å; M84-F156 HydrophobicContact SD-CE1 4.25Å; G152-F156 WeakPolarHBondContact O-CD2 3.47Å; G152-F156 PolarHBondContact O-N 2.89Å; A153-F156 PolarHBondContact O-N 3.5Å; F156-T158 VanDerWaalsContact C-N 3.3Å; F156-T158 PolarHBondContact O-N 2.86Å; F156-T159 PolarHBondContact O-N 3.21Å; F156-V160 WeakPolarHBondContact O-CB 3.33Å; F156-V160 VanDerWaalsContact O-CG2 3.27Å; F156-V160 WeakPolarHBondContact O-CG2 3.36Å; F156-V160 PolarHBondContact O-N 2.96Å; F156-V180 HydrophobicContact CB-CG1 4.3Å; F156-V180 HydrophobicContact CD1-CG1 3.79Å; F156-V180 HydrophobicContact CD2-CG1 4.21Å; F156-V180 HydrophobicContact CE1-CG1 4.2Å; F156-V180 HydrophobicContact CG-CG1 3.84Å; F156-A184 HydrophobicContact CB-CB 4.13Å
157I98.8Very high97.9Very high24 Ų2441.9 Ų41.912%0.12325%0.245CC..Hα-helixtrans-56-48.4178.5-68.4162.5000109.9A153 T159 V160 I161 A184 L185 L188A153-I157 WeakPolarHBondContact O-CB 3.4Å; A153-I157 WeakPolarHBondContact O-CD1 3.27Å; A153-I157 VanDerWaalsContact O-CG1 3.27Å; A153-I157 WeakPolarHBondContact O-CG1 3.41Å; A153-I157 PolarHBondContact O-N 3.2Å; I157-T159 PolarHBondContact O-N 3.09Å; I157-V160 PolarHBondContact O-N 3.18Å; 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 3.15Å; I157-I161 PolarHBondContact O-N 3.48Å; I157-A184 HydrophobicContact CD1-CB 4.17Å; I157-A184 HydrophobicContact CG1-CB 3.85Å; I157-L185 HydrophobicContact CD1-CD2 3.79Å; I157-L185 HydrophobicContact CD1-CG 4.17Å; I157-L185 HydrophobicContact CG1-CD2 4.32Å; I157-L185 HydrophobicContact CG1-CG 4.4Å; I157-L188 HydrophobicContact CD1-CD2 3.87Å
158T98.7Very high97.8Very high33 Ų3340.2 Ų40.220%0.20224%0.236CC..Hα-helixtrans-65.3-42.3-178.3-53.80000112A85 F86 V154 N155 F156 I161 N162A85-T158 HydrophobicContact CB-CG2 3.69Å; F86-T158 HydrophobicContact CE2-CG2 3.71Å; F86-T158 WeakPolarHBondContact CE2-OG1 3.47Å; F86-T158 HydrophobicContact CZ-CG2 3.7Å; V154-T158 WeakPolarHBondContact O-CB 3.33Å; V154-T158 PolarHBondContact O-N 3.46Å; V154-T158 PolarHBondContact O-OG1 3.14Å; N155-T158 PolarHBondContact O-N 2.87Å; F156-T158 VanDerWaalsContact C-N 3.3Å; F156-T158 PolarHBondContact O-N 2.86Å; T158-I161 PolarHBondContact O-N 2.96Å; T158-N162 WeakPolarHBondContact O-CB 3.23Å; T158-N162 PolarHBondContact O-N 3.35Å; T158-N162 PolarHBondContact O-ND2 3Å; T158-N162 VanDerWaalsContact O-ND2 3.09Å
159T98.5Very high97.6Very high0 Ų042.3 Ų42.30%025%0.251CS..Hα-helixtrans-62.7-49.9177.9-56.60000110.6M84 A85 N155 F156 I157 I161 N162 M163M84-T159 HydrophobicContact SD-CG2 4.05Å; A85-T159 WeakPolarHBondContact CB-OG1 3.37Å; A85-T159 PolarHBondContact N-OG1 3.09Å; N155-T159 VanDerWaalsContact O-CB 3.29Å; N155-T159 WeakPolarHBondContact O-CB 3.42Å; N155-T159 PolarHBondContact O-N 3.47Å; N155-T159 PolarHBondContact O-OG1 3.22Å; F156-T159 PolarHBondContact O-N 3.21Å; I157-T159 PolarHBondContact O-N 3.09Å; T159-I161 VanDerWaalsContact C-N 3.32Å; T159-I161 PolarHBondContact O-N 2.7Å; T159-N162 PolarHBondContact O-N 2.83Å; T159-M163 HydrophobicContact CG2-CB 4.29Å; T159-M163 HydrophobicContact CG2-SD 4.13Å; T159-M163 WeakPolarHBondContact O-CB 3.11Å; T159-M163 PolarHBondContact O-N 3.15Å
160V98.4Very high97.5Very high2 Ų245.2 Ų45.21%0.01226%0.264CS..Hα-helixtrans-64-39.1-179.2175.70000111.1V75 L79 F156 I157 R164 M173 V177 V181V75-V160 HydrophobicContact CG1-CG2 3.78Å; L79-V160 HydrophobicContact CD1-CB 4.33Å; L79-V160 HydrophobicContact CD1-CG2 4.05Å; F156-V160 WeakPolarHBondContact O-CB 3.33Å; F156-V160 VanDerWaalsContact O-CG2 3.27Å; F156-V160 WeakPolarHBondContact O-CG2 3.36Å; F156-V160 PolarHBondContact O-N 2.96Å; I157-V160 PolarHBondContact O-N 3.18Å; V160-R164 WeakPolarHBondContact O-CD 3.22Å; V160-R164 WeakPolarHBondContact O-CG 3.27Å; V160-R164 PolarHBondContact O-NH1 3.04Å; V160-M173 HydrophobicContact CG1-CE 4.09Å; V160-M173 HydrophobicContact CG1-SD 3.59Å; V160-M173 VanDerWaalsContact CG1-SD 3.59Å; V160-V177 HydrophobicContact CG1-CG1 3.9Å; V160-V177 HydrophobicContact CG2-CG1 3.75Å; V160-V181 HydrophobicContact CB-CG2 3.65Å; V160-V181 HydrophobicContact CG1-CB 4.32Å; V160-V181 HydrophobicContact CG1-CG2 3.69Å; V160-V181 HydrophobicContact CG2-CG2 3.83Å
161I97.8Very high97.3Very high89 Ų8949.1 Ų49.146%0.45629%0.285SS..Hα-helixtrans-71.8-42.7-179-69.4173.9000112.1I157 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 3.15Å; I157-I161 PolarHBondContact O-N 3.48Å; T158-I161 PolarHBondContact O-N 2.96Å; T159-I161 VanDerWaalsContact C-N 3.32Å; T159-I161 PolarHBondContact O-N 2.7Å; I161-R164 VanDerWaalsContact CA-NH1 3.27Å; I161-R164 PolarHBondContact O-NH1 3.34Å; I161-R164 PolarHBondContact O-NH2 2.99Å
162N98.1Very high97.2Very high114 Ų11456.1 Ų56.161%0.6131%0.31SS*.Hα-helixtrans-109.4-17.6-164-63-63.1000115.4T158 T159T158-N162 WeakPolarHBondContact O-CB 3.23Å; T158-N162 PolarHBondContact O-N 3.35Å; T158-N162 PolarHBondContact O-ND2 3Å; T158-N162 VanDerWaalsContact O-ND2 3.09Å; T159-N162 PolarHBondContact O-N 2.83Å
163M97.9Very high97.2Very high53 Ų5356.3 Ų56.326%0.26131%0.309SS..  trans-11215-169.8-57.3-171.369.500114.4A81 P82 D83 A85 T159A81-M163 HydrophobicContact CB-CB 3.93Å; A81-M163 WeakPolarHBondContact CB-O 3.42Å; P82-M163 HydrophobicContact CG-CE 4.27Å; D83-M163 VanDerWaalsContact O-CE 3.26Å; D83-M163 WeakPolarHBondContact O-CE 3.31Å; A85-M163 WeakPolarHBondContact CA-SD 3.41Å; A85-M163 HydrophobicContact CB-SD 3.71Å; A85-M163 PolarHBondContact N-SD 3.02Å; T159-M163 HydrophobicContact CG2-CB 4.29Å; T159-M163 HydrophobicContact CG2-SD 4.13Å; T159-M163 WeakPolarHBondContact O-CB 3.11Å; T159-M163 PolarHBondContact O-N 3.15Å
164R97.3Very high97.1Very high70 Ų7058.6 Ų58.626%0.26432%0.324SS..PPolyproline II helixtrans-66.7139.1175.5-54.8-171.1-65.1-79.7-13.5110.5L79 V160 I161 I168 M173L79-R164 HydrophobicContact CD1-CG 4.33Å; L79-R164 HydrophobicContact CD2-CG 3.83Å; V160-R164 WeakPolarHBondContact O-CD 3.22Å; V160-R164 WeakPolarHBondContact O-CG 3.27Å; V160-R164 PolarHBondContact O-NH1 3.04Å; I161-R164 VanDerWaalsContact CA-NH1 3.27Å; I161-R164 PolarHBondContact O-NH1 3.34Å; I161-R164 PolarHBondContact O-NH2 2.99Å; R164-I168 HydrophobicContact CB-CB 4.36Å; R164-I168 PolarHBondContact NE-O 2.95Å; R164-M173 VanDerWaalsContact CD-SD 3.56Å
165S96.3Very high97.1Very high48 Ų4863.6 Ų63.634%0.33635%0.348SS..PPolyproline II helixtrans-63.9153.717155.60000112.2L79 G167 I168L79-S165 WeakPolarHBondContact O-CB 3.37Å; L79-S165 PolarHBondContact O-N 2.83Å; L79-S165 PolarHBondContact O-OG 3.15Å; S165-G167 PolarHBondContact O-N 3.28Å; S165-I168 PolarHBondContact O-N 3.17Å; S165-I168 VanDerWaalsContact O-N 3.13Å; S165-I168 WeakPolarHBondContact OG-CD1 3.32Å
166T94.6Very high97.1Very high155 Ų15566.1 Ų66.195%0.95136%0.359SS*.THydrogen-bonded Turntrans-57.1127.6178.1-50.30000110.5
167G92.6Very high97.1Very high58 Ų5866 Ų6660%0.59836%0.359SS*.THydrogen-bonded Turntrans98.3-12.4-178.700000114.9S165 S169S165-G167 PolarHBondContact O-N 3.28Å; G167-S169 PolarHBondContact O-N 3.21Å
168I96.5Very high97.1Very high41 Ų4169 Ų6921%0.2137%0.369CS..  trans-89.389.2168.3-54.4-175.5000109.3R164 S165 M173R164-I168 HydrophobicContact CB-CB 4.36Å; R164-I168 PolarHBondContact NE-O 2.95Å; S165-I168 PolarHBondContact O-N 3.17Å; S165-I168 VanDerWaalsContact O-N 3.13Å; S165-I168 WeakPolarHBondContact OG-CD1 3.32Å; I168-M173 HydrophobicContact CG2-CG 3.94Å
169S95.6Very high97.1Very high46 Ų4670.1 Ų70.132%0.32238%0.378SS..  trans-73.8164165.855.60000111G167 D171 R172 M173G167-S169 PolarHBondContact O-N 3.21Å; S169-D171 VanDerWaalsContact C-N 3.31Å; S169-D171 WeakPolarHBondContact CB-OD1 3.46Å; S169-D171 PolarHBondContact O-N 2.71Å; S169-D171 PolarHBondContact OG-OD1 2.94Å; S169-R172 PolarHBondContact O-N 3.37Å; S169-R172 WeakPolarHBondContact OG-CD 3.37Å; S169-R172 WeakPolarHBondContact OG-CG 3.29Å; S169-M173 PolarHBondContact O-N 2.99Å
170L95.5Very high97.1Very high85 Ų8570.3 Ų70.345%0.44538%0.378SS..G310 helixtrans-58.9-41.4-175.6-72.6172.8000112.5R172 M173 W178L170-R172 PolarHBondContact O-N 3.02Å; L170-M173 HydrophobicContact CB-CE 4.41Å; L170-M173 HydrophobicContact CD2-CE 3.51Å; L170-M173 HydrophobicContact CD2-SD 3.94Å; L170-M173 PolarHBondContact O-N 2.9Å; L170-W178 HydrophobicContact CB-CZ2 4.15Å; L170-W178 VanDerWaalsContact O-CZ2 3.27Å; L170-W178 WeakPolarHBondContact O-CZ2 3.38Å; L170-W178 PolarHBondContact O-NE1 3.24Å
171D95.9Very high97.1Very high126 Ų12670.8 Ų70.867%0.67438%0.382SS*.G310 helixtrans-63.7-17.3176.460.2-52.7000113.6S169S169-D171 VanDerWaalsContact C-N 3.31Å; S169-D171 WeakPolarHBondContact CB-OD1 3.46Å; S169-D171 PolarHBondContact O-N 2.71Å; S169-D171 PolarHBondContact OG-OD1 2.94Å
172R95.9Very high97.1Very high180 Ų18070.9 Ų70.968%0.67938%0.382SS*.G310 helixtrans-1063.8-179.1-62.1-178.6-177.4-169.3-2.3113.6S169 L170S169-R172 PolarHBondContact O-N 3.37Å; S169-R172 WeakPolarHBondContact OG-CD 3.37Å; S169-R172 WeakPolarHBondContact OG-CG 3.29Å; L170-R172 PolarHBondContact O-N 3.02Å
173M97.6Very high97.1Very high10 Ų1067.6 Ų67.65%0.04937%0.366CS..SBendtrans-67.6142.4176.7-66.9-170.3-57.700111.2L79 V160 R164 I168 S169 L170 V177 W178L79-M173 HydrophobicContact CD2-CG 4.38Å; L79-M173 HydrophobicContact CD2-SD 4.3Å; V160-M173 HydrophobicContact CG1-CE 4.09Å; V160-M173 HydrophobicContact CG1-SD 3.59Å; V160-M173 VanDerWaalsContact CG1-SD 3.59Å; R164-M173 VanDerWaalsContact CD-SD 3.56Å; I168-M173 HydrophobicContact CG2-CG 3.94Å; S169-M173 PolarHBondContact O-N 2.99Å; L170-M173 HydrophobicContact CB-CE 4.41Å; L170-M173 HydrophobicContact CD2-CE 3.51Å; L170-M173 HydrophobicContact CD2-SD 3.94Å; L170-M173 PolarHBondContact O-N 2.9Å; M173-V177 HydrophobicContact SD-CG1 4.26Å; M173-W178 HydrophobicContact CE-CD2 3.76Å; M173-W178 HydrophobicContact CE-CE3 4.21Å; M173-W178 HydrophobicContact CE-CG 4.31Å; M173-W178 HydrophobicContact CE-CH2 3.98Å; M173-W178 HydrophobicContact CE-CZ2 3.5Å; M173-W178 HydrophobicContact CE-CZ3 4.3Å
174P98Very high97.1Very high49 Ų4965.1 Ų65.132%0.31835%0.354SS..  trans-56.7144.9173.8-27.237.6000112.2M78 F176 V177 W178M78-P174 HydrophobicContact CB-CG 4.19Å; M78-P174 HydrophobicContact SD-CB 4.28Å; P174-F176 PolarHBondContact O-N 2.98Å; P174-V177 HydrophobicContact CB-CG2 4.27Å; P174-V177 HydrophobicContact CG-CG2 4.42Å; P174-V177 WeakPolarHBondContact O-CB 3.48Å; P174-V177 PolarHBondContact O-N 3.33Å; P174-W178 PolarHBondContact O-N 2.94Å; P174-W178 VanDerWaalsContact O-N 3.12Å
175L98.3Very high97.2Very high151 Ų15165.7 Ų65.779%0.79136%0.362SS*.Hα-helixtrans-58-33.9-177.4-66.7177.6000113.2V177 W178 S179L175-V177 VanDerWaalsContact C-N 3.35Å; L175-W178 WeakPolarHBondContact O-CB 3.36Å; L175-W178 PolarHBondContact O-N 2.76Å; L175-S179 PolarHBondContact O-N 3.28Å
176F98.4Very high97.3Very high52 Ų5267.1 Ų67.123%0.22837%0.365CS..Hα-helixtrans-64.1-38.4174.6178.8-101000112.6F70 L74 V75 M78 P174 W178 S179 V180F70-F176 HydrophobicContact CB-CE2 4.32Å; F70-F176 HydrophobicContact CB-CZ 3.74Å; L74-F176 HydrophobicContact CB-CD1 4.23Å; L74-F176 HydrophobicContact CB-CE1 3.8Å; L74-F176 HydrophobicContact CD1-CE1 4.11Å; L74-F176 HydrophobicContact CD1-CZ 4.37Å; V75-F176 HydrophobicContact CG2-CE1 4.07Å; M78-F176 HydrophobicContact CE-CB 4.4Å; M78-F176 HydrophobicContact CE-CD1 4.12Å; M78-F176 HydrophobicContact CE-CG 4.49Å; M78-F176 HydrophobicContact SD-CB 4.09Å; M78-F176 HydrophobicContact SD-CD1 3.69Å; M78-F176 HydrophobicContact SD-CG 4.3Å; P174-F176 PolarHBondContact O-N 2.98Å; F176-W178 VanDerWaalsContact C-N 3.33Å; F176-S179 WeakPolarHBondContact CA-OG 3.47Å; F176-S179 PolarHBondContact O-N 3.42Å; F176-S179 PolarHBondContact O-OG 2.99Å; F176-V180 HydrophobicContact CD1-CG2 4.38Å; F176-V180 HydrophobicContact CE1-CG2 3.84Å; 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 2.81Å
177V98.5Very high97.4Very high0 Ų059.9 Ų59.90%032%0.321CS..Hα-helixtrans-67.5-39.8176.1179.10000110.1V75 M78 L79 V160 M173 P174 L175 V180 V181V75-V177 HydrophobicContact CG1-CG1 4.33Å; M78-V177 HydrophobicContact CB-CG2 3.69Å; M78-V177 HydrophobicContact SD-CG2 4.06Å; L79-V177 HydrophobicContact CD1-CG1 4.29Å; L79-V177 HydrophobicContact CD2-CG1 3.95Å; L79-V177 HydrophobicContact CD2-CG2 4.42Å; L79-V177 HydrophobicContact CG-CG1 4.23Å; L79-V177 HydrophobicContact CG-CG2 4.46Å; V160-V177 HydrophobicContact CG1-CG1 3.9Å; V160-V177 HydrophobicContact CG2-CG1 3.75Å; M173-V177 HydrophobicContact SD-CG1 4.26Å; P174-V177 HydrophobicContact CB-CG2 4.27Å; P174-V177 HydrophobicContact CG-CG2 4.42Å; P174-V177 WeakPolarHBondContact O-CB 3.48Å; P174-V177 PolarHBondContact O-N 3.33Å; L175-V177 VanDerWaalsContact C-N 3.35Å; V177-V180 PolarHBondContact O-N 3.19Å; V177-V181 PolarHBondContact O-N 3.37Å
178W98.5Very high97.6Very high88 Ų8859.9 Ų59.933%0.33331%0.307SS..Hα-helixtrans-59.7-46.6172.4-90.5114.8000112.5L170 M173 P174 L175 F176 V180 V181 I182L170-W178 HydrophobicContact CB-CZ2 4.15Å; L170-W178 VanDerWaalsContact O-CZ2 3.27Å; L170-W178 WeakPolarHBondContact O-CZ2 3.38Å; L170-W178 PolarHBondContact O-NE1 3.24Å; M173-W178 HydrophobicContact CE-CD2 3.76Å; M173-W178 HydrophobicContact CE-CE3 4.21Å; M173-W178 HydrophobicContact CE-CG 4.31Å; M173-W178 HydrophobicContact CE-CH2 3.98Å; M173-W178 HydrophobicContact CE-CZ2 3.5Å; M173-W178 HydrophobicContact CE-CZ3 4.3Å; P174-W178 PolarHBondContact O-N 2.94Å; P174-W178 VanDerWaalsContact O-N 3.12Å; L175-W178 WeakPolarHBondContact O-CB 3.36Å; L175-W178 PolarHBondContact O-N 2.76Å; F176-W178 VanDerWaalsContact C-N 3.33Å; W178-V180 VanDerWaalsContact C-N 3.35Å; W178-V180 PolarHBondContact O-N 3.48Å; W178-V181 HydrophobicContact CE3-CG1 4.03Å; W178-V181 HydrophobicContact CZ3-CG1 4.24Å; W178-V181 PolarHBondContact O-N 3.3Å; W178-I182 WeakPolarHBondContact O-CG1 3.41Å; W178-I182 PolarHBondContact O-N 2.9Å
179S98.3Very high97.7Very high56 Ų5664 Ų6439%0.39233%0.328SS..Hα-helixtrans-61.1-44.5178.564.30000111.3L175 F176 V181 I182 T183L175-S179 PolarHBondContact O-N 3.28Å; F176-S179 WeakPolarHBondContact CA-OG 3.47Å; F176-S179 PolarHBondContact O-N 3.42Å; F176-S179 PolarHBondContact O-OG 2.99Å; S179-V181 PolarHBondContact O-N 3.33Å; S179-I182 PolarHBondContact O-N 3.44Å; S179-T183 PolarHBondContact O-N 3.37Å; S179-T183 PolarHBondContact O-OG1 3.39Å; S179-T183 VanDerWaalsContact O-OG1 3.08Å
180V98.4Very high97.7Very high3 Ų361.9 Ų61.92%0.01831%0.314CS..Hα-helixtrans-62.6-40.7177.71740000111.7V75 F156 F176 V177 W178 T183 A184V75-V180 HydrophobicContact CG2-CB 4.12Å; V75-V180 HydrophobicContact CG2-CG1 4.03Å; V75-V180 HydrophobicContact CG2-CG2 4.07Å; F156-V180 HydrophobicContact CB-CG1 4.3Å; F156-V180 HydrophobicContact CD1-CG1 3.79Å; F156-V180 HydrophobicContact CD2-CG1 4.21Å; F156-V180 HydrophobicContact CE1-CG1 4.2Å; F156-V180 HydrophobicContact CG-CG1 3.84Å; F176-V180 HydrophobicContact CD1-CG2 4.38Å; F176-V180 HydrophobicContact CE1-CG2 3.84Å; 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 2.81Å; V177-V180 PolarHBondContact O-N 3.19Å; W178-V180 VanDerWaalsContact C-N 3.35Å; W178-V180 PolarHBondContact O-N 3.48Å; V180-T183 PolarHBondContact O-N 3.41Å; V180-A184 VanDerWaalsContact O-CB 3.3Å; V180-A184 WeakPolarHBondContact O-CB 3.5Å; V180-A184 PolarHBondContact O-N 3.28Å
181V98Very high97.8Very high13 Ų1358.1 Ų58.18%0.07929%0.294CS..Hα-helixtrans-68.9-37.4179.8112.50000112.3V160 V177 W178 S179 A184 L185V160-V181 HydrophobicContact CB-CG2 3.65Å; V160-V181 HydrophobicContact CG1-CB 4.32Å; V160-V181 HydrophobicContact CG1-CG2 3.69Å; V160-V181 HydrophobicContact CG2-CG2 3.83Å; V177-V181 PolarHBondContact O-N 3.37Å; W178-V181 HydrophobicContact CE3-CG1 4.03Å; W178-V181 HydrophobicContact CZ3-CG1 4.24Å; W178-V181 PolarHBondContact O-N 3.3Å; S179-V181 PolarHBondContact O-N 3.33Å; V181-A184 PolarHBondContact O-N 3.05Å; V181-L185 WeakPolarHBondContact O-CG 3.4Å; V181-L185 PolarHBondContact O-N 3.23Å
182I98.4Very high97.9Very high90 Ų9055.3 Ų55.346%0.46228%0.283SS..Hα-helixtrans-65.6-48.5176.1-68.4167.6000109.5W178 S179 A184 L185 L186W178-I182 WeakPolarHBondContact O-CG1 3.41Å; W178-I182 PolarHBondContact O-N 2.9Å; 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 2.91Å; I182-L186 HydrophobicContact CG2-CD1 4.24Å; I182-L186 WeakPolarHBondContact O-CG 3.35Å; I182-L186 PolarHBondContact O-N 3.08Å
183T98.3Very high98.1Very high46 Ų4648.5 Ų48.528%0.28226%0.261SS..Hα-helixtrans-58-45.1175.3-57.60000111.2I67 S179 V180 L185 L186 L187I67-T183 HydrophobicContact CD1-CG2 3.65Å; I67-T183 HydrophobicContact CG1-CG2 4.06Å; S179-T183 PolarHBondContact O-N 3.37Å; S179-T183 PolarHBondContact O-OG1 3.39Å; S179-T183 VanDerWaalsContact O-OG1 3.08Å; V180-T183 PolarHBondContact O-N 3.41Å; T183-L185 VanDerWaalsContact C-N 3.31Å; T183-L185 PolarHBondContact O-N 3.19Å; T183-L186 PolarHBondContact O-N 3.41Å; T183-L186 VanDerWaalsContact O-N 3.15Å; T183-L187 HydrophobicContact CG2-CD1 3.95Å; T183-L187 HydrophobicContact CG2-CG 4.16Å; T183-L187 VanDerWaalsContact O-CG 3.28Å; T183-L187 WeakPolarHBondContact O-CG 3.26Å; T183-L187 PolarHBondContact O-N 3.13Å
184A98.3Very high98.1Very high0 Ų048.4 Ų48.40%026%0.261CS..Hα-helixtrans-58.7-40.4177.400000112.8A153 F156 I157 V180 V181 I182 L188A153-A184 HydrophobicContact CB-CB 3.98Å; A153-A184 WeakPolarHBondContact CB-O 3.32Å; 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 3.3Å; V180-A184 WeakPolarHBondContact O-CB 3.5Å; V180-A184 PolarHBondContact O-N 3.28Å; 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 3.48Å; A184-L188 PolarHBondContact O-N 3.2Å
185L98.6Very high98.1Very high82 Ų8247.6 Ų47.643%0.42926%0.258SS..Hα-helixtrans-64.2-44.7175-74.1167.5000111.9I157 V181 I182 T183 L188 L189I157-L185 HydrophobicContact CD1-CD2 3.79Å; I157-L185 HydrophobicContact CD1-CG 4.17Å; I157-L185 HydrophobicContact CG1-CD2 4.32Å; I157-L185 HydrophobicContact CG1-CG 4.4Å; V181-L185 WeakPolarHBondContact O-CG 3.4Å; V181-L185 PolarHBondContact O-N 3.23Å; I182-L185 PolarHBondContact O-N 2.91Å; T183-L185 VanDerWaalsContact C-N 3.31Å; T183-L185 PolarHBondContact O-N 3.19Å; L185-L188 PolarHBondContact O-N 3.37Å; L185-L189 WeakPolarHBondContact O-CG 3.29Å; L185-L189 PolarHBondContact O-N 2.82Å; L185-L189 VanDerWaalsContact O-N 3.16Å
186L98.3Very high98.1Very high78 Ų7841.8 Ų41.841%0.40824%0.235SC..Hα-helixtrans-61.5-46177.7-66.8175.5000111.3I182 T183 L188 L189 S190I182-L186 HydrophobicContact CG2-CD1 4.24Å; I182-L186 WeakPolarHBondContact O-CG 3.35Å; I182-L186 PolarHBondContact O-N 3.08Å; T183-L186 PolarHBondContact O-N 3.41Å; T183-L186 VanDerWaalsContact O-N 3.15Å; L186-L188 PolarHBondContact O-N 3.27Å; L186-L189 PolarHBondContact O-N 2.91Å; L186-S190 WeakPolarHBondContact O-CB 3.26Å; L186-S190 PolarHBondContact O-N 3.3Å; L186-S190 PolarHBondContact O-OG 3.33Å
187L96.6Very high98.1Very high4 Ų439.3 Ų39.32%0.02122%0.224CC..Hα-helixtrans-60.9-44.5177.5-67.1173.2000112.1M63 A153 T183 L189 S190 L191 E234M63-L187 HydrophobicContact CE-CD1 3.65Å; M63-L187 HydrophobicContact CE-CD2 3.38Å; M63-L187 HydrophobicContact CE-CG 4.13Å; A153-L187 HydrophobicContact CB-CB 4.36Å; T183-L187 HydrophobicContact CG2-CD1 3.95Å; T183-L187 HydrophobicContact CG2-CG 4.16Å; T183-L187 VanDerWaalsContact O-CG 3.28Å; T183-L187 WeakPolarHBondContact O-CG 3.26Å; T183-L187 PolarHBondContact O-N 3.13Å; L187-L189 VanDerWaalsContact C-N 3.26Å; L187-L189 PolarHBondContact O-N 3.08Å; L187-S190 PolarHBondContact O-N 2.57Å; L187-L191 HydrophobicContact CB-CD1 3.96Å; L187-L191 HydrophobicContact CD2-CD1 4.16Å; L187-L191 HydrophobicContact CD2-CG 4.45Å; L187-L191 VanDerWaalsContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CB 3.48Å; L187-L191 WeakPolarHBondContact O-CG 3.43Å; L187-L191 PolarHBondContact O-N 3.21Å; L187-E234 WeakPolarHBondContact CD2-OE2 3.32Å
188L97.8Very high98.1Very high57 Ų5739.4 Ų39.430%0.29822%0.224SC..Hα-helixtrans-62.3-35.1-179.5-176.461.5000112.2I150 A153 V154 I157 A184 L185 L186 P192I150-L188 HydrophobicContact CG2-CD1 4.03Å; A153-L188 HydrophobicContact CB-CB 4.37Å; V154-L188 HydrophobicContact CG2-CD1 3.78Å; V154-L188 HydrophobicContact CG2-CD2 4.43Å; I157-L188 HydrophobicContact CD1-CD2 3.87Å; A184-L188 WeakPolarHBondContact O-CB 3.48Å; A184-L188 PolarHBondContact O-N 3.2Å; L185-L188 PolarHBondContact O-N 3.37Å; L186-L188 PolarHBondContact O-N 3.27Å; L188-P192 VanDerWaalsContact O-CD 3.3Å; L188-P192 WeakPolarHBondContact O-CD 3.39Å; L188-P192 WeakPolarHBondContact O-CG 3.3Å
189L97.9Very high98.1Very high127 Ų12738 Ų3867%0.66523%0.226SC*.Hα-helixtrans-85.2-31.3-179.2-65.7174.7000113.3L185 L186 L187L185-L189 WeakPolarHBondContact O-CG 3.29Å; L185-L189 PolarHBondContact O-N 2.82Å; L185-L189 VanDerWaalsContact O-N 3.16Å; L186-L189 PolarHBondContact O-N 2.91Å; L187-L189 VanDerWaalsContact C-N 3.26Å; L187-L189 PolarHBondContact O-N 3.08Å
190S97.2Very high98.1Very high2 Ų237.4 Ų37.41%0.01422%0.217CC..Hα-helixtrans-93-42.3-172.360.20000113.7L186 L187 P192 V193 L194L186-S190 WeakPolarHBondContact O-CB 3.26Å; L186-S190 PolarHBondContact O-N 3.3Å; L186-S190 PolarHBondContact O-OG 3.33Å; L187-S190 PolarHBondContact O-N 2.57Å; S190-P192 VanDerWaalsContact C-CD 3.45Å; S190-V193 WeakPolarHBondContact O-CB 3.33Å; S190-V193 PolarHBondContact O-N 3.46Å; S190-L194 PolarHBondContact O-N 3.18Å
191L97.3Very high98.2Very high6 Ų637.3 Ų37.33%0.03122%0.217CC..Hα-helixtrans-59.6-35.5-176-73.5169.2000114.7S149 I150 L187 V193 L194 A195 F230S149-L191 VanDerWaalsContact CB-CD1 3.48Å; I150-L191 HydrophobicContact CD1-CB 3.93Å; I150-L191 HydrophobicContact CG1-CB 3.88Å; I150-L191 HydrophobicContact CG1-CD1 3.8Å; L187-L191 HydrophobicContact CB-CD1 3.96Å; L187-L191 HydrophobicContact CD2-CD1 4.16Å; L187-L191 HydrophobicContact CD2-CG 4.45Å; L187-L191 VanDerWaalsContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CB 3.48Å; L187-L191 WeakPolarHBondContact O-CG 3.43Å; L187-L191 PolarHBondContact O-N 3.21Å; L191-V193 PolarHBondContact O-N 2.6Å; L191-L194 HydrophobicContact CD2-CD2 4.49Å; L191-L194 PolarHBondContact O-N 3.26Å; L191-A195 WeakPolarHBondContact O-CB 3.49Å; L191-A195 PolarHBondContact O-N 2.82Å; L191-F230 HydrophobicContact CD2-CD2 4.03Å; L191-F230 HydrophobicContact CD2-CE2 3.45Å; L191-F230 VanDerWaalsContact CD2-CE2 3.45Å; L191-F230 HydrophobicContact CD2-CZ 4.23Å; L191-F230 HydrophobicContact CG-CE2 4.23Å
192P98.3Very high98.2Very high68 Ų6838 Ų3844%0.44222%0.22SC..Hα-helixtrans-59.2-31.8174.2-26.536.5000113.4I150 L188 S190 G196I150-P192 HydrophobicContact CD1-CG 4.49Å; L188-P192 VanDerWaalsContact O-CD 3.3Å; L188-P192 WeakPolarHBondContact O-CD 3.39Å; L188-P192 WeakPolarHBondContact O-CG 3.3Å; S190-P192 VanDerWaalsContact C-CD 3.45Å; P192-G196 PolarHBondContact O-N 3.34Å
193V98.4Very high98.2Very high37 Ų3735 Ų3522%0.22421%0.206CC..Hα-helixtrans-71.7-43178.5-176.80000110.8S190 L191 G196 A197 L226 F229S190-V193 WeakPolarHBondContact O-CB 3.33Å; S190-V193 PolarHBondContact O-N 3.46Å; L191-V193 PolarHBondContact O-N 2.6Å; V193-G196 PolarHBondContact O-N 3.06Å; V193-A197 PolarHBondContact O-N 3.43Å; V193-L226 HydrophobicContact CG1-CB 4.22Å; V193-L226 HydrophobicContact CG1-CD2 3.89Å; V193-F229 HydrophobicContact CB-CD1 3.83Å; V193-F229 HydrophobicContact CB-CE1 4.35Å; V193-F229 HydrophobicContact CG1-CB 4.22Å; V193-F229 HydrophobicContact CG1-CD1 3.81Å; V193-F229 HydrophobicContact CG1-CG 4.26Å; V193-F229 HydrophobicContact CG2-CD1 3.6Å; V193-F229 HydrophobicContact CG2-CE1 3.62Å
194L97.9Very high98.2Very high7 Ų734.1 Ų34.14%0.03720%0.199CC..Hα-helixtrans-58.1-51.8171.317768.1000110.8S190 L191 G196 A197 I198 F227 F230S190-L194 PolarHBondContact O-N 3.18Å; L191-L194 HydrophobicContact CD2-CD2 4.49Å; L191-L194 PolarHBondContact O-N 3.26Å; L194-G196 PolarHBondContact O-N 2.91Å; L194-A197 WeakPolarHBondContact O-CA 3.44Å; L194-A197 WeakPolarHBondContact O-CB 3.34Å; L194-A197 PolarHBondContact O-N 2.87Å; L194-I198 HydrophobicContact CD1-CG2 4.01Å; L194-I198 WeakPolarHBondContact O-CG1 3.34Å; L194-I198 PolarHBondContact O-N 2.91Å; L194-F227 HydrophobicContact CD1-CD2 3.96Å; L194-F227 HydrophobicContact CD1-CE2 4.19Å; L194-F230 HydrophobicContact CB-CB 3.87Å; L194-F230 HydrophobicContact CB-CD1 3.86Å; L194-F230 HydrophobicContact CB-CD2 4.04Å; L194-F230 HydrophobicContact CB-CE1 4.48Å; L194-F230 HydrophobicContact CB-CG 3.61Å; L194-F230 HydrophobicContact CD1-CD1 3.82Å; L194-F230 HydrophobicContact CD1-CE1 4.21Å; L194-F230 HydrophobicContact CD1-CG 4.44Å; L194-F230 HydrophobicContact CD2-CD1 3.83Å; L194-F230 HydrophobicContact CD2-CD2 4.37Å; L194-F230 HydrophobicContact CD2-CE1 3.61Å; L194-F230 HydrophobicContact CD2-CE2 4.18Å; L194-F230 HydrophobicContact CD2-CG 4.21Å; L194-F230 HydrophobicContact CD2-CZ 3.79Å; L194-F230 HydrophobicContact CG-CD1 4.03Å; L194-F230 HydrophobicContact CG-CE1 4.3Å; L194-F230 HydrophobicContact CG-CG 4.29Å
195A98.3Very high98.2Very high32 Ų3235.5 Ų35.526%0.26420%0.204SC..Hα-helixtrans-55.4-41.9-179.400000111.6L191 T199L191-A195 WeakPolarHBondContact O-CB 3.49Å; L191-A195 PolarHBondContact O-N 2.82Å; A195-T199 VanDerWaalsContact O-CB 3.25Å; A195-T199 WeakPolarHBondContact O-CB 3.49Å; A195-T199 PolarHBondContact O-N 3.43Å; A195-T199 PolarHBondContact O-OG1 3.47Å
196G98.6Very high98.1Very high29 Ų2935.6 Ų35.630%0.29921%0.205SC..Hα-helixtrans-60.1-48.3172.100000112.8P192 V193 L194 T199 M200P192-G196 PolarHBondContact O-N 3.34Å; V193-G196 PolarHBondContact O-N 3.06Å; L194-G196 PolarHBondContact O-N 2.91Å; G196-T199 PolarHBondContact O-N 3.46Å; G196-M200 WeakPolarHBondContact O-CE 3.28Å; G196-M200 WeakPolarHBondContact O-CG 3.17Å; G196-M200 PolarHBondContact O-N 2.61Å
197A98.6Very high98.1Very high0 Ų037.6 Ų37.60%022%0.216CC..Hα-helixtrans-58.9-49.8179.400000112.7V193 L194 T199 M200 L201 Y223 L226V193-A197 PolarHBondContact O-N 3.43Å; L194-A197 WeakPolarHBondContact O-CA 3.44Å; L194-A197 WeakPolarHBondContact O-CB 3.34Å; L194-A197 PolarHBondContact O-N 2.87Å; A197-T199 VanDerWaalsContact C-N 3.34Å; A197-M200 PolarHBondContact O-N 3.5Å; A197-L201 PolarHBondContact O-N 3.28Å; A197-Y223 HydrophobicContact CB-CE2 4.35Å; A197-L226 HydrophobicContact CB-CB 3.71Å; A197-L226 HydrophobicContact CB-CD1 4.08Å
198I98.6Very high98.1Very high2 Ų245 Ų451%0.0126%0.255CS..Hα-helixtrans-74-25.3-17963.7173.5000112.3I139 L142 H143 L194 L202I139-I198 HydrophobicContact CG1-CB 4.38Å; I139-I198 HydrophobicContact CG2-CB 4.08Å; I139-I198 HydrophobicContact CG2-CD1 4.29Å; I139-I198 HydrophobicContact CG2-CG1 4.27Å; L142-I198 HydrophobicContact CB-CD1 3.85Å; H143-I198 VanDerWaalsContact CE1-CD1 3.47Å; H143-I198 WeakPolarHBondContact CE1-CD1 3.36Å; H143-I198 VanDerWaalsContact CE1-CG1 3.4Å; H143-I198 WeakPolarHBondContact CE1-CG1 3.48Å; H143-I198 WeakPolarHBondContact ND1-CD1 3.23Å; L194-I198 HydrophobicContact CD1-CG2 4.01Å; L194-I198 WeakPolarHBondContact O-CG1 3.34Å; L194-I198 PolarHBondContact O-N 2.91Å; I198-L202 WeakPolarHBondContact O-CB 3.26Å; I198-L202 PolarHBondContact O-N 3.32Å
199T98.7Very high98.1Very high60 Ų6044.6 Ų44.637%0.36826%0.256SS..Hα-helixtrans-69-46.8169.3-62.40000111.1H143 A195 G196 A197 L201 L202 T203H143-T199 PolarHBondContact NE2-OG1 2.8Å; A195-T199 VanDerWaalsContact O-CB 3.25Å; A195-T199 WeakPolarHBondContact O-CB 3.49Å; A195-T199 PolarHBondContact O-N 3.43Å; A195-T199 PolarHBondContact O-OG1 3.47Å; G196-T199 PolarHBondContact O-N 3.46Å; A197-T199 VanDerWaalsContact C-N 3.34Å; T199-L201 PolarHBondContact O-N 2.96Å; T199-L202 WeakPolarHBondContact O-CB 3.4Å; T199-L202 PolarHBondContact O-N 2.94Å; T199-L202 VanDerWaalsContact O-N 3.08Å; T199-T203 WeakPolarHBondContact O-CG2 3.22Å; T199-T203 PolarHBondContact O-N 3.12Å
200M98.7Very high98.1Very high43 Ų4341 Ų4121%0.21224%0.241CC..Hα-helixtrans-58.2-38.4175-75.7-177.2-77.600111.3G196 A197 T203 D204 F211 F212 L226G196-M200 WeakPolarHBondContact O-CE 3.28Å; G196-M200 WeakPolarHBondContact O-CG 3.17Å; G196-M200 PolarHBondContact O-N 2.61Å; A197-M200 PolarHBondContact O-N 3.5Å; M200-T203 PolarHBondContact O-N 3.37Å; M200-T203 PolarHBondContact O-OG1 3.03Å; M200-D204 PolarHBondContact O-N 3.08Å; M200-F211 HydrophobicContact CB-CB 4.18Å; M200-F211 HydrophobicContact CB-CD2 3.76Å; M200-F211 HydrophobicContact CB-CE2 4.28Å; M200-F211 HydrophobicContact CB-CG 3.92Å; M200-F211 HydrophobicContact CG-CD1 4.07Å; M200-F211 HydrophobicContact CG-CD2 3.83Å; M200-F211 HydrophobicContact CG-CE1 4.15Å; M200-F211 HydrophobicContact CG-CE2 3.92Å; M200-F211 HydrophobicContact CG-CG 3.91Å; M200-F211 HydrophobicContact CG-CZ 4.09Å; M200-F211 HydrophobicContact SD-CB 4.47Å; M200-F211 HydrophobicContact SD-CD1 3.6Å; M200-F211 HydrophobicContact SD-CD2 4.44Å; M200-F211 HydrophobicContact SD-CE1 3.85Å; M200-F211 HydrophobicContact SD-CG 3.93Å; M200-F211 HydrophobicContact SD-CZ 4.38Å; M200-F212 HydrophobicContact CB-CE2 3.61Å; M200-F212 HydrophobicContact CB-CZ 3.73Å; M200-F212 HydrophobicContact CE-CZ 4.31Å; M200-F212 HydrophobicContact SD-CZ 4.47Å; M200-L226 HydrophobicContact CE-CD1 3.34Å
201L98.6Very high98.2Very high1 Ų145.1 Ų45.11%0.00526%0.259CS..Hα-helixtrans-66.5-42.3175.4178.162.8000111.1V120 P122 S125 I139 A197 T199 T203 D204 R205 F212 Y223V120-L201 HydrophobicContact CG1-CD2 3.81Å; P122-L201 HydrophobicContact CB-CD1 4.12Å; P122-L201 HydrophobicContact CG-CD1 4.45Å; S125-L201 WeakPolarHBondContact OG-CD2 3.42Å; I139-L201 HydrophobicContact CD1-CD2 4Å; I139-L201 HydrophobicContact CD1-CG 4.14Å; A197-L201 PolarHBondContact O-N 3.28Å; T199-L201 PolarHBondContact O-N 2.96Å; L201-T203 VanDerWaalsContact C-N 3.28Å; L201-T203 PolarHBondContact O-N 2.97Å; L201-D204 PolarHBondContact O-N 3.27Å; L201-R205 HydrophobicContact CD1-CG 4.4Å; L201-R205 WeakPolarHBondContact O-CB 3.34Å; L201-R205 VanDerWaalsContact O-CG 3.22Å; L201-R205 WeakPolarHBondContact O-CG 3.42Å; L201-R205 PolarHBondContact O-N 3.4Å; 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 4.16Å; L201-Y223 HydrophobicContact CD2-CE2 3.93Å
202L98.6Very high98.2Very high28 Ų2845 Ų4515%0.14726%0.258CS..Hα-helixtrans-60.6-38.9176.3-171.869.3000111.7D136 I139 F140 I198 T199 R205 N206D136-L202 HydrophobicContact CB-CD1 3.9Å; D136-L202 VanDerWaalsContact OD1-CD1 3.26Å; D136-L202 WeakPolarHBondContact OD1-CD1 3.42Å; I139-L202 HydrophobicContact CD1-CB 4.3Å; I139-L202 HydrophobicContact CD1-CD1 4.27Å; I139-L202 HydrophobicContact CG2-CB 4.26Å; I139-L202 HydrophobicContact CG2-CD1 4.34Å; I139-L202 HydrophobicContact CG2-CD2 4.41Å; F140-L202 HydrophobicContact CE1-CD2 3.85Å; F140-L202 HydrophobicContact CZ-CD1 4.47Å; F140-L202 HydrophobicContact CZ-CD2 3.82Å; I198-L202 WeakPolarHBondContact O-CB 3.26Å; I198-L202 PolarHBondContact O-N 3.32Å; T199-L202 WeakPolarHBondContact O-CB 3.4Å; T199-L202 PolarHBondContact O-N 2.94Å; T199-L202 VanDerWaalsContact O-N 3.08Å; L202-R205 PolarHBondContact O-N 2.96Å; L202-N206 WeakPolarHBondContact CD1-ND2 3.36Å; L202-N206 WeakPolarHBondContact O-CB 3.32Å; L202-N206 PolarHBondContact O-N 3.31Å; L202-N206 PolarHBondContact O-ND2 3.49Å
203T98.4Very high98.2Very high27 Ų2744.7 Ų44.717%0.16625%0.252CS..Hα-helixtrans-73-36176.662.90000112.4T199 M200 L201 R205 N206 L207 N208 T209T199-T203 WeakPolarHBondContact O-CG2 3.22Å; T199-T203 PolarHBondContact O-N 3.12Å; M200-T203 PolarHBondContact O-N 3.37Å; M200-T203 PolarHBondContact O-OG1 3.03Å; L201-T203 VanDerWaalsContact C-N 3.28Å; L201-T203 PolarHBondContact O-N 2.97Å; T203-R205 PolarHBondContact O-N 2.78Å; T203-N206 PolarHBondContact O-N 2.91Å; T203-L207 HydrophobicContact CG2-CD1 3.86Å; T203-L207 CarbonylContact O-C 3.58Å; T203-L207 WeakPolarHBondContact O-CA 3.35Å; T203-L207 WeakPolarHBondContact O-CB 3.22Å; T203-L207 PolarHBondContact O-N 3.37Å; T203-N208 PolarHBondContact O-N 2.92Å; T203-T209 WeakPolarHBondContact CB-OG1 3.39Å; T203-T209 PolarHBondContact O-OG1 3.01Å; T203-T209 PolarHBondContact OG1-OG1 3.39Å
204D98.3Very high98.1Very high26 Ų2646.8 Ų46.814%0.13927%0.267CS..Hα-helixtrans-62.9-36.7173.4-82.611000110.7M200 L201 T209 S210 F211 F212M200-D204 PolarHBondContact O-N 3.08Å; L201-D204 PolarHBondContact O-N 3.27Å; D204-T209 WeakPolarHBondContact CA-OG1 3.32Å; D204-T209 PolarHBondContact N-OG1 3.19Å; D204-T209 WeakPolarHBondContact OD1-CB 3.48Å; D204-T209 PolarHBondContact OD1-OG1 2.89Å; D204-S210 PolarHBondContact OD1-N 3.48Å; D204-S210 VanDerWaalsContact OD1-N 3.13Å; D204-F211 VanDerWaalsContact CG-N 3.33Å; D204-F211 WeakPolarHBondContact OD1-CD2 3.44Å; D204-F211 PolarHBondContact OD1-N 3.07Å; D204-F211 PolarHBondContact OD2-N 3.48Å; D204-F212 PolarHBondContact OD2-N 3.4Å
205R97.8Very high98Very high29 Ų2951 Ų5111%0.10930%0.303CS..Hα-helixtrans-71.3-38.8177.4-70.9171.758.16615.4113.7S125 H130 G132 D136 L201 L202 T203S125-R205 WeakPolarHBondContact O-CD 3.5Å; S125-R205 PolarHBondContact O-NH1 3.08Å; H130-R205 PolarHBondContact O-NH1 3.12Å; H130-R205 PolarHBondContact O-NH2 2.92Å; G132-R205 PolarHBondContact O-NH2 3.45Å; D136-R205 IonicContact OD1-CZ 3.51Å; D136-R205 IonicContact OD1-NE 2.75Å; D136-R205 PolarHBondContact OD1-NE 2.75Å; D136-R205 IonicContact OD1-NH2 3.39Å; D136-R205 PolarHBondContact OD1-NH2 2.89Å; D136-R205 IonicContact OD2-CZ 3.87Å; D136-R205 IonicContact OD2-NE 3.84Å; D136-R205 IonicContact OD2-NH2 3Å; D136-R205 PolarHBondContact OD2-NH2 3.19Å; L201-R205 HydrophobicContact CD1-CG 4.4Å; L201-R205 WeakPolarHBondContact O-CB 3.34Å; L201-R205 VanDerWaalsContact O-CG 3.22Å; L201-R205 WeakPolarHBondContact O-CG 3.42Å; L201-R205 PolarHBondContact O-N 3.4Å; L202-R205 PolarHBondContact O-N 2.96Å; T203-R205 PolarHBondContact O-N 2.78Å
206N98.2Very high97.8Very high85 Ų8551.5 Ų51.546%0.45531%0.311SS..Hα-helixtrans-120.5-20.5-163.8-64.4-79.7000115.2D136 L202 T203D136-N206 PolarHBondContact OD1-ND2 3.1Å; L202-N206 WeakPolarHBondContact CD1-ND2 3.36Å; L202-N206 WeakPolarHBondContact O-CB 3.32Å; L202-N206 PolarHBondContact O-N 3.31Å; L202-N206 PolarHBondContact O-ND2 3.49Å; T203-N206 PolarHBondContact O-N 2.91Å
207L97.8Very high97.8Very high120 Ų12053.6 Ų53.663%0.62833%0.333SS*.SBendtrans-121.214.7-171.6-58.1-176.9000113.2T203 T209T203-L207 HydrophobicContact CG2-CD1 3.86Å; T203-L207 CarbonylContact O-C 3.58Å; T203-L207 WeakPolarHBondContact O-CA 3.35Å; T203-L207 WeakPolarHBondContact O-CB 3.22Å; T203-L207 PolarHBondContact O-N 3.37Å; L207-T209 PolarHBondContact O-N 3.33Å
208N96.2Very high97.7Very high159 Ų15954.3 Ų54.385%0.8534%0.34SS*.  trans5532.8179.5-55.5-56.2000113.7T203T203-N208 PolarHBondContact O-N 2.92Å
209T98.1Very high97.7Very high49 Ų4957.8 Ų57.830%0.30136%0.359SS..  trans-79.6168.7165.4630000110.2T203 D204 L207 F211T203-T209 WeakPolarHBondContact CB-OG1 3.39Å; T203-T209 PolarHBondContact O-OG1 3.01Å; T203-T209 PolarHBondContact OG1-OG1 3.39Å; D204-T209 WeakPolarHBondContact CA-OG1 3.32Å; D204-T209 PolarHBondContact N-OG1 3.19Å; D204-T209 WeakPolarHBondContact OD1-CB 3.48Å; D204-T209 PolarHBondContact OD1-OG1 2.89Å; L207-T209 PolarHBondContact O-N 3.33Å; T209-F211 HydrophobicContact CG2-CE2 4.22Å
210S97.7Very high97.7Very high50 Ų5056.1 Ų56.135%0.3535%0.349SS..  trans-138.748.4-177.558.30000112.4D204 F212 G216 G218D204-S210 PolarHBondContact OD1-N 3.48Å; D204-S210 VanDerWaalsContact OD1-N 3.13Å; S210-F212 VanDerWaalsContact C-N 3.34Å; S210-G216 PolarHBondContact OG-O 3.13Å; S210-G216 VanDerWaalsContact OG-O 3.07Å; S210-G218 WeakPolarHBondContact O-CA 3.48Å; S210-G218 PolarHBondContact O-N 3.39Å
211F98.5Very high97.7Very high90 Ų9058.2 Ų58.240%0.39536%0.36SS..SBendtrans-63.8-40.6176.9-71.5-76.8000112.1M200 D204 T209 G218 D219M200-F211 HydrophobicContact CB-CB 4.18Å; M200-F211 HydrophobicContact CB-CD2 3.76Å; M200-F211 HydrophobicContact CB-CE2 4.28Å; M200-F211 HydrophobicContact CB-CG 3.92Å; M200-F211 HydrophobicContact CG-CD1 4.07Å; M200-F211 HydrophobicContact CG-CD2 3.83Å; M200-F211 HydrophobicContact CG-CE1 4.15Å; M200-F211 HydrophobicContact CG-CE2 3.92Å; M200-F211 HydrophobicContact CG-CG 3.91Å; M200-F211 HydrophobicContact CG-CZ 4.09Å; M200-F211 HydrophobicContact SD-CB 4.47Å; M200-F211 HydrophobicContact SD-CD1 3.6Å; M200-F211 HydrophobicContact SD-CD2 4.44Å; M200-F211 HydrophobicContact SD-CE1 3.85Å; M200-F211 HydrophobicContact SD-CG 3.93Å; M200-F211 HydrophobicContact SD-CZ 4.38Å; D204-F211 VanDerWaalsContact CG-N 3.33Å; D204-F211 WeakPolarHBondContact OD1-CD2 3.44Å; D204-F211 PolarHBondContact OD1-N 3.07Å; D204-F211 PolarHBondContact OD2-N 3.48Å; T209-F211 HydrophobicContact CG2-CE2 4.22Å; F211-G218 WeakPolarHBondContact O-CA 3.48Å; F211-D219 PolarHBondContact O-N 3.07Å; F211-D219 VanDerWaalsContact O-N 3.12Å
212F98.4Very high97.7Very high3 Ų361.5 Ų61.51%0.01338%0.377CS..SBendtrans-117.8-2.6-173.9-50.1-56.4000113.6P122 M200 L201 D204 S210 P214 P220 L222 Y223 L226P122-F212 HydrophobicContact CB-CB 3.93Å; P122-F212 HydrophobicContact CG-CB 3.57Å; P122-F212 HydrophobicContact CG-CD2 4.1Å; P122-F212 HydrophobicContact CG-CG 3.85Å; M200-F212 HydrophobicContact CB-CE2 3.61Å; M200-F212 HydrophobicContact CB-CZ 3.73Å; M200-F212 HydrophobicContact CE-CZ 4.31Å; M200-F212 HydrophobicContact SD-CZ 4.47Å; 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 3.4Å; S210-F212 VanDerWaalsContact C-N 3.34Å; F212-P214 WeakPolarHBondContact O-CD 3.35Å; F212-P220 VanDerWaalsContact O-CD 3.23Å; F212-P220 WeakPolarHBondContact O-CD 3.41Å; F212-P220 VanDerWaalsContact O-CG 3.28Å; F212-P220 WeakPolarHBondContact O-CG 3.08Å; F212-L222 HydrophobicContact CD1-CB 4.38Å; F212-L222 HydrophobicContact CE1-CB 4.28Å; F212-L222 HydrophobicContact CE1-CD2 4.15Å; F212-L222 HydrophobicContact CE1-CG 4.07Å; F212-Y223 HydrophobicContact CD2-CD2 4.08Å; F212-Y223 HydrophobicContact CE1-CD2 4.19Å; F212-Y223 HydrophobicContact CE1-CG 4.44Å; F212-Y223 AromaticContact CE2-CD2 3.65Å; F212-Y223 HydrophobicContact CE2-CD2 3.65Å; F212-Y223 HydrophobicContact CE2-CE2 4.45Å; F212-Y223 AromaticContact CZ-CD2 3.71Å; F212-Y223 HydrophobicContact CZ-CD2 3.71Å; F212-Y223 HydrophobicContact CZ-CG 4.39Å; F212-L226 HydrophobicContact CE1-CD1 4.29Å; F212-L226 HydrophobicContact CZ-CD1 4.31Å
213D97.3Very high97.7Very high61 Ų6160.2 Ų60.233%0.32637%0.37SS..  trans-89.1112.7178-178.75.2000111.6A215 G216 G217 G218D213-A215 PolarHBondContact O-N 3.19Å; D213-A215 WeakPolarHBondContact OD1-CB 3.3Å; D213-A215 PolarHBondContact OD1-N 3.36Å; D213-G216 CarbonylContact O-C 3.52Å; D213-G216 PolarHBondContact O-N 3.04Å; D213-G217 PolarHBondContact O-N 2.84Å; D213-G218 WeakPolarHBondContact O-CA 3.29Å; D213-G218 PolarHBondContact O-N 3.29Å
214P96.8Very high97.7Very high82 Ų8262.6 Ų62.653%0.53238%0.38SS..G310 helixtrans-57.8-29176.8-24.535.3000114.5F212 G216 G217 G218 P220F212-P214 WeakPolarHBondContact O-CD 3.35Å; P214-G216 PolarHBondContact O-N 2.95Å; P214-G217 PolarHBondContact O-N 2.93Å; P214-G217 VanDerWaalsContact O-N 3.13Å; P214-G218 WeakPolarHBondContact CA-O 3.41Å; P214-P220 HydrophobicContact CG-CG 4Å
215A95.6Very high97.7Very high95 Ų9567.5 Ų67.579%0.78540%0.401SS*.G310 helixtrans-66.7-27.8178.500000112.3D213D213-A215 PolarHBondContact O-N 3.19Å; D213-A215 WeakPolarHBondContact OD1-CB 3.3Å; D213-A215 PolarHBondContact OD1-N 3.36Å
216G95.6Very high97.7Very high43 Ų4367.9 Ų67.944%0.44341%0.405SS..G310 helixtrans-99.411.3173.400000114.2S210 D213 P214S210-G216 PolarHBondContact OG-O 3.13Å; S210-G216 VanDerWaalsContact OG-O 3.07Å; D213-G216 CarbonylContact O-C 3.52Å; D213-G216 PolarHBondContact O-N 3.04Å; P214-G216 PolarHBondContact O-N 2.95Å
217G97.1Very high97.7Very high73 Ų7364 Ų6475%0.75339%0.385SS*.THydrogen-bonded Turntrans85.18.3-18000000115.7D213 P214D213-G217 PolarHBondContact O-N 2.84Å; P214-G217 PolarHBondContact O-N 2.93Å; P214-G217 VanDerWaalsContact O-N 3.13Å
218G97.9Very high97.7Very high15 Ų1563.6 Ų63.616%0.15538%0.375CS..  trans-78173.1173.700000113.5S210 F211 D213 P214S210-G218 WeakPolarHBondContact O-CA 3.48Å; S210-G218 PolarHBondContact O-N 3.39Å; F211-G218 WeakPolarHBondContact O-CA 3.48Å; D213-G218 WeakPolarHBondContact O-CA 3.29Å; D213-G218 PolarHBondContact O-N 3.29Å; P214-G218 WeakPolarHBondContact CA-O 3.41Å
219D98.3Very high97.8Very high75 Ų7562 Ų6240%0.40136%0.361SS..  trans-135.2113.5-179.6-174.90.9000111.7F211 I221 L222F211-D219 PolarHBondContact O-N 3.07Å; F211-D219 VanDerWaalsContact O-N 3.12Å; D219-I221 PolarHBondContact O-N 3.04Å; D219-I221 VanDerWaalsContact O-N 3.15Å; D219-I221 VanDerWaalsContact OD1-CB 3.27Å; D219-I221 WeakPolarHBondContact OD1-CB 3.48Å; D219-I221 WeakPolarHBondContact OD1-CG1 3.26Å; D219-I221 PolarHBondContact OD1-N 2.87Å; D219-L222 HydrophobicContact CB-CB 4.33Å; D219-L222 VanDerWaalsContact O-CB 3.22Å; D219-L222 WeakPolarHBondContact O-CB 3.45Å; D219-L222 PolarHBondContact O-N 3.23Å
220P97.6Very high97.8Very high25 Ų2559.8 Ų59.816%0.16235%0.347CS..Hα-helixtrans-57.1-24.7172.7-24.332.4000114.2F212 P214 L222 Y223 Q224F212-P220 VanDerWaalsContact O-CD 3.23Å; F212-P220 WeakPolarHBondContact O-CD 3.41Å; F212-P220 VanDerWaalsContact O-CG 3.28Å; F212-P220 WeakPolarHBondContact O-CG 3.08Å; P214-P220 HydrophobicContact CG-CG 4Å; P220-L222 VanDerWaalsContact C-N 3.32Å; P220-Y223 WeakPolarHBondContact O-CB 3.33Å; P220-Y223 PolarHBondContact O-N 3.05Å; P220-Q224 PolarHBondContact O-N 2.86Å
221I98.5Very high97.6Very high86 Ų8657.4 Ų57.444%0.44133%0.33SS..Hα-helixtrans-70.6-30.7176.9-56.9175.4000110.6D219 Y223 Q224 H225D219-I221 PolarHBondContact O-N 3.04Å; D219-I221 VanDerWaalsContact O-N 3.15Å; D219-I221 VanDerWaalsContact OD1-CB 3.27Å; D219-I221 WeakPolarHBondContact OD1-CB 3.48Å; D219-I221 WeakPolarHBondContact OD1-CG1 3.26Å; D219-I221 PolarHBondContact OD1-N 2.87Å; I221-Y223 PolarHBondContact O-N 3.13Å; I221-Q224 WeakPolarHBondContact O-CB 3.29Å; I221-Q224 PolarHBondContact O-N 2.58Å; I221-H225 PolarHBondContact O-CD2 2.79Å; I221-H225 VanDerWaalsContact O-CD2 3.28Å; I221-H225 PolarHBondContact O-N 2.96Å
222L98.6Very high97.4Very high71 Ų7159.8 Ų59.837%0.37234%0.342SS..Hα-helixtrans-56.6-42.6171.4177.162.3000110.8F212 D219 P220 Q224 H225 L226F212-L222 HydrophobicContact CD1-CB 4.38Å; F212-L222 HydrophobicContact CE1-CB 4.28Å; F212-L222 HydrophobicContact CE1-CD2 4.15Å; F212-L222 HydrophobicContact CE1-CG 4.07Å; D219-L222 HydrophobicContact CB-CB 4.33Å; D219-L222 VanDerWaalsContact O-CB 3.22Å; D219-L222 WeakPolarHBondContact O-CB 3.45Å; D219-L222 PolarHBondContact O-N 3.23Å; P220-L222 VanDerWaalsContact C-N 3.32Å; L222-Q224 VanDerWaalsContact C-N 3.31Å; L222-Q224 PolarHBondContact O-N 3.4Å; L222-H225 PolarHBondContact O-N 3.45Å; L222-L226 HydrophobicContact CD1-CD1 4.27Å; L222-L226 HydrophobicContact CD1-CG 4.26Å; L222-L226 HydrophobicContact CG-CD1 4.06Å; L222-L226 HydrophobicContact CG-CG 4.48Å; L222-L226 WeakPolarHBondContact O-CG 3.32Å; L222-L226 PolarHBondContact O-N 3.37Å
223Y98.6Very high97.2Very high0 Ų061.9 Ų61.90%036%0.356CS..Hα-helixtrans-58.3-45.3175.3-174-77.6000110.9T119 Y121 P122 A197 L201 F212 P220 I221 H225 L226 F227T119-Y223 WeakPolarHBondContact O-CE1 3.07Å; T119-Y223 PolarHBondContact O-OH 3.42Å; Y121-Y223 AromaticContact CD1-CD1 3.5Å; Y121-Y223 HydrophobicContact CD1-CD1 3.5Å; Y121-Y223 VanDerWaalsContact CD1-CD1 3.5Å; Y121-Y223 AromaticContact CD1-CE1 3.64Å; Y121-Y223 HydrophobicContact CD1-CE1 3.64Å; Y121-Y223 AromaticContact CE1-CD1 3.93Å; Y121-Y223 HydrophobicContact CE1-CD1 3.93Å; Y121-Y223 HydrophobicContact CE1-CE1 4.06Å; P122-Y223 VanDerWaalsContact CD-CG 3.43Å; P122-Y223 HydrophobicContact CG-CD2 4.02Å; P122-Y223 HydrophobicContact CG-CG 3.89Å; A197-Y223 HydrophobicContact CB-CE2 4.35Å; L201-Y223 HydrophobicContact CB-CE2 4.16Å; L201-Y223 HydrophobicContact CD2-CE2 3.93Å; F212-Y223 HydrophobicContact CD2-CD2 4.08Å; F212-Y223 HydrophobicContact CE1-CD2 4.19Å; F212-Y223 HydrophobicContact CE1-CG 4.44Å; F212-Y223 AromaticContact CE2-CD2 3.65Å; F212-Y223 HydrophobicContact CE2-CD2 3.65Å; F212-Y223 HydrophobicContact CE2-CE2 4.45Å; F212-Y223 AromaticContact CZ-CD2 3.71Å; F212-Y223 HydrophobicContact CZ-CD2 3.71Å; F212-Y223 HydrophobicContact CZ-CG 4.39Å; P220-Y223 WeakPolarHBondContact O-CB 3.33Å; P220-Y223 PolarHBondContact O-N 3.05Å; I221-Y223 PolarHBondContact O-N 3.13Å; Y223-H225 VanDerWaalsContact C-N 3.32Å; Y223-H225 PolarHBondContact O-N 3.45Å; Y223-L226 PolarHBondContact O-N 2.89Å; Y223-F227 HydrophobicContact CD1-CB 4.13Å; Y223-F227 HydrophobicContact CE1-CB 3.82Å; Y223-F227 HydrophobicContact CE1-CD2 4.01Å; Y223-F227 HydrophobicContact CE1-CG 4.17Å; Y223-F227 VanDerWaalsContact O-CB 3.27Å; Y223-F227 WeakPolarHBondContact O-CB 3.34Å; Y223-F227 PolarHBondContact O-N 3.48Å
224Q98.4Very high96.9Very high77 Ų7760.3 Ų60.336%0.3635%0.347SS..Hα-helixtrans-60.6-42.2179-58.4-174.129.700111.8Y121 P220 I221 L222 F227 W228Y121-Q224 HydrophobicContact CD1-CG 4.19Å; Y121-Q224 HydrophobicContact CE1-CB 4.33Å; Y121-Q224 HydrophobicContact CE1-CG 3.76Å; Y121-Q224 HydrophobicContact CE2-CG 4.36Å; P220-Q224 PolarHBondContact O-N 2.86Å; I221-Q224 WeakPolarHBondContact O-CB 3.29Å; I221-Q224 PolarHBondContact O-N 2.58Å; L222-Q224 VanDerWaalsContact C-N 3.31Å; L222-Q224 PolarHBondContact O-N 3.4Å; Q224-F227 PolarHBondContact O-N 3.14Å; Q224-W228 WeakPolarHBondContact O-CB 3.49Å; Q224-W228 PolarHBondContact O-N 3.11Å
225H98.5Very high96.2Very high129 Ų12963.4 Ų63.460%0.59736%0.364SS*.Hα-helixtrans-61-47.5176.1-76.6-60.4000112.2I221 L222 Y223 F229I221-H225 PolarHBondContact O-CD2 2.79Å; I221-H225 VanDerWaalsContact O-CD2 3.28Å; I221-H225 PolarHBondContact O-N 2.96Å; L222-H225 PolarHBondContact O-N 3.45Å; Y223-H225 VanDerWaalsContact C-N 3.32Å; Y223-H225 PolarHBondContact O-N 3.45Å; H225-F229 VanDerWaalsContact O-CB 3.26Å; H225-F229 WeakPolarHBondContact O-CB 3.36Å; H225-F229 PolarHBondContact O-N 3.39Å
226L98.4Very high96.3Very high37 Ų3761.8 Ų61.819%0.19434%0.343CS..Hα-helixtrans-65.9-43179.5-63168.9000111.5V193 A197 M200 F212 L222 Y223 F230V193-L226 HydrophobicContact CG1-CB 4.22Å; V193-L226 HydrophobicContact CG1-CD2 3.89Å; A197-L226 HydrophobicContact CB-CB 3.71Å; A197-L226 HydrophobicContact CB-CD1 4.08Å; M200-L226 HydrophobicContact CE-CD1 3.34Å; F212-L226 HydrophobicContact CE1-CD1 4.29Å; F212-L226 HydrophobicContact CZ-CD1 4.31Å; L222-L226 HydrophobicContact CD1-CD1 4.27Å; L222-L226 HydrophobicContact CD1-CG 4.26Å; L222-L226 HydrophobicContact CG-CD1 4.06Å; L222-L226 HydrophobicContact CG-CG 4.48Å; L222-L226 WeakPolarHBondContact O-CG 3.32Å; L222-L226 PolarHBondContact O-N 3.37Å; Y223-L226 PolarHBondContact O-N 2.89Å; L226-F230 PolarHBondContact O-N 2.74Å
227F98.3Very high96.3Very high5 Ų562.8 Ų62.82%0.02234%0.337CS..Hα-helixtrans-62-48.9178-176.5-88.1000111.1W118 T119 L194 Y223 Q224 F230 G231W118-F227 HydrophobicContact CD2-CZ 4.24Å; W118-F227 AromaticContact CE3-CZ 3.77Å; W118-F227 HydrophobicContact CE3-CZ 3.77Å; W118-F227 AromaticContact CH2-CE1 3.82Å; W118-F227 HydrophobicContact CH2-CE1 3.82Å; W118-F227 AromaticContact CH2-CZ 3.76Å; W118-F227 HydrophobicContact CH2-CZ 3.76Å; W118-F227 HydrophobicContact CZ2-CE1 4.09Å; W118-F227 HydrophobicContact CZ2-CZ 4.21Å; W118-F227 HydrophobicContact CZ3-CE1 4.09Å; W118-F227 AromaticContact CZ3-CZ 3.53Å; W118-F227 HydrophobicContact CZ3-CZ 3.53Å; T119-F227 HydrophobicContact CG2-CD1 4.37Å; T119-F227 HydrophobicContact CG2-CE1 3.7Å; T119-F227 HydrophobicContact CG2-CZ 3.94Å; L194-F227 HydrophobicContact CD1-CD2 3.96Å; L194-F227 HydrophobicContact CD1-CE2 4.19Å; Y223-F227 HydrophobicContact CD1-CB 4.13Å; Y223-F227 HydrophobicContact CE1-CB 3.82Å; Y223-F227 HydrophobicContact CE1-CD2 4.01Å; Y223-F227 HydrophobicContact CE1-CG 4.17Å; Y223-F227 VanDerWaalsContact O-CB 3.27Å; Y223-F227 WeakPolarHBondContact O-CB 3.34Å; 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 3.34Å; F227-F230 PolarHBondContact O-N 3.35Å; F227-F230 VanDerWaalsContact O-N 3.17Å; F227-G231 PolarHBondContact O-N 2.92Å
228W98.3Very high96.3Very high111 Ų11162.2 Ų62.242%0.4231%0.314SS..Hα-helixtrans-78.2-21.8-177.3-73.6120.5000114.3W118 T119 Y121 Q224 F230 G231 H232W118-W228 HydrophobicContact CH2-CH2 4.43Å; W118-W228 HydrophobicContact CH2-CZ3 4.34Å; W118-W228 AromaticContact CZ2-CH2 3.82Å; W118-W228 HydrophobicContact CZ2-CH2 3.82Å; W118-W228 HydrophobicContact CZ2-CZ3 4.17Å; T119-W228 HydrophobicContact CG2-CZ2 4.34Å; Y121-W228 PolarHBondContact OH-NE1 3Å; Q224-W228 WeakPolarHBondContact O-CB 3.49Å; Q224-W228 PolarHBondContact O-N 3.11Å; W228-F230 PolarHBondContact O-N 3.29Å; W228-G231 PolarHBondContact O-N 3.23Å; W228-H232 PolarHBondContact O-N 2.84Å
229F97.9Very high96.2Very high126 Ų12665 Ų6555%0.55332%0.324SS*.Hα-helixtrans-58.1-36.6165.5-175.2-84000110.9V193 H225 P233V193-F229 HydrophobicContact CB-CD1 3.83Å; V193-F229 HydrophobicContact CB-CE1 4.35Å; V193-F229 HydrophobicContact CG1-CB 4.22Å; V193-F229 HydrophobicContact CG1-CD1 3.81Å; V193-F229 HydrophobicContact CG1-CG 4.26Å; V193-F229 HydrophobicContact CG2-CD1 3.6Å; V193-F229 HydrophobicContact CG2-CE1 3.62Å; H225-F229 VanDerWaalsContact O-CB 3.26Å; H225-F229 WeakPolarHBondContact O-CB 3.36Å; H225-F229 PolarHBondContact O-N 3.39Å; F229-P233 WeakPolarHBondContact O-CD 3.4Å; F229-P233 VanDerWaalsContact O-CG 3.26Å; F229-P233 WeakPolarHBondContact O-CG 3.48Å
230F97.1Very high96Very high1 Ų164.4 Ų64.40%0.00432%0.319CS..Hα-helixtrans-80.7-46.7170154.5-99.4000113F59 L191 L194 L226 F227 W228 H232 P233 E234F59-F230 AromaticContact CE1-CZ 3.86Å; F59-F230 HydrophobicContact CE1-CZ 3.86Å; F59-F230 HydrophobicContact CZ-CE1 4.1Å; F59-F230 AromaticContact CZ-CZ 3.8Å; F59-F230 HydrophobicContact CZ-CZ 3.8Å; L191-F230 HydrophobicContact CD2-CD2 4.03Å; L191-F230 HydrophobicContact CD2-CE2 3.45Å; L191-F230 VanDerWaalsContact CD2-CE2 3.45Å; L191-F230 HydrophobicContact CD2-CZ 4.23Å; L191-F230 HydrophobicContact CG-CE2 4.23Å; L194-F230 HydrophobicContact CB-CB 3.87Å; L194-F230 HydrophobicContact CB-CD1 3.86Å; L194-F230 HydrophobicContact CB-CD2 4.04Å; L194-F230 HydrophobicContact CB-CE1 4.48Å; L194-F230 HydrophobicContact CB-CG 3.61Å; L194-F230 HydrophobicContact CD1-CD1 3.82Å; L194-F230 HydrophobicContact CD1-CE1 4.21Å; L194-F230 HydrophobicContact CD1-CG 4.44Å; L194-F230 HydrophobicContact CD2-CD1 3.83Å; L194-F230 HydrophobicContact CD2-CD2 4.37Å; L194-F230 HydrophobicContact CD2-CE1 3.61Å; L194-F230 HydrophobicContact CD2-CE2 4.18Å; L194-F230 HydrophobicContact CD2-CG 4.21Å; L194-F230 HydrophobicContact CD2-CZ 3.79Å; L194-F230 HydrophobicContact CG-CD1 4.03Å; L194-F230 HydrophobicContact CG-CE1 4.3Å; 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 3.34Å; F227-F230 PolarHBondContact O-N 3.35Å; F227-F230 VanDerWaalsContact O-N 3.17Å; W228-F230 PolarHBondContact O-N 3.29Å; F230-H232 VanDerWaalsContact C-N 3.31Å; F230-H232 PolarHBondContact O-N 2.94Å; F230-P233 WeakPolarHBondContact O-CD 3.26Å; F230-E234 HydrophobicContact CD2-CB 4.47Å; F230-E234 HydrophobicContact CE1-CB 4.29Å; F230-E234 HydrophobicContact CE1-CG 4.33Å; F230-E234 HydrophobicContact CE2-CB 3.8Å; F230-E234 HydrophobicContact CE2-CG 3.98Å; F230-E234 WeakPolarHBondContact CE2-OE2 3.24Å; F230-E234 HydrophobicContact CZ-CB 3.7Å; F230-E234 HydrophobicContact CZ-CG 3.56Å; F230-E234 PolarHBondContact O-N 3.23Å; F230-E234 VanDerWaalsContact O-N 3.16Å
231G93Very high95.9Very high0 Ų067 Ų670%033%0.329CS..Hα-helixtrans-69.4-25.3-163.900000114.2F227 W228F227-G231 PolarHBondContact O-N 2.92Å; W228-G231 PolarHBondContact O-N 3.23Å
232H95.1Very high95.7Very high141 Ų14165.6 Ų65.665%0.65332%0.321SS*.Hα-helixtrans-79.9-42.8174.5-166.663.1000113.2W228 F230 E234 V235W228-H232 PolarHBondContact O-N 2.84Å; F230-H232 VanDerWaalsContact C-N 3.31Å; F230-H232 PolarHBondContact O-N 2.94Å; H232-E234 PolarHBondContact O-N 3.05Å; H232-V235 WeakPolarHBondContact O-CG2 3.41Å; H232-V235 PolarHBondContact O-N 2.75Å
233P94.4Very high95.5Very high47 Ų4765.2 Ų65.231%0.30532%0.317SS..Hα-helixtrans-60.1-22.8168.2-30.236.4000116.1F229 F230F229-P233 WeakPolarHBondContact O-CD 3.4Å; F229-P233 VanDerWaalsContact O-CG 3.26Å; F229-P233 WeakPolarHBondContact O-CG 3.48Å; F230-P233 WeakPolarHBondContact O-CD 3.26Å
234E91.4Very high95.3Very high27 Ų2770.7 Ų70.713%0.12634%0.344CS..Hα-helixtrans-76.3-26.1179.1-178.564.7-170.300113.6I58 M63 L187 F230 H232I58-E234 HydrophobicContact CG2-CG 4.46Å; M63-E234 WeakPolarHBondContact CG-OE1 3.45Å; L187-E234 WeakPolarHBondContact CD2-OE2 3.32Å; F230-E234 HydrophobicContact CD2-CB 4.47Å; F230-E234 HydrophobicContact CE1-CB 4.29Å; F230-E234 HydrophobicContact CE1-CG 4.33Å; F230-E234 HydrophobicContact CE2-CB 3.8Å; F230-E234 HydrophobicContact CE2-CG 3.98Å; F230-E234 WeakPolarHBondContact CE2-OE2 3.24Å; F230-E234 HydrophobicContact CZ-CB 3.7Å; F230-E234 HydrophobicContact CZ-CG 3.56Å; F230-E234 PolarHBondContact O-N 3.23Å; F230-E234 VanDerWaalsContact O-N 3.16Å; H232-E234 PolarHBondContact O-N 3.05Å
235V82.3Confident95Very high147 Ų14770.1 Ų70.189%0.89134%0.342SS*.  trans-94.10-176.1-64.80000113.3H232H232-V235 WeakPolarHBondContact O-CG2 3.41Å; H232-V235 PolarHBondContact O-N 2.75Å

Retrieved 235 of 235 residues in 390.2 ms (Link to these results)