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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 (P00399), UniProt , Accession A0A075E6K7, Species DROME (Drosophila melanogaster, Fruit fly), Gene COX1, Length 511 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
1S61.8Low85.6Confident127 Ų12774.7 Ų74.789%0.88836%0.363SS*.  0-52.7057.80000112.1Q3 W4 L5S1-Q3 PolarHBondContact O-N 3.46Å; S1-W4 PolarHBondContact O-N 2.99Å; S1-L5 WeakPolarHBondContact O-CB 3.07Å; S1-L5 PolarHBondContact O-N 3.15Å
2R73.7Confident86.5Confident201 Ų20170.1 Ų70.176%0.75834%0.341SS*.Hα-helixtrans-57.9-42.4-177.7-69-173.2-179.7-177.40.3114.3W4 F6R2-W4 PolarHBondContact O-N 3.18Å; R2-F6 HydrophobicContact CB-CD2 4.44Å; R2-F6 HydrophobicContact CG-CD2 4.28Å; R2-F6 PolarHBondContact O-N 3.16Å; R2-F6 VanDerWaalsContact O-N 3.12Å
3Q79.4Confident87.3Confident95 Ų9564.7 Ų64.744%0.44432%0.315SS..Hα-helixtrans-54.3-40.1177.5-176-178.45.500112.4S1 S7S1-Q3 PolarHBondContact O-N 3.46Å; Q3-S7 WeakPolarHBondContact O-CA 3.31Å; Q3-S7 WeakPolarHBondContact O-CB 3.23Å; Q3-S7 PolarHBondContact O-OG 2.96Å
4W85.5Confident88Confident98 Ų9860.1 Ų60.137%0.37129%0.292SS..Hα-helixtrans-91.3-52.7-176.6-58.6110.6000112.4S1 R2 F6 S7 D12 T15 L16S1-W4 PolarHBondContact O-N 2.99Å; R2-W4 PolarHBondContact O-N 3.18Å; W4-F6 PolarHBondContact O-N 2.66Å; W4-S7 PolarHBondContact O-N 3.42Å; W4-D12 HydrophobicContact CE3-CB 4.25Å; W4-D12 HydrophobicContact CZ3-CB 4.02Å; W4-T15 HydrophobicContact CH2-CG2 4.42Å; W4-T15 HydrophobicContact CZ3-CG2 4.34Å; W4-L16 HydrophobicContact CB-CD2 4.45Å; W4-L16 HydrophobicContact CE3-CD1 4.46Å; W4-L16 HydrophobicContact CE3-CD2 3.89Å; W4-L16 HydrophobicContact CE3-CG 4.01Å
5L85.7Confident88.6Confident75 Ų7558.4 Ų58.439%0.39329%0.287SS..Hα-helixtrans-62.9-43.2-174.3-174.662.6000111.9S1 N97 W101S1-L5 WeakPolarHBondContact O-CB 3.07Å; S1-L5 PolarHBondContact O-N 3.15Å; L5-N97 PolarHBondContact O-ND2 3.38Å; L5-W101 HydrophobicContact CB-CZ2 4.46Å; L5-W101 HydrophobicContact CD1-CD2 4.32Å; L5-W101 HydrophobicContact CD1-CH2 3.82Å; L5-W101 HydrophobicContact CD1-CZ2 3.59Å; L5-W101 HydrophobicContact CD1-CZ3 4.27Å; L5-W101 PolarHBondContact O-NE1 3.36Å
6F88Confident89.2Confident139 Ų13956 Ų5661%0.6128%0.276SS*.THydrogen-bonded Turntrans-109.120.4-176.9-52.9-63.9000112.2R2 W4 T8R2-F6 HydrophobicContact CB-CD2 4.44Å; R2-F6 HydrophobicContact CG-CD2 4.28Å; R2-F6 PolarHBondContact O-N 3.16Å; R2-F6 VanDerWaalsContact O-N 3.12Å; W4-F6 PolarHBondContact O-N 2.66Å; F6-T8 PolarHBondContact O-N 2.86Å
7S91.1Very high89.7Confident10 Ų1053.4 Ų53.47%0.0726%0.262CS..  trans-59.6132.5180-156.80000110.2Q3 W4 N9 D12 N97Q3-S7 WeakPolarHBondContact O-CA 3.31Å; Q3-S7 WeakPolarHBondContact O-CB 3.23Å; Q3-S7 PolarHBondContact O-OG 2.96Å; W4-S7 PolarHBondContact O-N 3.42Å; S7-N9 WeakPolarHBondContact OG-CB 3.43Å; S7-N9 PolarHBondContact OG-N 2.7Å; S7-N9 VanDerWaalsContact OG-N 3.13Å; S7-D12 WeakPolarHBondContact OG-CB 3.47Å; S7-D12 PolarHBondContact OG-OD2 3.45Å; S7-N97 WeakPolarHBondContact O-CB 3.39Å; S7-N97 PolarHBondContact O-ND2 3.21Å
8T91.8Very high90.2Very high64 Ų6451.7 Ų51.739%0.39325%0.253SS..  trans-100.4-3.3162.650.10000111.7F6 P93 R94F6-T8 PolarHBondContact O-N 2.86Å; T8-P93 HydrophobicContact CG2-CB 4.17Å; T8-P93 WeakPolarHBondContact O-CB 3.45Å; T8-R94 HydrophobicContact CG2-CG 4.09Å
9N94Very high90.6Very high6 Ų654.3 Ų54.33%0.03227%0.267CS..  trans-77.2125.5-176.2-166.3-61.7000111.2S7 K11 D12 I13 E500S7-N9 WeakPolarHBondContact OG-CB 3.43Å; S7-N9 PolarHBondContact OG-N 2.7Å; S7-N9 VanDerWaalsContact OG-N 3.13Å; N9-K11 PolarHBondContact O-N 3.5Å; N9-K11 VanDerWaalsContact OD1-CB 3.3Å; N9-K11 WeakPolarHBondContact OD1-CB 3.34Å; N9-K11 PolarHBondContact OD1-N 3.28Å; N9-D12 HydrophobicContact CB-CB 4.18Å; N9-D12 PolarHBondContact O-N 3.03Å; N9-I13 WeakPolarHBondContact O-CG1 3.27Å; N9-I13 PolarHBondContact O-N 2.95Å; N9-E500 WeakPolarHBondContact ND2-CA 3.43Å; N9-E500 WeakPolarHBondContact ND2-CB 3.47Å; N9-E500 PolarHBondContact ND2-O 3.32Å
10H95.7Very high91Very high0 Ų052.6 Ų52.60%026%0.258CS..Hα-helixtrans-56.3-32.7176.671101.9000114.4G14 N78 P82 D89 M90H10-G14 PolarHBondContact O-N 3.33Å; H10-N78 PolarHBondContact ND1-O 3.19Å; H10-N78 WeakPolarHBondContact O-CB 3.29Å; H10-P82 HydrophobicContact CB-CG 4.16Å; H10-D89 VanDerWaalsContact CB-OD1 3.28Å; H10-D89 WeakPolarHBondContact CB-OD1 3.37Å; H10-D89 IonicContact CD2-OD1 3.39Å; H10-D89 PolarHBondContact CD2-OD1 2.94Å; H10-D89 IonicContact CG-OD1 3.85Å; H10-D89 PolarHBondContact N-OD1 3.09Å; H10-M90 HydrophobicContact CB-CG 3.79Å
11K95.4Very high91.4Very high7 Ų750.1 Ų50.13%0.0325%0.246CC..Hα-helixtrans-73.4-42.2-179.9-62.4178.9-79.4-86.80112.1N9 G14 T15 W79 P498 A499 E500 S502N9-K11 PolarHBondContact O-N 3.5Å; N9-K11 VanDerWaalsContact OD1-CB 3.3Å; N9-K11 WeakPolarHBondContact OD1-CB 3.34Å; N9-K11 PolarHBondContact OD1-N 3.28Å; K11-G14 PolarHBondContact O-N 3.22Å; K11-T15 WeakPolarHBondContact O-CB 3.37Å; K11-T15 PolarHBondContact O-N 2.7Å; K11-T15 PolarHBondContact O-OG1 2.97Å; K11-W79 HydrophobicContact CB-CD2 4.13Å; K11-W79 HydrophobicContact CB-CE3 4.01Å; K11-W79 HydrophobicContact CB-CH2 3.78Å; K11-W79 HydrophobicContact CB-CZ2 3.87Å; K11-W79 HydrophobicContact CB-CZ3 3.84Å; K11-W79 HydrophobicContact CD-CE3 4.06Å; K11-W79 HydrophobicContact CD-CH2 4.1Å; K11-W79 HydrophobicContact CD-CZ3 3.57Å; K11-W79 HydrophobicContact CG-CD2 4.19Å; K11-W79 HydrophobicContact CG-CE3 3.67Å; K11-W79 HydrophobicContact CG-CH2 4.1Å; K11-W79 HydrophobicContact CG-CZ3 3.63Å; K11-W79 PolarHBondContact O-NE1 2.89Å; K11-W79 VanDerWaalsContact O-NE1 3.13Å; K11-P498 HydrophobicContact CD-CB 4.14Å; K11-P498 HydrophobicContact CD-CG 4.49Å; K11-A499 WeakPolarHBondContact CE-O 3.09Å; K11-A499 PolarHBondContact NZ-O 3.3Å; K11-E500 WeakPolarHBondContact CE-O 3.32Å; K11-E500 PolarHBondContact NZ-O 3.04Å; K11-S502 PolarHBondContact NZ-OG 3.15Å; K11-S502 VanDerWaalsContact NZ-OG 3.12Å
12D95.4Very high93.1Very high19 Ų1945.6 Ų45.610%0.10222%0.216CC..Hα-helixtrans-63-46.2174.3-71.9-11.6000110.3W4 S7 N9 G14 T15 L16W4-D12 HydrophobicContact CE3-CB 4.25Å; W4-D12 HydrophobicContact CZ3-CB 4.02Å; S7-D12 WeakPolarHBondContact OG-CB 3.47Å; S7-D12 PolarHBondContact OG-OD2 3.45Å; N9-D12 HydrophobicContact CB-CB 4.18Å; N9-D12 PolarHBondContact O-N 3.03Å; D12-G14 PolarHBondContact O-N 3.31Å; D12-T15 WeakPolarHBondContact O-CB 3.46Å; D12-T15 PolarHBondContact O-N 3.17Å; D12-T15 VanDerWaalsContact O-N 3.15Å; D12-L16 WeakPolarHBondContact O-CG 3.44Å; D12-L16 PolarHBondContact O-N 3.1Å
13I96.9Very high94.3Very high0 Ų042.9 Ų42.90%021%0.206CC..Hα-helixtrans-61.6-45.4177.8-67166.4000110.4N9 T15 L16 Y17 N96 N97 F100N9-I13 WeakPolarHBondContact O-CG1 3.27Å; N9-I13 PolarHBondContact O-N 2.95Å; I13-T15 VanDerWaalsContact C-N 3.27Å; I13-T15 PolarHBondContact O-N 3.08Å; I13-L16 WeakPolarHBondContact O-CB 3.47Å; I13-L16 PolarHBondContact O-N 3.43Å; I13-L16 VanDerWaalsContact O-N 3.15Å; I13-Y17 HydrophobicContact CG2-CD2 3.81Å; I13-Y17 HydrophobicContact CG2-CE2 3.59Å; I13-Y17 WeakPolarHBondContact O-CD2 3.02Å; I13-Y17 PolarHBondContact O-N 2.72Å; I13-N96 HydrophobicContact CD1-CB 3.9Å; I13-N96 WeakPolarHBondContact CD1-ND2 3.37Å; I13-N97 HydrophobicContact CD1-CB 4.12Å; I13-F100 HydrophobicContact CG2-CB 4.21Å
14G97.6Very high95.2Very high0 Ų038.4 Ų38.40%019%0.185CC..Hα-helixtrans-59.4-37.7174.500000112.8H10 K11 D12 Y17 F18 G75H10-G14 PolarHBondContact O-N 3.33Å; K11-G14 PolarHBondContact O-N 3.22Å; D12-G14 PolarHBondContact O-N 3.31Å; G14-Y17 WeakPolarHBondContact O-CB 3.34Å; G14-Y17 PolarHBondContact O-N 3.15Å; G14-F18 WeakPolarHBondContact O-CD2 3.1Å; G14-F18 PolarHBondContact O-N 3.45Å; G14-G75 WeakPolarHBondContact O-CA 3.31Å
15T97.1Very high95.8Very high35 Ų3534 Ų3422%0.21517%0.17CC..Hα-helixtrans-66.5-41.4174.5-56.30000111.9W4 K11 D12 I13 Y17 F18 I19 W79W4-T15 HydrophobicContact CH2-CG2 4.42Å; W4-T15 HydrophobicContact CZ3-CG2 4.34Å; K11-T15 WeakPolarHBondContact O-CB 3.37Å; K11-T15 PolarHBondContact O-N 2.7Å; K11-T15 PolarHBondContact O-OG1 2.97Å; D12-T15 WeakPolarHBondContact O-CB 3.46Å; D12-T15 PolarHBondContact O-N 3.17Å; D12-T15 VanDerWaalsContact O-N 3.15Å; I13-T15 VanDerWaalsContact C-N 3.27Å; I13-T15 PolarHBondContact O-N 3.08Å; T15-Y17 VanDerWaalsContact C-N 3.31Å; T15-Y17 PolarHBondContact O-N 2.89Å; T15-F18 PolarHBondContact O-N 3.29Å; T15-I19 HydrophobicContact CG2-CD1 4.09Å; T15-I19 WeakPolarHBondContact O-CG1 3.29Å; T15-I19 PolarHBondContact O-N 3.22Å; T15-W79 VanDerWaalsContact OG1-CZ2 3.29Å; T15-W79 WeakPolarHBondContact OG1-CZ2 3.03Å; T15-W79 PolarHBondContact OG1-NE1 3.36Å
16L97.7Very high96.4Very high20 Ų2033.2 Ų33.211%0.10517%0.165CC..Hα-helixtrans-60.2-41.5174.6-71.5174.8000111.6W4 D12 I13 I19 F20 F100 W101W4-L16 HydrophobicContact CB-CD2 4.45Å; W4-L16 HydrophobicContact CE3-CD1 4.46Å; W4-L16 HydrophobicContact CE3-CD2 3.89Å; W4-L16 HydrophobicContact CE3-CG 4.01Å; D12-L16 WeakPolarHBondContact O-CG 3.44Å; D12-L16 PolarHBondContact O-N 3.1Å; I13-L16 WeakPolarHBondContact O-CB 3.47Å; I13-L16 PolarHBondContact O-N 3.43Å; I13-L16 VanDerWaalsContact O-N 3.15Å; L16-I19 PolarHBondContact O-N 3.03Å; L16-F20 VanDerWaalsContact O-CB 3.27Å; L16-F20 WeakPolarHBondContact O-CB 3.29Å; L16-F20 PolarHBondContact O-N 3.44Å; L16-F100 VanDerWaalsContact C-CE2 3.44Å; L16-F100 HydrophobicContact CB-CD1 4.13Å; L16-F100 HydrophobicContact CB-CD2 3.97Å; L16-F100 HydrophobicContact CB-CE1 3.8Å; L16-F100 HydrophobicContact CB-CE2 3.63Å; L16-F100 HydrophobicContact CB-CG 4.22Å; L16-F100 HydrophobicContact CB-CZ 3.56Å; L16-F100 HydrophobicContact CD1-CD1 3.93Å; L16-F100 HydrophobicContact CD1-CE1 3.83Å; L16-F100 HydrophobicContact CD1-CZ 4.43Å; L16-F100 HydrophobicContact CD2-CE1 4.42Å; L16-F100 HydrophobicContact CD2-CZ 4.43Å; L16-F100 HydrophobicContact CG-CE1 4.24Å; L16-F100 HydrophobicContact CG-CZ 4.36Å; L16-F100 WeakPolarHBondContact O-CE2 3.12Å; L16-W101 HydrophobicContact CD1-CZ2 4.44Å
17Y98.6Very high96.9Very high12 Ų1228 Ų285%0.04715%0.145CC..Hα-helixtrans-61.1-42.1172.9-84.2-73.9000112.7I13 G14 T15 G21 P70 G74 N78 S99 F100 L103I13-Y17 HydrophobicContact CG2-CD2 3.81Å; I13-Y17 HydrophobicContact CG2-CE2 3.59Å; I13-Y17 WeakPolarHBondContact O-CD2 3.02Å; I13-Y17 PolarHBondContact O-N 2.72Å; G14-Y17 WeakPolarHBondContact O-CB 3.34Å; G14-Y17 PolarHBondContact O-N 3.15Å; T15-Y17 VanDerWaalsContact C-N 3.31Å; T15-Y17 PolarHBondContact O-N 2.89Å; Y17-G21 PolarHBondContact O-N 3.34Å; Y17-P70 HydrophobicContact CD1-CB 3.97Å; Y17-G74 VanDerWaalsContact CD2-C 3.43Å; Y17-G74 WeakPolarHBondContact CD2-O 3.3Å; Y17-G74 VanDerWaalsContact CG-CA 3.44Å; Y17-N78 WeakPolarHBondContact CE2-ND2 3.25Å; Y17-S99 VanDerWaalsContact OH-C 3.27Å; Y17-S99 PolarHBondContact OH-OG 3.31Å; Y17-F100 AromaticContact CD1-CD2 3.97Å; Y17-F100 HydrophobicContact CD1-CD2 3.97Å; Y17-F100 HydrophobicContact CD2-CB 4.38Å; Y17-F100 HydrophobicContact CD2-CD2 4.06Å; Y17-F100 HydrophobicContact CE1-CB 4.49Å; Y17-F100 HydrophobicContact CE1-CD2 4.12Å; Y17-F100 HydrophobicContact CE2-CB 3.74Å; Y17-F100 HydrophobicContact CE2-CD2 4.16Å; Y17-F100 HydrophobicContact CE2-CG 4.41Å; Y17-F100 AromaticContact CG-CD2 3.95Å; Y17-F100 HydrophobicContact CG-CD2 3.95Å; Y17-F100 WeakPolarHBondContact OH-CA 3.24Å; Y17-F100 PolarHBondContact OH-N 3.38Å; Y17-F100 VanDerWaalsContact OH-N 3.12Å; Y17-L103 HydrophobicContact CD1-CD1 3.97Å; Y17-L103 HydrophobicContact CE1-CD1 3.47Å; Y17-L103 VanDerWaalsContact CE1-CD1 3.47Å
18F98.4Very high97.3Very high22 Ų2227.5 Ų27.510%0.09614%0.141CC..Hα-helixtrans-62.7-44.9175.2-73.4-45.8000112.4G14 T15 A22 I71 F76 W79 F398G14-F18 WeakPolarHBondContact O-CD2 3.1Å; G14-F18 PolarHBondContact O-N 3.45Å; T15-F18 PolarHBondContact O-N 3.29Å; F18-A22 WeakPolarHBondContact O-CB 3.38Å; F18-A22 PolarHBondContact O-N 2.84Å; F18-I71 HydrophobicContact CD1-CG2 3.96Å; F18-I71 HydrophobicContact CE1-CG2 3.9Å; F18-F76 HydrophobicContact CE1-CD1 4.37Å; F18-F76 AromaticContact CE1-CD2 3.83Å; F18-F76 HydrophobicContact CE1-CD2 3.83Å; F18-F76 HydrophobicContact CE1-CE1 4.29Å; F18-F76 AromaticContact CE1-CE2 3.75Å; F18-F76 HydrophobicContact CE1-CE2 3.75Å; F18-F76 HydrophobicContact CE1-CG 4.13Å; F18-F76 AromaticContact CE1-CZ 3.98Å; F18-F76 HydrophobicContact CE1-CZ 3.98Å; F18-F76 AromaticContact CZ-CD1 3.85Å; F18-F76 HydrophobicContact CZ-CD1 3.85Å; F18-F76 HydrophobicContact CZ-CD2 4.11Å; F18-F76 AromaticContact CZ-CE1 3.91Å; F18-F76 HydrophobicContact CZ-CE1 3.91Å; F18-F76 HydrophobicContact CZ-CE2 4.18Å; F18-F76 AromaticContact CZ-CG 3.93Å; F18-F76 HydrophobicContact CZ-CG 3.93Å; F18-F76 HydrophobicContact CZ-CZ 4.07Å; F18-W79 AromaticContact CE2-CD1 3.51Å; F18-W79 HydrophobicContact CE2-CG 4.32Å; F18-W79 AromaticContact CE2-NE1 3.95Å; F18-F398 HydrophobicContact CE2-CD2 4Å; F18-F398 AromaticContact CE2-CE2 3.67Å; F18-F398 HydrophobicContact CE2-CE2 3.67Å; F18-F398 HydrophobicContact CE2-CZ 4.09Å; F18-F398 AromaticContact CZ-CE2 3.81Å; F18-F398 HydrophobicContact CZ-CE2 3.81Å; F18-F398 HydrophobicContact CZ-CZ 4.14Å
19I98Very high97.6Very high102 Ų10225.3 Ų25.352%0.52313%0.128SC..Hα-helixtrans-64.1-47.5179.1-66167.8000110.4T15 L16 A22 W23T15-I19 HydrophobicContact CG2-CD1 4.09Å; T15-I19 WeakPolarHBondContact O-CG1 3.29Å; T15-I19 PolarHBondContact O-N 3.22Å; L16-I19 PolarHBondContact O-N 3.03Å; I19-A22 PolarHBondContact O-N 2.94Å; I19-W23 PolarHBondContact O-N 2.91Å
20F98.6Very high97.8Very high20 Ų2027.9 Ų27.99%0.08815%0.147CC..Hα-helixtrans-59.9-50.3178176.2-94.1000111.5L16 A22 W23 A24 F66 P70 F100 L103 P104 L107L16-F20 VanDerWaalsContact O-CB 3.27Å; L16-F20 WeakPolarHBondContact O-CB 3.29Å; L16-F20 PolarHBondContact O-N 3.44Å; F20-A22 VanDerWaalsContact C-N 3.33Å; F20-A22 PolarHBondContact O-N 3.45Å; F20-W23 PolarHBondContact O-N 2.73Å; F20-A24 WeakPolarHBondContact O-CB 3.35Å; F20-A24 PolarHBondContact O-N 3.36Å; F20-F66 HydrophobicContact CE1-CB 4.13Å; F20-F66 AromaticContact CE1-CD1 3.9Å; F20-F66 HydrophobicContact CE1-CD1 3.9Å; F20-F66 WeakPolarHBondContact CE1-O 3.31Å; F20-F66 HydrophobicContact CZ-CB 4.4Å; F20-F66 AromaticContact CZ-CD1 3.68Å; F20-F66 HydrophobicContact CZ-CD1 3.68Å; F20-F66 HydrophobicContact CZ-CE1 4.48Å; F20-F66 HydrophobicContact CZ-CG 4.49Å; F20-P70 HydrophobicContact CD1-CB 4.27Å; F20-P70 HydrophobicContact CD1-CG 4.48Å; F20-P70 HydrophobicContact CE1-CG 4.33Å; F20-F100 HydrophobicContact CB-CE2 3.84Å; F20-F100 HydrophobicContact CB-CZ 4.36Å; F20-F100 HydrophobicContact CG-CE2 4.34Å; F20-L103 HydrophobicContact CD1-CB 4.44Å; F20-L103 HydrophobicContact CD1-CD1 4.16Å; F20-L103 HydrophobicContact CE1-CB 3.84Å; F20-L103 HydrophobicContact CE1-CD1 3.96Å; F20-L103 HydrophobicContact CE1-CG 4.47Å; F20-L103 HydrophobicContact CE2-CB 4.22Å; F20-L103 HydrophobicContact CZ-CB 3.7Å; F20-P104 HydrophobicContact CD2-CG 4.28Å; F20-P104 HydrophobicContact CE2-CB 4.45Å; F20-P104 HydrophobicContact CE2-CG 4.21Å; F20-L107 HydrophobicContact CE2-CB 4.25Å; F20-L107 HydrophobicContact CE2-CD2 3.71Å; F20-L107 HydrophobicContact CZ-CB 3.96Å; F20-L107 HydrophobicContact CZ-CD2 3.62Å; F20-L107 HydrophobicContact CZ-CG 4.45Å
21G98.7Very high97.9Very high0 Ų029.1 Ų29.10%015%0.153CC..Hα-helixtrans-64.5-36.2-179.800000113Y17 G25 F66Y17-G21 PolarHBondContact O-N 3.34Å; G21-G25 PolarHBondContact O-N 2.82Å; G21-F66 WeakPolarHBondContact CA-O 3.5Å
22A98.3Very high98Very high32 Ų3230 Ų3026%0.26416%0.16SC..Hα-helixtrans-65.5-43.1174.200000111.8F18 I19 F20 G25 M26 F467F18-A22 WeakPolarHBondContact O-CB 3.38Å; F18-A22 PolarHBondContact O-N 2.84Å; I19-A22 PolarHBondContact O-N 2.94Å; F20-A22 VanDerWaalsContact C-N 3.33Å; F20-A22 PolarHBondContact O-N 3.45Å; A22-G25 PolarHBondContact O-N 2.92Å; A22-M26 WeakPolarHBondContact O-CG 3.34Å; A22-M26 PolarHBondContact O-N 3.05Å; A22-M26 VanDerWaalsContact O-N 3.07Å; A22-F467 HydrophobicContact CB-CE1 4.34Å; A22-F467 HydrophobicContact CB-CZ 4.18Å
23W98.6Very high98.2Very high145 Ų14531.2 Ų31.255%0.54917%0.166SC..Hα-helixtrans-64.6-49.9176.4-174.789000111.7I19 F20 G25 M26 V27 L107 L111I19-W23 PolarHBondContact O-N 2.91Å; F20-W23 PolarHBondContact O-N 2.73Å; W23-G25 VanDerWaalsContact C-N 3.29Å; W23-G25 PolarHBondContact O-N 3.38Å; W23-M26 WeakPolarHBondContact O-CB 3.31Å; W23-M26 PolarHBondContact O-N 3.18Å; W23-M26 VanDerWaalsContact O-N 3.1Å; W23-V27 HydrophobicContact CD2-CG2 4.28Å; W23-V27 HydrophobicContact CE3-CG2 4.03Å; W23-V27 HydrophobicContact CH2-CG2 3.79Å; W23-V27 HydrophobicContact CZ2-CG2 4.05Å; W23-V27 HydrophobicContact CZ3-CG2 3.77Å; W23-V27 PolarHBondContact O-N 3.01Å; W23-V27 VanDerWaalsContact O-N 3.13Å; W23-L107 HydrophobicContact CE3-CD2 3.92Å; W23-L107 HydrophobicContact CZ3-CD2 3.56Å; W23-L107 HydrophobicContact CZ3-CG 4.35Å; W23-L111 HydrophobicContact CH2-CD1 4.05Å; W23-L111 HydrophobicContact CZ3-CD1 4.36Å
24A98.7Very high98.2Very high0 Ų035.2 Ų35.20%019%0.187CC..Hα-helixtrans-59.4-41.4176.200000111.3F20 M26 V27 G28 I62 F66 L107F20-A24 WeakPolarHBondContact O-CB 3.35Å; F20-A24 PolarHBondContact O-N 3.36Å; A24-M26 VanDerWaalsContact C-N 3.3Å; A24-M26 PolarHBondContact O-N 3.31Å; A24-V27 WeakPolarHBondContact O-CB 3.23Å; A24-V27 PolarHBondContact O-N 3.34Å; A24-V27 VanDerWaalsContact O-N 3.1Å; A24-G28 PolarHBondContact O-N 3.07Å; A24-I62 HydrophobicContact CB-CG2 4.22Å; A24-I62 WeakPolarHBondContact O-CG2 3.4Å; A24-F66 HydrophobicContact CB-CB 3.86Å; A24-F66 VanDerWaalsContact CB-O 3.27Å; A24-F66 WeakPolarHBondContact CB-O 3.22Å; A24-L107 HydrophobicContact CB-CD2 4.02Å
25G98.4Very high98.2Very high6 Ų636.1 Ų36.16%0.06219%0.192CC..Hα-helixtrans-59.4-36.9174.700000113.3G21 A22 W23 G28 T29G21-G25 PolarHBondContact O-N 2.82Å; A22-G25 PolarHBondContact O-N 2.92Å; W23-G25 VanDerWaalsContact C-N 3.29Å; W23-G25 PolarHBondContact O-N 3.38Å; G25-G28 PolarHBondContact O-N 3.3Å; G25-T29 VanDerWaalsContact O-CB 3.31Å; G25-T29 WeakPolarHBondContact O-CB 3.49Å; G25-T29 PolarHBondContact O-N 3.22Å; G25-T29 PolarHBondContact O-OG1 3.44Å
26M98.4Very high98.3Very high58 Ų5835 Ų3529%0.28618%0.183SC..Hα-helixtrans-68-38.2173.5-71.9-56.5-64.900112.3A22 W23 A24 T29 S30 I463 L464 F467A22-M26 WeakPolarHBondContact O-CG 3.34Å; A22-M26 PolarHBondContact O-N 3.05Å; A22-M26 VanDerWaalsContact O-N 3.07Å; W23-M26 WeakPolarHBondContact O-CB 3.31Å; W23-M26 PolarHBondContact O-N 3.18Å; W23-M26 VanDerWaalsContact O-N 3.1Å; A24-M26 VanDerWaalsContact C-N 3.3Å; A24-M26 PolarHBondContact O-N 3.31Å; M26-T29 PolarHBondContact O-N 3.49Å; M26-S30 PolarHBondContact O-N 2.6Å; M26-I463 HydrophobicContact SD-CG2 3.65Å; M26-L464 HydrophobicContact CE-CD2 4.1Å; M26-F467 HydrophobicContact CG-CE2 3.83Å; M26-F467 HydrophobicContact CG-CZ 3.97Å; M26-F467 HydrophobicContact SD-CD2 4.06Å; M26-F467 HydrophobicContact SD-CE2 3.39Å; M26-F467 WeakPolarHBondContact SD-CE2 3.33Å; M26-F467 HydrophobicContact SD-CZ 4.15Å
27V98.5Very high98.2Very high29 Ų2935.9 Ų35.918%0.17619%0.194CC..Hα-helixtrans-62.9-50172.4-177.80000110.2W23 A24 T29 S30 L31 I62 L111W23-V27 HydrophobicContact CD2-CG2 4.28Å; W23-V27 HydrophobicContact CE3-CG2 4.03Å; W23-V27 HydrophobicContact CH2-CG2 3.79Å; W23-V27 HydrophobicContact CZ2-CG2 4.05Å; W23-V27 HydrophobicContact CZ3-CG2 3.77Å; W23-V27 PolarHBondContact O-N 3.01Å; W23-V27 VanDerWaalsContact O-N 3.13Å; A24-V27 WeakPolarHBondContact O-CB 3.23Å; A24-V27 PolarHBondContact O-N 3.34Å; A24-V27 VanDerWaalsContact O-N 3.1Å; V27-T29 VanDerWaalsContact C-N 3.29Å; V27-T29 PolarHBondContact O-N 3.34Å; V27-S30 PolarHBondContact O-N 3.27Å; V27-S30 VanDerWaalsContact O-N 3.11Å; V27-S30 PolarHBondContact O-OG 2.96Å; V27-L31 PolarHBondContact O-N 3.35Å; V27-L31 VanDerWaalsContact O-N 3.09Å; V27-I62 HydrophobicContact CB-CD1 4.42Å; V27-I62 HydrophobicContact CG1-CD1 3.69Å; V27-L111 HydrophobicContact CG1-CD2 4.29Å
28G98.5Very high98.2Very high0 Ų035.4 Ų35.40%019%0.192CC..Hα-helixtrans-58.8-39.3177.100000112.8A24 G25 L31 S32 H59A24-G28 PolarHBondContact O-N 3.07Å; G25-G28 PolarHBondContact O-N 3.3Å; G28-L31 PolarHBondContact O-N 2.79Å; G28-S32 PolarHBondContact O-N 3.32Å; G28-H59 PolarHBondContact O-ND1 2.92Å
29T98.1Very high98.1Very high19 Ų1934.4 Ų34.412%0.11719%0.188CC..Hα-helixtrans-65.2-42.7174.9-58.40000111.3G25 M26 V27 L31 S32 I33 L460 I463G25-T29 VanDerWaalsContact O-CB 3.31Å; G25-T29 WeakPolarHBondContact O-CB 3.49Å; G25-T29 PolarHBondContact O-N 3.22Å; G25-T29 PolarHBondContact O-OG1 3.44Å; M26-T29 PolarHBondContact O-N 3.49Å; V27-T29 VanDerWaalsContact C-N 3.29Å; V27-T29 PolarHBondContact O-N 3.34Å; T29-L31 VanDerWaalsContact C-N 3.33Å; T29-L31 PolarHBondContact O-N 3.42Å; T29-S32 VanDerWaalsContact O-CB 3.31Å; T29-S32 WeakPolarHBondContact O-CB 3.4Å; T29-S32 PolarHBondContact O-N 3.23Å; T29-S32 VanDerWaalsContact O-N 3.12Å; T29-I33 WeakPolarHBondContact O-CG1 3.49Å; T29-I33 PolarHBondContact O-N 2.72Å; T29-L460 HydrophobicContact CG2-CD1 3.92Å; T29-I463 HydrophobicContact CG2-CD1 3.8Å
30S98.4Very high98Very high60 Ų6030.3 Ų30.342%0.4217%0.171SC..Hα-helixtrans-60.7-41.8177.371.30000112.2M26 V27 S32 I33 L34M26-S30 PolarHBondContact O-N 2.6Å; V27-S30 PolarHBondContact O-N 3.27Å; V27-S30 VanDerWaalsContact O-N 3.11Å; V27-S30 PolarHBondContact O-OG 2.96Å; S30-S32 VanDerWaalsContact C-N 3.35Å; S30-S32 PolarHBondContact O-N 2.91Å; S30-I33 PolarHBondContact O-N 3.17Å; S30-L34 PolarHBondContact O-N 3.26Å; S30-L34 VanDerWaalsContact O-N 3.13Å
31L98.3Very high97.7Very high26 Ų2633.7 Ų33.714%0.13619%0.186CC..Hα-helixtrans-64.2-39.1174-62.5173.2000111.7V27 G28 T29 I33 L34 I35 I55 A58 H59 I62V27-L31 PolarHBondContact O-N 3.35Å; V27-L31 VanDerWaalsContact O-N 3.09Å; G28-L31 PolarHBondContact O-N 2.79Å; T29-L31 VanDerWaalsContact C-N 3.33Å; T29-L31 PolarHBondContact O-N 3.42Å; L31-I33 VanDerWaalsContact C-N 3.31Å; L31-I33 PolarHBondContact O-N 3.4Å; L31-L34 HydrophobicContact CD2-CD1 4.47Å; L31-L34 PolarHBondContact O-N 3.41Å; L31-I35 WeakPolarHBondContact O-CG1 3.38Å; L31-I35 PolarHBondContact O-N 3.07Å; L31-I55 HydrophobicContact CB-CG2 3.96Å; L31-I55 HydrophobicContact CD2-CB 4.5Å; L31-I55 HydrophobicContact CD2-CG1 4.35Å; L31-I55 HydrophobicContact CD2-CG2 3.95Å; L31-A58 HydrophobicContact CD1-CB 3.79Å; L31-H59 HydrophobicContact CB-CB 3.91Å; L31-H59 HydrophobicContact CD1-CB 4.32Å; L31-I62 HydrophobicContact CD1-CD1 3.85Å
32S98.1Very high97.5Very high24 Ų2436 Ų3617%0.16820%0.202CC..Hα-helixtrans-59.4-41.5174.8-167.80000112.3G28 T29 S30 I35 R36G28-S32 PolarHBondContact O-N 3.32Å; T29-S32 VanDerWaalsContact O-CB 3.31Å; T29-S32 WeakPolarHBondContact O-CB 3.4Å; T29-S32 PolarHBondContact O-N 3.23Å; T29-S32 VanDerWaalsContact O-N 3.12Å; S30-S32 VanDerWaalsContact C-N 3.35Å; S30-S32 PolarHBondContact O-N 2.91Å; S32-I35 PolarHBondContact O-N 2.86Å; S32-R36 WeakPolarHBondContact O-CG 3.41Å; S32-R36 PolarHBondContact O-N 3.1Å
33I98.1Very high97.2Very high45 Ų4535.8 Ų35.823%0.23120%0.203CC..Hα-helixtrans-65.7-39.5176.7-63.4-64.9000110.9T29 S30 L31 R36 A37 S456 L460T29-I33 WeakPolarHBondContact O-CG1 3.49Å; T29-I33 PolarHBondContact O-N 2.72Å; S30-I33 PolarHBondContact O-N 3.17Å; L31-I33 VanDerWaalsContact C-N 3.31Å; L31-I33 PolarHBondContact O-N 3.4Å; I33-R36 PolarHBondContact O-N 2.94Å; I33-A37 WeakPolarHBondContact O-CB 3.33Å; I33-A37 PolarHBondContact O-N 3.27Å; I33-S456 WeakPolarHBondContact CD1-OG 3.46Å; I33-L460 HydrophobicContact CD1-CB 3.91Å; I33-L460 HydrophobicContact CD1-CD2 4.06Å; I33-L460 HydrophobicContact CD1-CG 4.43Å; I33-L460 HydrophobicContact CG1-CD1 4.39Å; I33-L460 HydrophobicContact CG1-CD2 4.1Å
34L97.7Very high96.8Very high85 Ų8531.7 Ų31.745%0.44520%0.2SC..Hα-helixtrans-61.8-43.4174.2-66175.6000111.8S30 L31 R36 A37 E38 I55S30-L34 PolarHBondContact O-N 3.26Å; S30-L34 VanDerWaalsContact O-N 3.13Å; L31-L34 HydrophobicContact CD2-CD1 4.47Å; L31-L34 PolarHBondContact O-N 3.41Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 2.79Å; L34-A37 PolarHBondContact O-N 3.04Å; L34-E38 PolarHBondContact O-N 3.13Å; L34-I55 HydrophobicContact CB-CD1 4.4Å; L34-I55 HydrophobicContact CB-CG2 4.29Å; L34-I55 HydrophobicContact CD1-CD1 4.18Å
35I98.1Very high96.6Very high19 Ų1936.6 Ų36.610%0.09723%0.225CC..Hα-helixtrans-59.8-43.5175.3-64.2161.4000110.8L31 S32 E38 L39 Y52 I55 V56 H59L31-I35 WeakPolarHBondContact O-CG1 3.38Å; L31-I35 PolarHBondContact O-N 3.07Å; S32-I35 PolarHBondContact O-N 2.86Å; I35-E38 PolarHBondContact O-N 3.44Å; I35-L39 HydrophobicContact CG2-CD1 3.92Å; I35-L39 WeakPolarHBondContact O-CB 3.32Å; I35-L39 WeakPolarHBondContact O-CG 3.43Å; I35-L39 PolarHBondContact O-N 3Å; I35-Y52 HydrophobicContact CG2-CE2 4.02Å; I35-I55 HydrophobicContact CD1-CG2 4.08Å; I35-I55 HydrophobicContact CG1-CG2 3.66Å; I35-V56 HydrophobicContact CD1-CB 4.38Å; I35-V56 HydrophobicContact CD1-CG2 3.78Å; I35-V56 HydrophobicContact CG1-CG2 3.85Å; I35-V56 HydrophobicContact CG2-CG2 4.48Å; I35-H59 HydrophobicContact CD1-CB 4Å
36R97.5Very high96.4Very high10 Ų1039 Ų394%0.03824%0.236CC..Hα-helixtrans-74.3-25.6179.2-68.4-49.2-48166.38113.8S32 I33 L34 G40 N449 S452 T453 S456S32-R36 WeakPolarHBondContact O-CG 3.41Å; S32-R36 PolarHBondContact O-N 3.1Å; I33-R36 PolarHBondContact O-N 2.94Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 2.79Å; R36-G40 WeakPolarHBondContact O-CA 3.49Å; R36-G40 PolarHBondContact O-N 2.9Å; R36-N449 PolarHBondContact NH1-OD1 2.89Å; R36-N449 PolarHBondContact NH2-O 3.46Å; R36-N449 PolarHBondContact NH2-OD1 3.45Å; R36-N449 VanDerWaalsContact NH2-OD1 3.07Å; R36-S452 VanDerWaalsContact CZ-OG 3.29Å; R36-T453 HydrophobicContact CB-CG2 4.38Å; R36-T453 PolarHBondContact NE-OG1 3.15Å; R36-T453 PolarHBondContact NH2-OG1 3.43Å; R36-T453 WeakPolarHBondContact O-CG2 3.39Å; R36-T453 PolarHBondContact O-OG1 3.33Å; R36-S456 WeakPolarHBondContact CG-OG 3.48Å
37A96.7Very high96.3Very high40 Ų4039.2 Ų39.233%0.33125%0.253SS..Hα-helixtrans-69.2-46.2171.200000110.4I33 L34 L39 G40 L45I33-A37 WeakPolarHBondContact O-CB 3.33Å; I33-A37 PolarHBondContact O-N 3.27Å; L34-A37 PolarHBondContact O-N 3.04Å; A37-L39 VanDerWaalsContact C-N 3.33Å; A37-L39 PolarHBondContact O-N 3.24Å; A37-G40 PolarHBondContact O-N 3.16Å; A37-G40 VanDerWaalsContact O-N 3.15Å; A37-L45 HydrophobicContact CB-CD2 4.05Å
38E97.4Very high96.1Very high2 Ų241.4 Ų41.41%0.00926%0.264CS..Hα-helixtrans-56-49.4173.8-171.664.6-16100110.9L34 I35 G40 A44 L45 I46 Y52L34-E38 PolarHBondContact O-N 3.13Å; I35-E38 PolarHBondContact O-N 3.44Å; E38-G40 PolarHBondContact O-N 3.41Å; E38-A44 VanDerWaalsContact OE1-CA 3.26Å; E38-A44 WeakPolarHBondContact OE1-CA 3.3Å; E38-L45 PolarHBondContact OE1-N 3.41Å; E38-L45 VanDerWaalsContact OE2-CB 3.32Å; E38-L45 WeakPolarHBondContact OE2-CB 3.4Å; E38-L45 PolarHBondContact OE2-N 2.89Å; E38-I46 HydrophobicContact CB-CD1 4.23Å; E38-I46 HydrophobicContact CG-CD1 4.29Å; E38-I46 WeakPolarHBondContact OE2-CB 3.48Å; E38-I46 WeakPolarHBondContact OE2-CD1 3.35Å; E38-I46 WeakPolarHBondContact OE2-CG1 3.41Å; E38-I46 PolarHBondContact OE2-N 3.39Å; E38-Y52 HydrophobicContact CB-CD2 4.14Å; E38-Y52 HydrophobicContact CB-CE2 4.27Å; E38-Y52 HydrophobicContact CG-CD2 3.82Å; E38-Y52 HydrophobicContact CG-CE2 4.14Å
39L97Very high95.9Very high1 Ų145.7 Ų45.71%0.00529%0.287CS..THydrogen-bonded Turntrans-84.78.1-177.8-60.1168.9000113.7I35 A37 H41 Y52 Y369 S439 Y441 N449I35-L39 HydrophobicContact CG2-CD1 3.92Å; I35-L39 WeakPolarHBondContact O-CB 3.32Å; I35-L39 WeakPolarHBondContact O-CG 3.43Å; I35-L39 PolarHBondContact O-N 3Å; A37-L39 VanDerWaalsContact C-N 3.33Å; A37-L39 PolarHBondContact O-N 3.24Å; L39-H41 VanDerWaalsContact C-N 3.28Å; L39-H41 PolarHBondContact O-N 2.86Å; L39-Y52 HydrophobicContact CG-CE2 4.42Å; L39-Y369 WeakPolarHBondContact CD1-OH 3.33Å; L39-S439 WeakPolarHBondContact CD2-O 3.43Å; L39-Y441 HydrophobicContact CB-CE1 4.04Å; L39-Y441 HydrophobicContact CD2-CD1 3.8Å; L39-Y441 HydrophobicContact CD2-CE1 3.98Å; L39-Y441 VanDerWaalsContact O-CE1 3.28Å; L39-Y441 WeakPolarHBondContact O-CE1 3.31Å; L39-Y441 PolarHBondContact O-OH 2.87Å; L39-N449 WeakPolarHBondContact O-CB 3.48Å
40G95.4Very high95.9Very high16 Ų1647 Ų4717%0.16529%0.292CS..THydrogen-bonded Turntrans-70.2-26.1-176.800000113.4R36 A37 E38 I450R36-G40 WeakPolarHBondContact O-CA 3.49Å; R36-G40 PolarHBondContact O-N 2.9Å; A37-G40 PolarHBondContact O-N 3.16Å; A37-G40 VanDerWaalsContact O-N 3.15Å; E38-G40 PolarHBondContact O-N 3.41Å; G40-I450 WeakPolarHBondContact O-CG1 3.46Å
41H93.1Very high95.8Very high90 Ų9048.1 Ų48.142%0.41729%0.292SS..SBendtrans-145.8159.1173.357.862000109.1L39 Y441L39-H41 VanDerWaalsContact C-N 3.28Å; L39-H41 PolarHBondContact O-N 2.86Å; H41-Y441 WeakPolarHBondContact CA-OH 3.42Å
42P94.2Very high95.7Very high50 Ų5047.1 Ų47.133%0.32529%0.286SS..SBendtrans-59.4150.9167.4-2232.7000112.1Y441 T446P42-Y441 HydrophobicContact CG-CD2 4.37Å; P42-Y441 HydrophobicContact CG-CE2 3.8Å; P42-T446 HydrophobicContact CG-CG2 4.5Å; P42-T446 VanDerWaalsContact CG-OG1 3.24Å; P42-T446 WeakPolarHBondContact CG-OG1 3.18Å
43G92.2Very high95.7Very high27 Ų2747.9 Ų47.928%0.27829%0.289SS..SBendtrans94.3158.8-176.400000113.5D440G43-D440 WeakPolarHBondContact CA-OD2 3.4Å; G43-D440 VanDerWaalsContact N-CG 3.33Å; G43-D440 PolarHBondContact N-OD1 3.22Å; G43-D440 PolarHBondContact N-OD2 2.79Å
44A89.5Confident95.7Very high59 Ų5946.4 Ų46.449%0.48828%0.281SS..  trans-83.5117.9-176.200000112.5E38E38-A44 VanDerWaalsContact OE1-CA 3.26Å; E38-A44 WeakPolarHBondContact OE1-CA 3.3Å
45L94.3Very high95.7Very high102 Ų10243.3 Ų43.353%0.53427%0.265SS..SBendtrans-87.1-44.5175.1173.671.3000111.1A37 E38 G47A37-L45 HydrophobicContact CB-CD2 4.05Å; E38-L45 PolarHBondContact OE1-N 3.41Å; E38-L45 VanDerWaalsContact OE2-CB 3.32Å; E38-L45 WeakPolarHBondContact OE2-CB 3.4Å; E38-L45 PolarHBondContact OE2-N 2.89Å; L45-G47 VanDerWaalsContact C-N 3.34Å
46I95.6Very high95.7Very high58 Ų5844.3 Ų44.330%0.29727%0.272SS..SBendtrans-69.5-35.4175.6-70.2161.4000110.5E38 D48 I51 I55E38-I46 HydrophobicContact CB-CD1 4.23Å; E38-I46 HydrophobicContact CG-CD1 4.29Å; E38-I46 WeakPolarHBondContact OE2-CB 3.48Å; E38-I46 WeakPolarHBondContact OE2-CD1 3.35Å; E38-I46 WeakPolarHBondContact OE2-CG1 3.41Å; E38-I46 PolarHBondContact OE2-N 3.39Å; I46-D48 VanDerWaalsContact C-N 3.27Å; I46-D48 HydrophobicContact CG2-CB 4.36Å; I46-D48 PolarHBondContact O-N 3.02Å; I46-I51 HydrophobicContact CG2-CB 3.91Å; I46-I51 HydrophobicContact CG2-CG2 3.8Å; I46-I55 HydrophobicContact CD1-CD1 4.02Å
47G95Very high95.8Very high62 Ų6244 Ų4464%0.63927%0.271SS*.SBendtrans777.9-178.600000114.9L45L45-G47 VanDerWaalsContact C-N 3.34Å
48D95.1Very high95.9Very high74 Ų7442.5 Ų42.540%0.39626%0.259SS..  trans-146.3112.3176.7-173.1-30000110.6I46 Q50 I51 Y52I46-D48 VanDerWaalsContact C-N 3.27Å; I46-D48 HydrophobicContact CG2-CB 4.36Å; I46-D48 PolarHBondContact O-N 3.02Å; D48-Q50 VanDerWaalsContact C-N 3.3Å; D48-Q50 PolarHBondContact O-N 3.38Å; D48-Q50 WeakPolarHBondContact OD1-CA 3.34Å; D48-Q50 WeakPolarHBondContact OD1-CB 3.35Å; D48-Q50 PolarHBondContact OD1-N 3.07Å; D48-I51 HydrophobicContact CB-CB 4.16Å; D48-I51 HydrophobicContact CB-CD1 3.83Å; D48-I51 HydrophobicContact CB-CG1 3.92Å; D48-I51 PolarHBondContact O-N 3.36Å; D48-I51 PolarHBondContact OD1-N 2.99Å; D48-Y52 PolarHBondContact O-N 3.2Å
49D95.2Very high95.9Very high91 Ų9143.5 Ų43.549%0.48726%0.264SS..Hα-helixtrans-66.6-29.5-178.3-63.1-20.4000112.9Y52 N53 S439D49-Y52 WeakPolarHBondContact O-CB 3.46Å; D49-Y52 PolarHBondContact O-N 3.28Å; D49-N53 VanDerWaalsContact O-CG 3.29Å; D49-N53 PolarHBondContact O-N 3.29Å; D49-N53 PolarHBondContact O-ND2 2.87Å; D49-S439 WeakPolarHBondContact OD1-CB 3.27Å; D49-S439 PolarHBondContact OD1-OG 3Å
50Q96.2Very high96Very high47 Ų4744.2 Ų44.222%0.2227%0.27CS..Hα-helixtrans-70.1-40.9177.2175.161.71100110.5D48 Y52 N53 V54 N118 G119 H136D48-Q50 VanDerWaalsContact C-N 3.3Å; D48-Q50 PolarHBondContact O-N 3.38Å; D48-Q50 WeakPolarHBondContact OD1-CA 3.34Å; D48-Q50 WeakPolarHBondContact OD1-CB 3.35Å; D48-Q50 PolarHBondContact OD1-N 3.07Å; Q50-Y52 VanDerWaalsContact C-N 3.29Å; Q50-Y52 PolarHBondContact O-N 3.4Å; Q50-N53 PolarHBondContact O-N 2.99Å; Q50-N53 VanDerWaalsContact O-N 3.14Å; Q50-V54 HydrophobicContact CG-CG2 4.48Å; Q50-V54 VanDerWaalsContact O-CG2 3.28Å; Q50-V54 WeakPolarHBondContact O-CG2 3.33Å; Q50-V54 PolarHBondContact O-N 3.45Å; Q50-N118 HydrophobicContact CG-CB 4.14Å; Q50-N118 WeakPolarHBondContact CG-O 3.2Å; Q50-N118 PolarHBondContact NE2-O 2.87Å; Q50-G119 PolarHBondContact NE2-O 2.88Å; Q50-H136 PolarHBondContact NE2-NE2 3.47Å; Q50-H136 VanDerWaalsContact NE2-NE2 3.16Å
51I97Very high96.1Very high82 Ų8243.6 Ų43.642%0.42126%0.263SS..Hα-helixtrans-59.6-44.1173.7-65179.6000109.9I46 D48 N53 V54 I55I46-I51 HydrophobicContact CG2-CB 3.91Å; I46-I51 HydrophobicContact CG2-CG2 3.8Å; D48-I51 HydrophobicContact CB-CB 4.16Å; D48-I51 HydrophobicContact CB-CD1 3.83Å; D48-I51 HydrophobicContact CB-CG1 3.92Å; D48-I51 PolarHBondContact O-N 3.36Å; D48-I51 PolarHBondContact OD1-N 2.99Å; I51-N53 VanDerWaalsContact C-N 3.34Å; I51-N53 PolarHBondContact O-N 3.47Å; I51-V54 PolarHBondContact O-N 2.69Å; I51-I55 HydrophobicContact CG2-CD1 3.9Å; I51-I55 HydrophobicContact CG2-CG1 4.45Å; I51-I55 VanDerWaalsContact O-CG1 3.28Å; I51-I55 WeakPolarHBondContact O-CG1 3.48Å; I51-I55 PolarHBondContact O-N 3.37Å
52Y97.3Very high96.4Very high5 Ų539.3 Ų39.32%0.0224%0.243CC..Hα-helixtrans-56.8-46.9173.6172.3-95.7000112I35 E38 L39 D48 D49 Q50 V54 I55 V56 Y438I35-Y52 HydrophobicContact CG2-CE2 4.02Å; E38-Y52 HydrophobicContact CB-CD2 4.14Å; E38-Y52 HydrophobicContact CB-CE2 4.27Å; E38-Y52 HydrophobicContact CG-CD2 3.82Å; E38-Y52 HydrophobicContact CG-CE2 4.14Å; L39-Y52 HydrophobicContact CG-CE2 4.42Å; D48-Y52 PolarHBondContact O-N 3.2Å; D49-Y52 WeakPolarHBondContact O-CB 3.46Å; D49-Y52 PolarHBondContact O-N 3.28Å; Q50-Y52 VanDerWaalsContact C-N 3.29Å; Q50-Y52 PolarHBondContact O-N 3.4Å; Y52-V54 VanDerWaalsContact C-N 3.34Å; Y52-V54 PolarHBondContact O-N 3.49Å; Y52-I55 PolarHBondContact O-N 2.94Å; Y52-V56 HydrophobicContact CD1-CG2 4.23Å; Y52-V56 HydrophobicContact CD2-CG2 4.43Å; Y52-V56 HydrophobicContact CE1-CG2 3.83Å; Y52-V56 HydrophobicContact CE2-CG2 4.05Å; Y52-V56 WeakPolarHBondContact O-CG2 3.37Å; Y52-V56 PolarHBondContact O-N 3.35Å; Y52-Y438 VanDerWaalsContact CE1-O 3.29Å; Y52-Y438 WeakPolarHBondContact CE1-O 3.38Å; Y52-Y438 VanDerWaalsContact CZ-O 3.32Å; Y52-Y438 PolarHBondContact OH-O 3.24Å
53N97.3Very high96.6Very high41 Ų4138.7 Ų38.722%0.21924%0.236CC..Hα-helixtrans-63.7-37.3178.4-72.2-33000113D49 Q50 I51 V56 T57D49-N53 VanDerWaalsContact O-CG 3.29Å; D49-N53 PolarHBondContact O-N 3.29Å; D49-N53 PolarHBondContact O-ND2 2.87Å; Q50-N53 PolarHBondContact O-N 2.99Å; Q50-N53 VanDerWaalsContact O-N 3.14Å; I51-N53 VanDerWaalsContact C-N 3.34Å; I51-N53 PolarHBondContact O-N 3.47Å; N53-V56 PolarHBondContact O-N 3.16Å; N53-T57 VanDerWaalsContact O-CB 3.29Å; N53-T57 WeakPolarHBondContact O-CB 3.27Å; N53-T57 PolarHBondContact O-N 3.18Å; N53-T57 PolarHBondContact O-OG1 3Å
54V98.2Very high96.9Very high13 Ų1337.6 Ų37.68%0.07922%0.224CC..Hα-helixtrans-63.9-43.6174.2172.90000110.6Q50 I51 Y52 T57 A58 N118Q50-V54 HydrophobicContact CG-CG2 4.48Å; Q50-V54 VanDerWaalsContact O-CG2 3.28Å; Q50-V54 WeakPolarHBondContact O-CG2 3.33Å; Q50-V54 PolarHBondContact O-N 3.45Å; I51-V54 PolarHBondContact O-N 2.69Å; Y52-V54 VanDerWaalsContact C-N 3.34Å; Y52-V54 PolarHBondContact O-N 3.49Å; V54-T57 PolarHBondContact O-N 3.38Å; V54-A58 WeakPolarHBondContact O-CB 3.41Å; V54-A58 PolarHBondContact O-N 2.93Å; V54-N118 WeakPolarHBondContact CG2-O 3.35Å
55I98.2Very high97.3Very high20 Ų2035.3 Ų35.310%0.10320%0.203CC..Hα-helixtrans-62-47.5176.9-68.8168.5000110.6L31 L34 I35 I46 I51 Y52 T57 A58 H59L31-I55 HydrophobicContact CB-CG2 3.96Å; L31-I55 HydrophobicContact CD2-CB 4.5Å; L31-I55 HydrophobicContact CD2-CG1 4.35Å; L31-I55 HydrophobicContact CD2-CG2 3.95Å; L34-I55 HydrophobicContact CB-CD1 4.4Å; L34-I55 HydrophobicContact CB-CG2 4.29Å; L34-I55 HydrophobicContact CD1-CD1 4.18Å; I35-I55 HydrophobicContact CD1-CG2 4.08Å; I35-I55 HydrophobicContact CG1-CG2 3.66Å; I46-I55 HydrophobicContact CD1-CD1 4.02Å; I51-I55 HydrophobicContact CG2-CD1 3.9Å; I51-I55 HydrophobicContact CG2-CG1 4.45Å; I51-I55 VanDerWaalsContact O-CG1 3.28Å; I51-I55 WeakPolarHBondContact O-CG1 3.48Å; I51-I55 PolarHBondContact O-N 3.37Å; Y52-I55 PolarHBondContact O-N 2.94Å; I55-T57 VanDerWaalsContact C-N 3.34Å; I55-T57 PolarHBondContact O-N 3.17Å; I55-A58 PolarHBondContact O-N 2.67Å; I55-H59 VanDerWaalsContact O-CB 3.25Å; I55-H59 WeakPolarHBondContact O-CB 3.45Å; I55-H59 PolarHBondContact O-N 3Å
56V98.1Very high97.5Very high40 Ų4030.5 Ų30.524%0.24218%0.177CC..Hα-helixtrans-61.6-42.6177.9173.10000111.2I35 Y52 N53 A60I35-V56 HydrophobicContact CD1-CB 4.38Å; I35-V56 HydrophobicContact CD1-CG2 3.78Å; I35-V56 HydrophobicContact CG1-CG2 3.85Å; I35-V56 HydrophobicContact CG2-CG2 4.48Å; Y52-V56 HydrophobicContact CD1-CG2 4.23Å; Y52-V56 HydrophobicContact CD2-CG2 4.43Å; Y52-V56 HydrophobicContact CE1-CG2 3.83Å; Y52-V56 HydrophobicContact CE2-CG2 4.05Å; Y52-V56 WeakPolarHBondContact O-CG2 3.37Å; Y52-V56 PolarHBondContact O-N 3.35Å; N53-V56 PolarHBondContact O-N 3.16Å; V56-A60 PolarHBondContact O-N 2.89Å
57T98.3Very high97.6Very high4 Ų428.9 Ų28.93%0.02517%0.169CC..Hα-helixtrans-63.6-50.7178.5-58.10000111.2N53 V54 I55 H59 A60 F61 A120 G123N53-T57 VanDerWaalsContact O-CB 3.29Å; N53-T57 WeakPolarHBondContact O-CB 3.27Å; N53-T57 PolarHBondContact O-N 3.18Å; N53-T57 PolarHBondContact O-OG1 3Å; V54-T57 PolarHBondContact O-N 3.38Å; I55-T57 VanDerWaalsContact C-N 3.34Å; I55-T57 PolarHBondContact O-N 3.17Å; T57-H59 PolarHBondContact O-N 2.94Å; T57-A60 PolarHBondContact O-N 3.38Å; T57-F61 HydrophobicContact CG2-CD2 3.76Å; T57-F61 HydrophobicContact CG2-CE2 3.51Å; T57-F61 VanDerWaalsContact O-CD2 3.32Å; T57-F61 WeakPolarHBondContact O-CD2 3.38Å; T57-F61 PolarHBondContact O-N 3.49Å; T57-F61 VanDerWaalsContact O-N 3.15Å; T57-A120 VanDerWaalsContact CB-O 3.28Å; T57-A120 WeakPolarHBondContact CB-O 3.3Å; T57-A120 WeakPolarHBondContact CG2-O 3.31Å; T57-A120 PolarHBondContact OG1-O 2.85Å; T57-G123 VanDerWaalsContact OG1-CA 3.23Å; T57-G123 WeakPolarHBondContact OG1-CA 3.49Å; T57-G123 PolarHBondContact OG1-N 3.44Å
58A98.6Very high97.8Very high9 Ų926.1 Ų26.17%0.07414%0.14CC..Hα-helixtrans-63.5-41178.600000112.1L31 V54 I55 A60 F61 I62L31-A58 HydrophobicContact CD1-CB 3.79Å; V54-A58 WeakPolarHBondContact O-CB 3.41Å; V54-A58 PolarHBondContact O-N 2.93Å; I55-A58 PolarHBondContact O-N 2.67Å; A58-A60 PolarHBondContact O-N 3.41Å; A58-F61 PolarHBondContact O-N 3.33Å; A58-I62 VanDerWaalsContact O-CB 3.31Å; A58-I62 WeakPolarHBondContact O-CB 3.41Å; A58-I62 WeakPolarHBondContact O-CG1 3.23Å; A58-I62 PolarHBondContact O-N 3.03Å
59H98.4Very high97.9Very high23 Ų2323 Ų2311%0.10612%0.123CC..Hα-helixtrans-54.3-53.6176.1169.171.6000111.1G28 L31 I35 I55 T57 I62 M63G28-H59 PolarHBondContact O-ND1 2.92Å; L31-H59 HydrophobicContact CB-CB 3.91Å; L31-H59 HydrophobicContact CD1-CB 4.32Å; I35-H59 HydrophobicContact CD1-CB 4Å; I55-H59 VanDerWaalsContact O-CB 3.25Å; I55-H59 WeakPolarHBondContact O-CB 3.45Å; I55-H59 PolarHBondContact O-N 3Å; T57-H59 PolarHBondContact O-N 2.94Å; H59-I62 PolarHBondContact O-N 2.78Å; H59-M63 WeakPolarHBondContact O-CB 3.32Å; H59-M63 VanDerWaalsContact O-CG 3.22Å; H59-M63 WeakPolarHBondContact O-CG 3.34Å; H59-M63 PolarHBondContact O-N 3.43Å
60A98.3Very high98.1Very high16 Ų1618.9 Ų18.913%0.13210%0.101CC..Hα-helixtrans-63.8-45.2-177.500000112.2V56 T57 A58 I62 M63 I64 W124V56-A60 PolarHBondContact O-N 2.89Å; T57-A60 PolarHBondContact O-N 3.38Å; A58-A60 PolarHBondContact O-N 3.41Å; A60-I62 PolarHBondContact O-N 2.84Å; A60-M63 PolarHBondContact O-N 3.07Å; A60-I64 WeakPolarHBondContact O-CB 3.42Å; A60-I64 WeakPolarHBondContact O-CG1 3.46Å; A60-I64 PolarHBondContact O-N 3.03Å; A60-W124 HydrophobicContact CB-CB 3.6Å; A60-W124 HydrophobicContact CB-CG 3.73Å
61F98.5Very high98.2Very high3 Ų317.2 Ų17.21%0.0139%0.094CC..Hα-helixtrans-60.7-44.3176.5-77.7-48.6000112.8T57 A58 F65 L110 W124 V126 L148T57-F61 HydrophobicContact CG2-CD2 3.76Å; T57-F61 HydrophobicContact CG2-CE2 3.51Å; T57-F61 VanDerWaalsContact O-CD2 3.32Å; T57-F61 WeakPolarHBondContact O-CD2 3.38Å; T57-F61 PolarHBondContact O-N 3.49Å; T57-F61 VanDerWaalsContact O-N 3.15Å; A58-F61 PolarHBondContact O-N 3.33Å; F61-F65 AromaticContact CD1-CD2 3.8Å; F61-F65 HydrophobicContact CD1-CD2 3.8Å; F61-F65 AromaticContact CD1-CE2 3.75Å; F61-F65 HydrophobicContact CD1-CE2 3.75Å; F61-F65 HydrophobicContact CE1-CE2 4.11Å; F61-F65 PolarHBondContact O-N 3Å; F61-L110 HydrophobicContact CB-CD1 4.11Å; F61-L110 HydrophobicContact CB-CD2 3.58Å; F61-L110 HydrophobicContact CD2-CD1 3.79Å; F61-L110 HydrophobicContact CG-CD1 4.22Å; F61-W124 HydrophobicContact CD1-CB 4.13Å; F61-W124 HydrophobicContact CE1-CB 3.97Å; F61-W124 WeakPolarHBondContact CE1-O 3.43Å; F61-W124 HydrophobicContact CE2-CB 4.42Å; F61-W124 HydrophobicContact CG-CB 4.4Å; F61-W124 HydrophobicContact CZ-CB 4.14Å; F61-W124 VanDerWaalsContact CZ-O 3.23Å; F61-W124 WeakPolarHBondContact CZ-O 3.38Å; F61-V126 HydrophobicContact CE2-CG2 4.25Å; F61-V126 HydrophobicContact CZ-CG2 3.54Å; F61-L148 HydrophobicContact CD1-CD2 3.82Å; F61-L148 HydrophobicContact CE1-CD1 3.78Å; F61-L148 HydrophobicContact CE1-CD2 3.73Å; F61-L148 HydrophobicContact CE1-CG 4.27Å; F61-L148 HydrophobicContact CZ-CD1 3.9Å; F61-L148 HydrophobicContact CZ-CD2 4.5Å
62I98.7Very high98.2Very high0 Ų013.3 Ų13.30%07%0.074CC..Iπ-helixtrans-63-46.6179.2-70.1172.3000110.9A24 V27 L31 A58 H59 A60 I64 F66 M67 L107 L110 L111A24-I62 HydrophobicContact CB-CG2 4.22Å; A24-I62 WeakPolarHBondContact O-CG2 3.4Å; V27-I62 HydrophobicContact CB-CD1 4.42Å; V27-I62 HydrophobicContact CG1-CD1 3.69Å; L31-I62 HydrophobicContact CD1-CD1 3.85Å; A58-I62 VanDerWaalsContact O-CB 3.31Å; A58-I62 WeakPolarHBondContact O-CB 3.41Å; A58-I62 WeakPolarHBondContact O-CG1 3.23Å; A58-I62 PolarHBondContact O-N 3.03Å; H59-I62 PolarHBondContact O-N 2.78Å; A60-I62 PolarHBondContact O-N 2.84Å; I62-I64 PolarHBondContact O-N 3.41Å; I62-F66 CarbonylContact O-C 3.51Å; I62-F66 WeakPolarHBondContact O-CA 3.41Å; I62-F66 WeakPolarHBondContact O-CB 3.25Å; I62-F66 PolarHBondContact O-N 3.45Å; I62-M67 PolarHBondContact O-N 2.9Å; I62-L107 HydrophobicContact CD1-CD1 4.45Å; I62-L107 HydrophobicContact CG1-CD1 4.03Å; I62-L110 HydrophobicContact CD1-CD2 4.48Å; I62-L110 HydrophobicContact CG1-CD2 3.68Å; I62-L111 HydrophobicContact CD1-CD2 4.07Å
63M98.4Very high98.2Very high36 Ų3613.8 Ų13.818%0.1778%0.076CC..Iπ-helixtrans-66.4-40.4-177.6-66.3-60.2-70.900112.3H59 A60 M67 V68H59-M63 WeakPolarHBondContact O-CB 3.32Å; H59-M63 VanDerWaalsContact O-CG 3.22Å; H59-M63 WeakPolarHBondContact O-CG 3.34Å; H59-M63 PolarHBondContact O-N 3.43Å; A60-M63 PolarHBondContact O-N 3.07Å; M63-M67 HydrophobicContact CE-CE 4.42Å; M63-M67 HydrophobicContact CE-SD 3.3Å; M63-M67 WeakPolarHBondContact CE-SD 3.43Å; M63-M67 HydrophobicContact SD-SD 3.73Å; M63-V68 WeakPolarHBondContact O-CB 3.36Å; M63-V68 WeakPolarHBondContact O-CG2 3.22Å; M63-V68 PolarHBondContact O-N 3.44Å
64I97.9Very high98.3Very high5 Ų512 Ų123%0.0267%0.068CC..Iπ-helixtrans-75.5-63.8-178.4-66.4168.9000110.9A60 I62 M69 W124 E240 L244 F375 L379A60-I64 WeakPolarHBondContact O-CB 3.42Å; A60-I64 WeakPolarHBondContact O-CG1 3.46Å; A60-I64 PolarHBondContact O-N 3.03Å; I62-I64 PolarHBondContact O-N 3.41Å; I64-M69 WeakPolarHBondContact O-CB 3.45Å; I64-M69 PolarHBondContact O-N 3.44Å; I64-W124 HydrophobicContact CD1-CD2 4.23Å; I64-W124 HydrophobicContact CD1-CE3 3.97Å; I64-W124 HydrophobicContact CD1-CH2 4.5Å; I64-W124 HydrophobicContact CD1-CZ3 4.09Å; I64-E240 HydrophobicContact CG2-CG 4.37Å; I64-L244 HydrophobicContact CG1-CD1 4.47Å; I64-L244 HydrophobicContact CG2-CD1 4.12Å; I64-L244 HydrophobicContact CG2-CD2 4.42Å; I64-F375 HydrophobicContact CD1-CE1 4.35Å; I64-F375 HydrophobicContact CD1-CZ 4.14Å; I64-L379 HydrophobicContact CG1-CD1 4.44Å
65F98.4Very high98.3Very high11 Ų1111.4 Ų11.45%0.0486%0.064CC..Iπ-helixtrans-86.6-20.6-167.7-64.9-72.6000113.9F61 M69 P70 L148 F236F61-F65 AromaticContact CD1-CD2 3.8Å; F61-F65 HydrophobicContact CD1-CD2 3.8Å; F61-F65 AromaticContact CD1-CE2 3.75Å; F61-F65 HydrophobicContact CD1-CE2 3.75Å; F61-F65 HydrophobicContact CE1-CE2 4.11Å; F61-F65 PolarHBondContact O-N 3Å; F65-M69 HydrophobicContact CD1-CE 4.03Å; F65-M69 HydrophobicContact CE1-CE 4.3Å; F65-P70 VanDerWaalsContact O-CD 3.26Å; F65-P70 WeakPolarHBondContact O-CD 3.2Å; F65-P70 WeakPolarHBondContact O-CG 3.37Å; F65-L148 HydrophobicContact CD2-CD2 3.87Å; F65-L148 HydrophobicContact CE2-CD2 3.8Å; F65-L148 HydrophobicContact CG-CD2 4.43Å; F65-L148 HydrophobicContact CZ-CD2 4.3Å; F65-F236 AromaticContact CE1-CZ 3.79Å; F65-F236 HydrophobicContact CE1-CZ 3.79Å; F65-F236 HydrophobicContact CZ-CE1 4.04Å; F65-F236 AromaticContact CZ-CZ 3.78Å; F65-F236 HydrophobicContact CZ-CZ 3.78Å
66F98.7Very high98.3Very high0 Ų010.5 Ų10.50%06%0.059CC..Iπ-helixtrans-117-16-172.5-60.2-74.8000114.4F20 G21 A24 I62 L103 A106 L107 L110 A151F20-F66 HydrophobicContact CE1-CB 4.13Å; F20-F66 AromaticContact CE1-CD1 3.9Å; F20-F66 HydrophobicContact CE1-CD1 3.9Å; F20-F66 WeakPolarHBondContact CE1-O 3.31Å; F20-F66 HydrophobicContact CZ-CB 4.4Å; F20-F66 AromaticContact CZ-CD1 3.68Å; F20-F66 HydrophobicContact CZ-CD1 3.68Å; F20-F66 HydrophobicContact CZ-CE1 4.48Å; F20-F66 HydrophobicContact CZ-CG 4.49Å; G21-F66 WeakPolarHBondContact CA-O 3.5Å; A24-F66 HydrophobicContact CB-CB 3.86Å; A24-F66 VanDerWaalsContact CB-O 3.27Å; A24-F66 WeakPolarHBondContact CB-O 3.22Å; I62-F66 CarbonylContact O-C 3.51Å; I62-F66 WeakPolarHBondContact O-CA 3.41Å; I62-F66 WeakPolarHBondContact O-CB 3.25Å; I62-F66 PolarHBondContact O-N 3.45Å; F66-L103 HydrophobicContact CE1-CD2 4.44Å; F66-A106 HydrophobicContact CE1-CB 3.74Å; F66-A106 HydrophobicContact CZ-CB 3.91Å; F66-L107 HydrophobicContact CB-CD1 4.27Å; F66-L107 HydrophobicContact CD1-CB 3.78Å; F66-L107 HydrophobicContact CD1-CD1 4.23Å; F66-L107 HydrophobicContact CD1-CG 4.41Å; F66-L107 HydrophobicContact CD2-CD1 4.05Å; F66-L107 HydrophobicContact CE1-CB 3.76Å; F66-L107 HydrophobicContact CE2-CD1 4.46Å; F66-L107 HydrophobicContact CG-CB 4.34Å; F66-L107 HydrophobicContact CG-CD1 3.9Å; F66-L107 HydrophobicContact CZ-CB 4.33Å; F66-L110 HydrophobicContact CD2-CD2 3.99Å; F66-L110 HydrophobicContact CE2-CD2 3.69Å; F66-A151 HydrophobicContact CE1-CB 4.37Å; F66-A151 HydrophobicContact CZ-CB 4.19Å
67M98.5Very high98.3Very high24 Ų248.6 Ų8.612%0.1185%0.048CC..Iπ-helixtrans-110.5-72.6172.9-178.9-157.6168.600112I62 M63 P70 I71 V384I62-M67 PolarHBondContact O-N 2.9Å; M63-M67 HydrophobicContact CE-CE 4.42Å; M63-M67 HydrophobicContact CE-SD 3.3Å; M63-M67 WeakPolarHBondContact CE-SD 3.43Å; M63-M67 HydrophobicContact SD-SD 3.73Å; M67-P70 WeakPolarHBondContact O-CD 3.4Å; M67-I71 HydrophobicContact CG-CD1 3.91Å; M67-I71 WeakPolarHBondContact O-CB 3.42Å; M67-I71 VanDerWaalsContact O-CG1 3.23Å; M67-I71 WeakPolarHBondContact O-CG1 3.39Å; M67-I71 PolarHBondContact O-N 3.5Å; M67-V384 HydrophobicContact CE-CG1 4.23Å; M67-V384 HydrophobicContact CE-CG2 3.94Å
68V98.5Very high98.3Very high4 Ų48.4 Ų8.42%0.0245%0.047CC..Iπ-helixtrans-65.1-52.5-166.6176.10000110.9M63 I71 M72 L244 A383 V384 I387M63-V68 WeakPolarHBondContact O-CB 3.36Å; M63-V68 WeakPolarHBondContact O-CG2 3.22Å; M63-V68 PolarHBondContact O-N 3.44Å; V68-I71 PolarHBondContact O-N 3.43Å; V68-M72 HydrophobicContact CG1-CG 3.95Å; V68-M72 VanDerWaalsContact O-CB 3.25Å; V68-M72 WeakPolarHBondContact O-CB 3.19Å; V68-M72 WeakPolarHBondContact O-CG 3.27Å; V68-M72 PolarHBondContact O-N 3.12Å; V68-L244 HydrophobicContact CB-CD2 4.06Å; V68-L244 HydrophobicContact CG1-CB 4.1Å; V68-L244 HydrophobicContact CG1-CD2 3.76Å; V68-L244 HydrophobicContact CG1-CG 4.45Å; V68-A383 HydrophobicContact CG1-CB 3.79Å; V68-V384 HydrophobicContact CG2-CG2 4.26Å; V68-I387 HydrophobicContact CG1-CD1 4.42Å
69M97.7Very high98.3Very high9 Ų98.6 Ų8.64%0.0445%0.045CC..Hα-helixtrans-60.7-50.2179.8177.4-165.8-60.900112.3I64 F65 I71 M72 I73 S155 L193 E240 I243 L244I64-M69 WeakPolarHBondContact O-CB 3.45Å; I64-M69 PolarHBondContact O-N 3.44Å; F65-M69 HydrophobicContact CD1-CE 4.03Å; F65-M69 HydrophobicContact CE1-CE 4.3Å; M69-I71 VanDerWaalsContact C-N 3.33Å; M69-I71 PolarHBondContact O-N 2.99Å; M69-M72 PolarHBondContact O-N 2.93Å; M69-I73 HydrophobicContact CG-CD1 4.4Å; M69-I73 PolarHBondContact O-N 2.87Å; M69-S155 PolarHBondContact SD-OG 3.35Å; M69-S155 VanDerWaalsContact SD-OG 3.34Å; M69-L193 HydrophobicContact CE-CD2 4.09Å; M69-L193 HydrophobicContact SD-CD2 4.27Å; M69-E240 VanDerWaalsContact CE-CD 3.43Å; M69-E240 WeakPolarHBondContact CE-OE1 3.37Å; M69-E240 WeakPolarHBondContact CE-OE2 3.5Å; M69-I243 HydrophobicContact CE-CG2 4.19Å; M69-L244 HydrophobicContact CB-CD2 3.84Å
70P98.6Very high98.2Very high5 Ų57.5 Ų7.53%0.0324%0.04CC..Iπ-helixtrans-57.5-38.5175.8-3341.4000114.4Y17 F20 F65 M67 G74 G75 L103Y17-P70 HydrophobicContact CD1-CB 3.97Å; F20-P70 HydrophobicContact CD1-CB 4.27Å; F20-P70 HydrophobicContact CD1-CG 4.48Å; F20-P70 HydrophobicContact CE1-CG 4.33Å; F65-P70 VanDerWaalsContact O-CD 3.26Å; F65-P70 WeakPolarHBondContact O-CD 3.2Å; F65-P70 WeakPolarHBondContact O-CG 3.37Å; M67-P70 WeakPolarHBondContact O-CD 3.4Å; P70-G74 CarbonylContact O-C 3.56Å; P70-G74 VanDerWaalsContact O-C 3.26Å; P70-G74 WeakPolarHBondContact O-CA 3.46Å; P70-G74 PolarHBondContact O-N 2.82Å; P70-G75 PolarHBondContact O-N 3.4Å; P70-L103 HydrophobicContact CB-CD1 4.15Å; P70-L103 HydrophobicContact CG-CD1 3.9Å
71I98.7Very high98.2Very high12 Ų126.7 Ų6.76%0.0623%0.034CC..Iπ-helixtrans-73.6-46.7179.3-67.9172.2000111.2F18 M67 V68 M69 G75 F76 I387F18-I71 HydrophobicContact CD1-CG2 3.96Å; F18-I71 HydrophobicContact CE1-CG2 3.9Å; M67-I71 HydrophobicContact CG-CD1 3.91Å; M67-I71 WeakPolarHBondContact O-CB 3.42Å; M67-I71 VanDerWaalsContact O-CG1 3.23Å; M67-I71 WeakPolarHBondContact O-CG1 3.39Å; M67-I71 PolarHBondContact O-N 3.5Å; V68-I71 PolarHBondContact O-N 3.43Å; M69-I71 VanDerWaalsContact C-N 3.33Å; M69-I71 PolarHBondContact O-N 2.99Å; I71-G75 WeakPolarHBondContact O-CA 3.27Å; I71-G75 PolarHBondContact O-N 3.12Å; I71-F76 HydrophobicContact CG2-CD2 4.24Å; I71-F76 HydrophobicContact CG2-CE2 3.91Å; I71-F76 VanDerWaalsContact O-CD2 3.31Å; I71-F76 WeakPolarHBondContact O-CD2 3.45Å; I71-F76 PolarHBondContact O-N 3.21Å; I71-I387 HydrophobicContact CB-CD1 4.07Å; I71-I387 HydrophobicContact CD1-CD1 4.5Å; I71-I387 HydrophobicContact CG2-CB 4.31Å; I71-I387 HydrophobicContact CG2-CD1 3.83Å; I71-I387 HydrophobicContact CG2-CG1 3.83Å; I71-I387 HydrophobicContact CG2-CG2 3.57Å
72M97.8Very high98.1Very high0 Ų06.6 Ų6.60%03%0.033CC..Iπ-helixtrans-67.9-46-172.8-70.6-69-84.100113V68 M69 L244 P247 M251 I387V68-M72 HydrophobicContact CG1-CG 3.95Å; V68-M72 VanDerWaalsContact O-CB 3.25Å; V68-M72 WeakPolarHBondContact O-CB 3.19Å; V68-M72 WeakPolarHBondContact O-CG 3.27Å; V68-M72 PolarHBondContact O-N 3.12Å; M69-M72 PolarHBondContact O-N 2.93Å; M72-L244 WeakPolarHBondContact CE-O 3.37Å; M72-P247 HydrophobicContact CB-CB 4.39Å; M72-P247 HydrophobicContact CB-CG 4.44Å; M72-P247 HydrophobicContact CE-CB 4.11Å; M72-M251 HydrophobicContact CE-CE 3.75Å; M72-M251 HydrophobicContact SD-CE 3.33Å; M72-M251 WeakPolarHBondContact SD-CE 3.45Å; M72-I387 HydrophobicContact CG-CD1 3.92Å; M72-I387 HydrophobicContact CG-CG1 3.85Å; M72-I387 HydrophobicContact SD-CD1 4.01Å; M72-I387 HydrophobicContact SD-CG1 3.26Å; M72-I387 WeakPolarHBondContact SD-CG1 3.28Å
73I96.9Very high97.9Very high15 Ų156.7 Ų6.78%0.0773%0.034CC..Iπ-helixtrans-99.9-51.4-179-72166.5000110.4M69 G77 N78 F162 T189 L193 I243 P247M69-I73 HydrophobicContact CG-CD1 4.4Å; M69-I73 PolarHBondContact O-N 2.87Å; I73-G77 WeakPolarHBondContact O-CA 3.41Å; I73-G77 PolarHBondContact O-N 3.1Å; I73-N78 PolarHBondContact O-N 3.46Å; I73-F162 HydrophobicContact CG2-CD2 4.08Å; I73-F162 HydrophobicContact CG2-CE2 3.5Å; I73-F162 VanDerWaalsContact CG2-CE2 3.5Å; I73-F162 HydrophobicContact CG2-CZ 4.25Å; I73-F162 WeakPolarHBondContact O-CZ 3.12Å; I73-T189 HydrophobicContact CD1-CG2 3.2Å; I73-T189 HydrophobicContact CG1-CG2 3.92Å; I73-L193 HydrophobicContact CD1-CD1 3.66Å; I73-I243 HydrophobicContact CD1-CG2 3.86Å; I73-P247 HydrophobicContact CG1-CG 3.96Å
74G98.1Very high97.8Very high4 Ų45 Ų54%0.0413%0.026CC..Iπ-helixtrans-65-47-176.600000111.9Y17 P70 N78Y17-G74 VanDerWaalsContact CD2-C 3.43Å; Y17-G74 WeakPolarHBondContact CD2-O 3.3Å; Y17-G74 VanDerWaalsContact CG-CA 3.44Å; P70-G74 CarbonylContact O-C 3.56Å; P70-G74 VanDerWaalsContact O-C 3.26Å; P70-G74 WeakPolarHBondContact O-CA 3.46Å; P70-G74 PolarHBondContact O-N 2.82Å; G74-N78 WeakPolarHBondContact O-CB 3.34Å; G74-N78 PolarHBondContact O-ND2 3.3Å
75G98.5Very high97.7Very high0 Ų04.8 Ų4.80%02%0.024CC..Iπ-helixtrans-75.4-72.2-179.300000112G14 P70 I71 G77 W79G14-G75 WeakPolarHBondContact O-CA 3.31Å; P70-G75 PolarHBondContact O-N 3.4Å; I71-G75 WeakPolarHBondContact O-CA 3.27Å; I71-G75 PolarHBondContact O-N 3.12Å; G75-G77 PolarHBondContact O-N 3.02Å; G75-W79 PolarHBondContact O-N 2.93Å; G75-W79 VanDerWaalsContact O-N 3.1Å
76F98.7Very high97.4Very high0 Ų04.2 Ų4.20%02%0.022CC..Hα-helixtrans-64.9-40.8-177.2-70.6-74.5000112.9F18 I71 W79 L80 F182 M251 I387 F391 W394 F398F18-F76 HydrophobicContact CE1-CD1 4.37Å; F18-F76 AromaticContact CE1-CD2 3.83Å; F18-F76 HydrophobicContact CE1-CD2 3.83Å; F18-F76 HydrophobicContact CE1-CE1 4.29Å; F18-F76 AromaticContact CE1-CE2 3.75Å; F18-F76 HydrophobicContact CE1-CE2 3.75Å; F18-F76 HydrophobicContact CE1-CG 4.13Å; F18-F76 AromaticContact CE1-CZ 3.98Å; F18-F76 HydrophobicContact CE1-CZ 3.98Å; F18-F76 AromaticContact CZ-CD1 3.85Å; F18-F76 HydrophobicContact CZ-CD1 3.85Å; F18-F76 HydrophobicContact CZ-CD2 4.11Å; F18-F76 AromaticContact CZ-CE1 3.91Å; F18-F76 HydrophobicContact CZ-CE1 3.91Å; F18-F76 HydrophobicContact CZ-CE2 4.18Å; F18-F76 AromaticContact CZ-CG 3.93Å; F18-F76 HydrophobicContact CZ-CG 3.93Å; F18-F76 HydrophobicContact CZ-CZ 4.07Å; I71-F76 HydrophobicContact CG2-CD2 4.24Å; I71-F76 HydrophobicContact CG2-CE2 3.91Å; I71-F76 VanDerWaalsContact O-CD2 3.31Å; I71-F76 WeakPolarHBondContact O-CD2 3.45Å; I71-F76 PolarHBondContact O-N 3.21Å; F76-W79 PolarHBondContact O-N 3.32Å; F76-L80 HydrophobicContact CB-CD1 4.36Å; F76-L80 HydrophobicContact CD1-CD1 3.95Å; F76-L80 VanDerWaalsContact O-CB 3.3Å; F76-L80 WeakPolarHBondContact O-CB 3.42Å; F76-L80 WeakPolarHBondContact O-CG 3.37Å; F76-L80 PolarHBondContact O-N 3.22Å; F76-F182 HydrophobicContact CB-CE1 4.48Å; F76-F182 HydrophobicContact CB-CE2 4.15Å; F76-F182 HydrophobicContact CB-CZ 3.59Å; F76-M251 HydrophobicContact CB-SD 4.25Å; F76-M251 HydrophobicContact CD1-SD 3.66Å; F76-M251 HydrophobicContact CD2-CE 3.97Å; F76-M251 HydrophobicContact CD2-SD 3.49Å; F76-M251 WeakPolarHBondContact CD2-SD 3.41Å; F76-M251 HydrophobicContact CE1-SD 3.78Å; F76-M251 HydrophobicContact CE2-CE 4.03Å; F76-M251 HydrophobicContact CE2-SD 3.61Å; F76-M251 HydrophobicContact CG-SD 3.52Å; F76-M251 VanDerWaalsContact CG-SD 3.52Å; F76-M251 HydrophobicContact CZ-SD 3.76Å; F76-I387 HydrophobicContact CE2-CG2 4.39Å; F76-F391 HydrophobicContact CZ-CB 4.05Å; F76-F391 VanDerWaalsContact CZ-N 3.31Å; F76-W394 HydrophobicContact CD1-CE3 4.16Å; F76-W394 AromaticContact CE1-CE3 3.94Å; F76-W394 HydrophobicContact CE1-CE3 3.94Å; F76-F398 HydrophobicContact CD1-CE2 4.38Å; F76-F398 HydrophobicContact CD1-CZ 4Å; F76-F398 AromaticContact CE1-CE2 3.98Å; F76-F398 HydrophobicContact CE1-CE2 3.98Å; F76-F398 HydrophobicContact CE1-CZ 4.01Å
77G98.6Very high97.1Very high0 Ų04.2 Ų4.20%02%0.022CC..Hα-helixtrans-60.2-49.218000000111.5I73 G75 V81 F162I73-G77 WeakPolarHBondContact O-CA 3.41Å; I73-G77 PolarHBondContact O-N 3.1Å; G75-G77 PolarHBondContact O-N 3.02Å; G77-V81 WeakPolarHBondContact O-CB 3.45Å; G77-V81 VanDerWaalsContact O-CG2 3.27Å; G77-V81 WeakPolarHBondContact O-CG2 3.36Å; G77-V81 PolarHBondContact O-N 2.96Å; G77-F162 VanDerWaalsContact C-CE1 3.41Å
78N98.1Very high96.7Very high1 Ų14.2 Ų4.21%0.0052%0.024CC..Hα-helixtrans-65.3-41.3178.2-81.6-68000112.8H10 Y17 I73 G74 P82 N96H10-N78 PolarHBondContact ND1-O 3.19Å; H10-N78 WeakPolarHBondContact O-CB 3.29Å; Y17-N78 WeakPolarHBondContact CE2-ND2 3.25Å; I73-N78 PolarHBondContact O-N 3.46Å; G74-N78 WeakPolarHBondContact O-CB 3.34Å; G74-N78 PolarHBondContact O-ND2 3.3Å; N78-P82 WeakPolarHBondContact O-CD 3.31Å; N78-N96 PolarHBondContact OD1-ND2 3.47Å; N78-N96 PolarHBondContact OD1-OD1 2.79Å
79W97.5Very high96.5Very high12 Ų124.8 Ų4.85%0.0453%0.027CC..Hα-helixtrans-64.5-50.8177.8-97.3100.2000112.6K11 T15 F18 G75 F76 L83 F398K11-W79 HydrophobicContact CB-CD2 4.13Å; K11-W79 HydrophobicContact CB-CE3 4.01Å; K11-W79 HydrophobicContact CB-CH2 3.78Å; K11-W79 HydrophobicContact CB-CZ2 3.87Å; K11-W79 HydrophobicContact CB-CZ3 3.84Å; K11-W79 HydrophobicContact CD-CE3 4.06Å; K11-W79 HydrophobicContact CD-CH2 4.1Å; K11-W79 HydrophobicContact CD-CZ3 3.57Å; K11-W79 HydrophobicContact CG-CD2 4.19Å; K11-W79 HydrophobicContact CG-CE3 3.67Å; K11-W79 HydrophobicContact CG-CH2 4.1Å; K11-W79 HydrophobicContact CG-CZ3 3.63Å; K11-W79 PolarHBondContact O-NE1 2.89Å; K11-W79 VanDerWaalsContact O-NE1 3.13Å; T15-W79 VanDerWaalsContact OG1-CZ2 3.29Å; T15-W79 WeakPolarHBondContact OG1-CZ2 3.03Å; T15-W79 PolarHBondContact OG1-NE1 3.36Å; F18-W79 AromaticContact CE2-CD1 3.51Å; F18-W79 HydrophobicContact CE2-CG 4.32Å; F18-W79 AromaticContact CE2-NE1 3.95Å; G75-W79 PolarHBondContact O-N 2.93Å; G75-W79 VanDerWaalsContact O-N 3.1Å; F76-W79 PolarHBondContact O-N 3.32Å; W79-L83 HydrophobicContact CE3-CD1 4.47Å; W79-L83 VanDerWaalsContact O-CD1 3.31Å; W79-L83 WeakPolarHBondContact O-CD1 3.45Å; W79-L83 WeakPolarHBondContact O-CG 3.36Å; W79-F398 HydrophobicContact CB-CD1 4.4Å; W79-F398 HydrophobicContact CB-CE1 3.76Å; W79-F398 HydrophobicContact CB-CZ 4.29Å; W79-F398 AromaticContact CD2-CD1 3.53Å; W79-F398 HydrophobicContact CD2-CD1 3.53Å; W79-F398 AromaticContact CD2-CE1 3.83Å; W79-F398 HydrophobicContact CD2-CE1 3.83Å; W79-F398 HydrophobicContact CD2-CG 4.3Å; W79-F398 AromaticContact CE2-CD1 3.99Å; W79-F398 AromaticContact CE3-CD1 3.5Å; W79-F398 HydrophobicContact CE3-CD1 3.5Å; W79-F398 AromaticContact CE3-CE1 3.94Å; W79-F398 HydrophobicContact CE3-CE1 3.94Å; W79-F398 AromaticContact CG-CD1 3.95Å; W79-F398 HydrophobicContact CG-CD1 3.95Å; W79-F398 AromaticContact CG-CE1 3.78Å; W79-F398 HydrophobicContact CG-CE1 3.78Å; W79-F398 HydrophobicContact CG-CZ 4.4Å; W79-F398 HydrophobicContact CH2-CB 4.3Å; W79-F398 HydrophobicContact CH2-CD1 4.36Å; W79-F398 HydrophobicContact CZ2-CB 4.2Å; W79-F398 HydrophobicContact CZ2-CD1 4.39Å; W79-F398 AromaticContact CZ3-CD1 3.93Å; W79-F398 HydrophobicContact CZ3-CD1 3.93Å
80L97.7Very high96.4Very high0 Ų04.5 Ų4.50%03%0.025CC..Hα-helixtrans-95.9-31.3-163.4-60.3176.6000113.5F76 L83 M84 F182 W394 L397 F398F76-L80 HydrophobicContact CB-CD1 4.36Å; F76-L80 HydrophobicContact CD1-CD1 3.95Å; F76-L80 VanDerWaalsContact O-CB 3.3Å; F76-L80 WeakPolarHBondContact O-CB 3.42Å; F76-L80 WeakPolarHBondContact O-CG 3.37Å; F76-L80 PolarHBondContact O-N 3.22Å; L80-L83 PolarHBondContact O-N 2.81Å; L80-M84 HydrophobicContact CB-CE 4.12Å; L80-M84 HydrophobicContact CB-CG 4.49Å; L80-M84 HydrophobicContact CB-SD 4.2Å; L80-M84 HydrophobicContact CD1-CE 4.11Å; L80-M84 HydrophobicContact CD2-CE 4.43Å; L80-M84 HydrophobicContact CG-CE 4.46Å; L80-M84 WeakPolarHBondContact O-CB 3.47Å; L80-M84 VanDerWaalsContact O-CG 3.29Å; L80-M84 WeakPolarHBondContact O-CG 3.38Å; L80-M84 PolarHBondContact O-N 3.4Å; L80-F182 HydrophobicContact CB-CD1 3.98Å; L80-F182 HydrophobicContact CB-CE1 3.69Å; L80-F182 HydrophobicContact CD1-CD1 4.29Å; L80-F182 HydrophobicContact CD1-CE1 4.05Å; L80-F182 HydrophobicContact CD1-CZ 4.35Å; L80-F182 HydrophobicContact CG-CE1 4.44Å; L80-W394 HydrophobicContact CD1-CD2 3.72Å; L80-W394 HydrophobicContact CD1-CE3 3.86Å; L80-W394 HydrophobicContact CD1-CG 4.28Å; L80-W394 HydrophobicContact CD1-CH2 4.42Å; L80-W394 HydrophobicContact CD1-CZ2 4.21Å; L80-W394 HydrophobicContact CD1-CZ3 4.23Å; L80-W394 HydrophobicContact CD2-CD2 4.28Å; L80-W394 HydrophobicContact CD2-CG 4.01Å; L80-L397 HydrophobicContact CD2-CD2 4.06Å; L80-F398 HydrophobicContact CD2-CE1 3.95Å; L80-F398 HydrophobicContact CD2-CZ 4.36Å; L80-F398 HydrophobicContact CG-CE1 4.46Å
81V98Very high96.3Very high0 Ų05.5 Ų5.50%03%0.034CC..Hα-helixtrans-61.3-50.7-174.3170.90000112.1G77 L83 M84 L85 F162 V166 F182 V183 V186G77-V81 WeakPolarHBondContact O-CB 3.45Å; G77-V81 VanDerWaalsContact O-CG2 3.27Å; G77-V81 WeakPolarHBondContact O-CG2 3.36Å; G77-V81 PolarHBondContact O-N 2.96Å; V81-L83 PolarHBondContact O-N 2.99Å; V81-M84 PolarHBondContact O-N 3.27Å; V81-L85 HydrophobicContact CG1-CD1 3.88Å; V81-L85 HydrophobicContact CG1-CG 4.5Å; V81-L85 WeakPolarHBondContact O-CB 3.22Å; V81-L85 VanDerWaalsContact O-CG 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.45Å; V81-L85 PolarHBondContact O-N 3.46Å; V81-L85 VanDerWaalsContact O-N 3.08Å; V81-F162 HydrophobicContact CB-CD1 4.42Å; V81-F162 HydrophobicContact CB-CE1 4.34Å; V81-F162 HydrophobicContact CG1-CD1 4.44Å; V81-F162 HydrophobicContact CG2-CD1 4.24Å; V81-F162 HydrophobicContact CG2-CE1 4.19Å; V81-V166 HydrophobicContact CG1-CG2 3.85Å; V81-F182 HydrophobicContact CG2-CE1 4.15Å; V81-V183 HydrophobicContact CG1-CG1 4.45Å; V81-V186 HydrophobicContact CG2-CB 4.08Å; V81-V186 HydrophobicContact CG2-CG1 3.98Å; V81-V186 HydrophobicContact CG2-CG2 4.08Å
82P96.1Very high96.2Very high0 Ų09 Ų90%05%0.049CC..Hα-helixtrans-62-42.2176.8-26.538.6000112.5H10 N78 M84 L85 G86 A87 M90H10-P82 HydrophobicContact CB-CG 4.16Å; N78-P82 WeakPolarHBondContact O-CD 3.31Å; P82-M84 PolarHBondContact O-N 3.11Å; P82-L85 PolarHBondContact O-N 3.5Å; P82-G86 CarbonylContact O-C 3.26Å; P82-G86 PolarHBondContact O-N 2.96Å; P82-A87 HydrophobicContact CB-CB 4.16Å; P82-A87 PolarHBondContact O-N 3.15Å; P82-M90 HydrophobicContact CG-CG 3.99Å; P82-M90 HydrophobicContact CG-SD 3.54Å; P82-M90 VanDerWaalsContact CG-SD 3.54Å
83L95.1Very high96.1Very high3 Ų311 Ų112%0.0166%0.062CC..Hα-helixtrans-62.3-46.1179.4-64.2179.6000112.2W79 L80 V81 L85 G86 L397 I490 E491 Q494 P498W79-L83 HydrophobicContact CE3-CD1 4.47Å; W79-L83 VanDerWaalsContact O-CD1 3.31Å; W79-L83 WeakPolarHBondContact O-CD1 3.45Å; W79-L83 WeakPolarHBondContact O-CG 3.36Å; L80-L83 PolarHBondContact O-N 2.81Å; V81-L83 PolarHBondContact O-N 2.99Å; L83-L85 PolarHBondContact O-N 2.99Å; L83-G86 PolarHBondContact O-N 2.95Å; L83-G86 VanDerWaalsContact O-N 3.1Å; L83-L397 HydrophobicContact CD1-CD2 4.18Å; L83-I490 WeakPolarHBondContact O-CD1 3.43Å; L83-I490 WeakPolarHBondContact O-CG1 3.23Å; L83-E491 HydrophobicContact CB-CB 3.76Å; L83-E491 HydrophobicContact CD1-CB 4.48Å; L83-Q494 HydrophobicContact CD2-CG 4.32Å; L83-P498 HydrophobicContact CD1-CG 4.3Å
84M95.7Very high96.1Very high0 Ų020.5 Ų20.50%010%0.097CC..Hα-helixtrans-71.5-15.1179.4-74.1-176177.100113.8L80 V81 P82 P180 F182 V183 W394 I490 E491L80-M84 HydrophobicContact CB-CE 4.12Å; L80-M84 HydrophobicContact CB-CG 4.49Å; L80-M84 HydrophobicContact CB-SD 4.2Å; L80-M84 HydrophobicContact CD1-CE 4.11Å; L80-M84 HydrophobicContact CD2-CE 4.43Å; L80-M84 HydrophobicContact CG-CE 4.46Å; L80-M84 WeakPolarHBondContact O-CB 3.47Å; L80-M84 VanDerWaalsContact O-CG 3.29Å; L80-M84 WeakPolarHBondContact O-CG 3.38Å; L80-M84 PolarHBondContact O-N 3.4Å; V81-M84 PolarHBondContact O-N 3.27Å; P82-M84 PolarHBondContact O-N 3.11Å; M84-P180 HydrophobicContact CB-CG 4.16Å; M84-P180 HydrophobicContact SD-CB 4.23Å; M84-F182 HydrophobicContact CE-CB 4.41Å; M84-F182 HydrophobicContact CE-CD1 4.41Å; M84-F182 HydrophobicContact SD-CB 3.92Å; M84-F182 HydrophobicContact SD-CD1 3.78Å; M84-F182 HydrophobicContact SD-CG 4.26Å; M84-V183 HydrophobicContact CB-CG2 3.69Å; M84-V183 HydrophobicContact SD-CG2 4.27Å; M84-W394 HydrophobicContact CE-CZ2 4.04Å; M84-I490 VanDerWaalsContact O-CD1 3.32Å; M84-I490 WeakPolarHBondContact O-CD1 3.27Å; M84-E491 HydrophobicContact CE-CG 4.45Å; M84-E491 HydrophobicContact CG-CB 4.36Å
85L95Very high96Very high0 Ų023.1 Ų23.10%011%0.109CC..Hα-helixtrans-96.5-10.3170.9-70.6-179.9000113.1V81 P82 L83 A87 T165 V166 R170 S171 V183V81-L85 HydrophobicContact CG1-CD1 3.88Å; V81-L85 HydrophobicContact CG1-CG 4.5Å; V81-L85 WeakPolarHBondContact O-CB 3.22Å; V81-L85 VanDerWaalsContact O-CG 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.45Å; V81-L85 PolarHBondContact O-N 3.46Å; V81-L85 VanDerWaalsContact O-N 3.08Å; P82-L85 PolarHBondContact O-N 3.5Å; L83-L85 PolarHBondContact O-N 2.99Å; L85-A87 HydrophobicContact CB-CB 4.26Å; L85-A87 PolarHBondContact O-N 3.21Å; L85-T165 HydrophobicContact CD1-CG2 4.49Å; L85-V166 HydrophobicContact CD1-CB 4.44Å; L85-V166 HydrophobicContact CD1-CG2 4.12Å; L85-R170 HydrophobicContact CD1-CG 4.4Å; L85-R170 HydrophobicContact CD2-CB 4.3Å; L85-R170 HydrophobicContact CD2-CG 3.72Å; L85-S171 VanDerWaalsContact O-CB 3.31Å; L85-S171 WeakPolarHBondContact O-CB 3.43Å; L85-S171 PolarHBondContact O-N 3.24Å; L85-S171 PolarHBondContact O-OG 3.21Å; L85-V183 HydrophobicContact CD1-CG1 4.31Å; L85-V183 HydrophobicContact CD2-CG1 3.95Å; L85-V183 HydrophobicContact CD2-CG2 4.41Å; L85-V183 HydrophobicContact CG-CG1 4.2Å; L85-V183 HydrophobicContact CG-CG2 4.39Å
86G92.2Very high96Very high0 Ų023.1 Ų23.10%011%0.109CC..THydrogen-bonded Turntrans63.122-165.800000113P82 L83 S171 P507P82-G86 CarbonylContact O-C 3.26Å; P82-G86 PolarHBondContact O-N 2.96Å; L83-G86 PolarHBondContact O-N 2.95Å; L83-G86 VanDerWaalsContact O-N 3.1Å; G86-S171 VanDerWaalsContact CA-OG 3.3Å; G86-S171 WeakPolarHBondContact CA-OG 3.48Å; G86-S171 PolarHBondContact O-OG 3.35Å; G86-P507 WeakPolarHBondContact O-CD 3.48Å; G86-P507 WeakPolarHBondContact O-CG 3.34Å
87A92.6Very high95.9Very high0 Ų024.4 Ų24.40%012%0.116CC..  trans-73.8146.117600000110.6P82 L85 D89 M169 L506P82-A87 HydrophobicContact CB-CB 4.16Å; P82-A87 PolarHBondContact O-N 3.15Å; L85-A87 HydrophobicContact CB-CB 4.26Å; L85-A87 PolarHBondContact O-N 3.21Å; A87-D89 VanDerWaalsContact C-N 3.35Å; A87-M169 HydrophobicContact CB-CB 4.06Å; A87-M169 HydrophobicContact CB-CE 4.4Å; A87-M169 WeakPolarHBondContact CB-O 3.49Å; A87-L506 HydrophobicContact CB-CD2 4.39Å
88P91.2Very high95.8Very high24 Ų2429.2 Ų29.216%0.15614%0.139CC..SBendtrans-68.6-32.4177.126.2-34.5000113.3M169 Y503P88-M169 HydrophobicContact CG-CE 4.1Å; P88-Y503 WeakPolarHBondContact CB-O 3.4Å
89D93Very high95.8Very high15 Ų1529.1 Ų29.18%0.0814%0.139CC..SBendtrans-162.8-174.5178.3-148.7-30.9000109.4H10 A87 M169H10-D89 VanDerWaalsContact CB-OD1 3.28Å; H10-D89 WeakPolarHBondContact CB-OD1 3.37Å; H10-D89 IonicContact CD2-OD1 3.39Å; H10-D89 PolarHBondContact CD2-OD1 2.94Å; H10-D89 IonicContact CG-OD1 3.85Å; H10-D89 PolarHBondContact N-OD1 3.09Å; A87-D89 VanDerWaalsContact C-N 3.35Å; D89-M169 VanDerWaalsContact O-CE 3.24Å; D89-M169 WeakPolarHBondContact O-CE 3.35Å
90M95.7Very high95.9Very high3 Ų329 Ų292%0.01514%0.139CC..  trans-70.6154.1166.3-64.1-67.5-69.500111.7H10 P82 F92 P93 N161 F162 T165H10-M90 HydrophobicContact CB-CG 3.79Å; P82-M90 HydrophobicContact CG-CG 3.99Å; P82-M90 HydrophobicContact CG-SD 3.54Å; P82-M90 VanDerWaalsContact CG-SD 3.54Å; M90-F92 VanDerWaalsContact C-N 3.33Å; M90-F92 PolarHBondContact O-N 3.37Å; M90-P93 WeakPolarHBondContact O-CD 3.5Å; M90-P93 WeakPolarHBondContact O-CG 3.39Å; M90-N161 HydrophobicContact CE-CB 4.28Å; M90-N161 WeakPolarHBondContact CE-ND2 3.45Å; M90-F162 HydrophobicContact CE-CD1 3.4Å; M90-F162 HydrophobicContact CE-CE1 3.5Å; M90-F162 VanDerWaalsContact CE-CE1 3.5Å; M90-F162 HydrophobicContact CE-CG 3.94Å; M90-F162 HydrophobicContact CE-CZ 4.15Å; M90-F162 HydrophobicContact SD-CD1 4.26Å; M90-F162 HydrophobicContact SD-CE1 4.06Å; M90-T165 HydrophobicContact SD-CG2 4.09Å
91A96.5Very high95.9Very high27 Ų2733.1 Ų33.122%0.22315%0.154CC..SBendtrans-60.7-36.6-177.600000114.1P93 N161 T164 T165 M169A91-P93 WeakPolarHBondContact O-CD 3.39Å; A91-N161 PolarHBondContact N-OD1 3.5Å; A91-T164 HydrophobicContact CB-CG2 3.76Å; A91-T165 WeakPolarHBondContact CB-OG1 3.49Å; A91-T165 PolarHBondContact N-OG1 3.23Å; A91-M169 WeakPolarHBondContact CA-SD 3.09Å; A91-M169 HydrophobicContact CB-SD 3.68Å
92F97.5Very high95.9Very high86 Ų8634.6 Ų34.638%0.37716%0.162SC..  trans-124.478.5178.7-55.7-56.1000111.3M90 R94 M95 N96 V160 N161 T164M90-F92 VanDerWaalsContact C-N 3.33Å; M90-F92 PolarHBondContact O-N 3.37Å; F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 3.02Å; F92-M95 HydrophobicContact CB-CB 3.68Å; F92-M95 HydrophobicContact CB-SD 4.39Å; F92-M95 HydrophobicContact CD2-CE 4.47Å; F92-M95 HydrophobicContact CD2-SD 4.19Å; F92-M95 WeakPolarHBondContact O-CB 3.31Å; F92-M95 PolarHBondContact O-N 3.46Å; F92-M95 VanDerWaalsContact O-N 3.09Å; F92-N96 PolarHBondContact O-N 3.14Å; F92-V160 HydrophobicContact CE2-CG1 4.33Å; F92-N161 PolarHBondContact N-OD1 3.4Å; F92-T164 HydrophobicContact CE2-CG2 3.71Å; F92-T164 HydrophobicContact CZ-CG2 3.82Å
93P95.5Very high96Very high41 Ų4134.8 Ų34.827%0.26616%0.163SC..Hα-helixtrans-57.8-36.9-173.2-27.936.1000114.7T8 M90 A91 N96 N97T8-P93 HydrophobicContact CG2-CB 4.17Å; T8-P93 WeakPolarHBondContact O-CB 3.45Å; M90-P93 WeakPolarHBondContact O-CD 3.5Å; M90-P93 WeakPolarHBondContact O-CG 3.39Å; A91-P93 WeakPolarHBondContact O-CD 3.39Å; P93-N96 VanDerWaalsContact O-CB 3.26Å; P93-N96 WeakPolarHBondContact O-CB 3.41Å; P93-N96 PolarHBondContact O-N 3.49Å; P93-N97 PolarHBondContact O-N 3.35Å; P93-N97 VanDerWaalsContact O-N 3.1Å
94R96.8Very high96.2Very high215 Ų21536.2 Ų36.281%0.81117%0.173SC*.Hα-helixtrans-72.9-37.1177.3-64-178.1-175.2178.21.9113T8 F92 N96 N97 M98T8-R94 HydrophobicContact CG2-CG 4.09Å; F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 3.02Å; R94-N96 PolarHBondContact O-N 3.12Å; R94-N97 PolarHBondContact O-N 3.4Å; R94-M98 PolarHBondContact O-N 3.36Å
95M96.9Very high96.3Very high59 Ų5939.1 Ų39.129%0.29119%0.191SC..Hα-helixtrans-65.6-34.1173.3-175.6-178.5-70.500110.4F92 M98 S99 L157 V160F92-M95 HydrophobicContact CB-CB 3.68Å; F92-M95 HydrophobicContact CB-SD 4.39Å; F92-M95 HydrophobicContact CD2-CE 4.47Å; F92-M95 HydrophobicContact CD2-SD 4.19Å; F92-M95 WeakPolarHBondContact O-CB 3.31Å; F92-M95 PolarHBondContact O-N 3.46Å; F92-M95 VanDerWaalsContact O-N 3.09Å; M95-M98 PolarHBondContact O-N 2.99Å; M95-S99 PolarHBondContact O-N 2.8Å; M95-L157 HydrophobicContact CE-CD2 4.27Å; M95-L157 HydrophobicContact CG-CB 3.92Å; M95-L157 HydrophobicContact CG-CD2 4.03Å; M95-L157 HydrophobicContact CG-CG 4.43Å; M95-L157 HydrophobicContact SD-CB 4.36Å; M95-L157 HydrophobicContact SD-CD2 4.04Å; M95-V160 HydrophobicContact SD-CB 4.46Å; M95-V160 HydrophobicContact SD-CG1 4.34Å
96N97.4Very high96.5Very high0 Ų039.1 Ų39.10%019%0.191CC..Hα-helixtrans-63.9-41.7174.1-154.436.3000113.2I13 N78 F92 P93 R94 S99 F100 N161I13-N96 HydrophobicContact CD1-CB 3.9Å; I13-N96 WeakPolarHBondContact CD1-ND2 3.37Å; N78-N96 PolarHBondContact OD1-ND2 3.47Å; N78-N96 PolarHBondContact OD1-OD1 2.79Å; F92-N96 PolarHBondContact O-N 3.14Å; P93-N96 VanDerWaalsContact O-CB 3.26Å; P93-N96 WeakPolarHBondContact O-CB 3.41Å; P93-N96 PolarHBondContact O-N 3.49Å; R94-N96 PolarHBondContact O-N 3.12Å; N96-S99 PolarHBondContact O-OG 3.04Å; N96-F100 PolarHBondContact O-N 3.32Å; N96-N161 VanDerWaalsContact CB-ND2 3.3Å; N96-N161 WeakPolarHBondContact CB-ND2 3.41Å; N96-N161 PolarHBondContact OD1-ND2 2.92Å
97N96.9Very high96.8Very high27 Ų2739.4 Ų39.414%0.14419%0.193CC..Hα-helixtrans-64-45.3173.5179.2-90.7000110.8L5 S7 I13 P93 R94 S99 F100 W101L5-N97 PolarHBondContact O-ND2 3.38Å; S7-N97 WeakPolarHBondContact O-CB 3.39Å; S7-N97 PolarHBondContact O-ND2 3.21Å; I13-N97 HydrophobicContact CD1-CB 4.12Å; P93-N97 PolarHBondContact O-N 3.35Å; P93-N97 VanDerWaalsContact O-N 3.1Å; R94-N97 PolarHBondContact O-N 3.4Å; N97-S99 VanDerWaalsContact C-N 3.34Å; N97-S99 PolarHBondContact O-N 3.2Å; N97-F100 PolarHBondContact O-N 3.03Å; N97-W101 PolarHBondContact ND2-NE1 3.3Å; N97-W101 VanDerWaalsContact O-CD1 3.22Å; N97-W101 PolarHBondContact O-N 3.16Å; N97-W101 VanDerWaalsContact O-N 3.09Å; N97-W101 VanDerWaalsContact OD1-CD1 3.23Å
98M97.1Very high97.1Very high100 Ų10042.5 Ų42.549%0.49322%0.215SC..Hα-helixtrans-61.9-39.1177.9-176.4175.7178.300112.6R94 M95 F100 W101 L102 L157R94-M98 PolarHBondContact O-N 3.36Å; M95-M98 PolarHBondContact O-N 2.99Å; M98-F100 VanDerWaalsContact C-N 3.31Å; M98-F100 PolarHBondContact O-N 3.48Å; M98-W101 PolarHBondContact O-N 3.17Å; M98-L102 HydrophobicContact CE-CD1 4.34Å; M98-L102 HydrophobicContact CG-CD1 4.33Å; M98-L102 WeakPolarHBondContact O-CG 3.4Å; M98-L102 PolarHBondContact O-N 3.49Å; M98-L157 HydrophobicContact CE-CD1 4.15Å; M98-L157 HydrophobicContact CG-CD1 4.08Å; M98-L157 HydrophobicContact SD-CD1 4.02Å
99S98.1Very high97.5Very high0 Ų043.7 Ų43.70%022%0.219CC..Hα-helixtrans-58.7-44.817768.70000110.7Y17 M95 N96 N97 S154Y17-S99 VanDerWaalsContact OH-C 3.27Å; Y17-S99 PolarHBondContact OH-OG 3.31Å; M95-S99 PolarHBondContact O-N 2.8Å; N96-S99 PolarHBondContact O-OG 3.04Å; N97-S99 VanDerWaalsContact C-N 3.34Å; N97-S99 PolarHBondContact O-N 3.2Å; S99-S154 VanDerWaalsContact CB-O 3.32Å; S99-S154 WeakPolarHBondContact CB-O 3.3Å; S99-S154 VanDerWaalsContact O-CB 3.3Å; S99-S154 WeakPolarHBondContact O-CB 3.41Å; S99-S154 PolarHBondContact O-OG 2.89Å
100F98.5Very high97.7Very high9 Ų943 Ų434%0.03922%0.216CC..Hα-helixtrans-62.7-51175.7171.5-100.7000112.3I13 L16 Y17 F20 N96 N97 M98 L102 L103 P104I13-F100 HydrophobicContact CG2-CB 4.21Å; L16-F100 VanDerWaalsContact C-CE2 3.44Å; L16-F100 HydrophobicContact CB-CD1 4.13Å; L16-F100 HydrophobicContact CB-CD2 3.97Å; L16-F100 HydrophobicContact CB-CE1 3.8Å; L16-F100 HydrophobicContact CB-CE2 3.63Å; L16-F100 HydrophobicContact CB-CG 4.22Å; L16-F100 HydrophobicContact CB-CZ 3.56Å; L16-F100 HydrophobicContact CD1-CD1 3.93Å; L16-F100 HydrophobicContact CD1-CE1 3.83Å; L16-F100 HydrophobicContact CD1-CZ 4.43Å; L16-F100 HydrophobicContact CD2-CE1 4.42Å; L16-F100 HydrophobicContact CD2-CZ 4.43Å; L16-F100 HydrophobicContact CG-CE1 4.24Å; L16-F100 HydrophobicContact CG-CZ 4.36Å; L16-F100 WeakPolarHBondContact O-CE2 3.12Å; Y17-F100 AromaticContact CD1-CD2 3.97Å; Y17-F100 HydrophobicContact CD1-CD2 3.97Å; Y17-F100 HydrophobicContact CD2-CB 4.38Å; Y17-F100 HydrophobicContact CD2-CD2 4.06Å; Y17-F100 HydrophobicContact CE1-CB 4.49Å; Y17-F100 HydrophobicContact CE1-CD2 4.12Å; Y17-F100 HydrophobicContact CE2-CB 3.74Å; Y17-F100 HydrophobicContact CE2-CD2 4.16Å; Y17-F100 HydrophobicContact CE2-CG 4.41Å; Y17-F100 AromaticContact CG-CD2 3.95Å; Y17-F100 HydrophobicContact CG-CD2 3.95Å; Y17-F100 WeakPolarHBondContact OH-CA 3.24Å; Y17-F100 PolarHBondContact OH-N 3.38Å; Y17-F100 VanDerWaalsContact OH-N 3.12Å; F20-F100 HydrophobicContact CB-CE2 3.84Å; F20-F100 HydrophobicContact CB-CZ 4.36Å; F20-F100 HydrophobicContact CG-CE2 4.34Å; N96-F100 PolarHBondContact O-N 3.32Å; N97-F100 PolarHBondContact O-N 3.03Å; M98-F100 VanDerWaalsContact C-N 3.31Å; M98-F100 PolarHBondContact O-N 3.48Å; F100-L102 PolarHBondContact O-N 2.65Å; F100-L102 VanDerWaalsContact O-N 3.13Å; F100-L103 WeakPolarHBondContact O-CB 3.45Å; F100-L103 PolarHBondContact O-N 2.84Å; F100-P104 VanDerWaalsContact O-CD 3.28Å; F100-P104 WeakPolarHBondContact O-CD 3.36Å
101W97.9Very high97.8Very high87 Ų8745 Ų4533%0.3323%0.226SC..Hα-helixtrans-69.9-11.4-171.3-77111.9000115.2L5 L16 N97 M98 L103 P104 P105L5-W101 HydrophobicContact CB-CZ2 4.46Å; L5-W101 HydrophobicContact CD1-CD2 4.32Å; L5-W101 HydrophobicContact CD1-CH2 3.82Å; L5-W101 HydrophobicContact CD1-CZ2 3.59Å; L5-W101 HydrophobicContact CD1-CZ3 4.27Å; L5-W101 PolarHBondContact O-NE1 3.36Å; L16-W101 HydrophobicContact CD1-CZ2 4.44Å; N97-W101 PolarHBondContact ND2-NE1 3.3Å; N97-W101 VanDerWaalsContact O-CD1 3.22Å; N97-W101 PolarHBondContact O-N 3.16Å; N97-W101 VanDerWaalsContact O-N 3.09Å; N97-W101 VanDerWaalsContact OD1-CD1 3.23Å; M98-W101 PolarHBondContact O-N 3.17Å; W101-L103 VanDerWaalsContact C-N 3.33Å; W101-P104 HydrophobicContact CE3-CG 4.26Å; W101-P104 HydrophobicContact CZ3-CG 4.47Å; W101-P105 WeakPolarHBondContact O-CD 3.22Å
102L98.4Very high97.9Very high30 Ų3046.9 Ų46.916%0.15724%0.235CC..THydrogen-bonded Turntrans-74.8-21.2169.6-74.7170.6000113M98 F100 A106 L150 I153 L157M98-L102 HydrophobicContact CE-CD1 4.34Å; M98-L102 HydrophobicContact CG-CD1 4.33Å; M98-L102 WeakPolarHBondContact O-CG 3.4Å; M98-L102 PolarHBondContact O-N 3.49Å; F100-L102 PolarHBondContact O-N 2.65Å; F100-L102 VanDerWaalsContact O-N 3.13Å; L102-A106 WeakPolarHBondContact O-CB 3.39Å; L102-A106 PolarHBondContact O-N 2.93Å; L102-L150 HydrophobicContact CD2-CD2 4.25Å; L102-I153 HydrophobicContact CD1-CB 4.26Å; L102-I153 HydrophobicContact CD1-CG2 3.68Å; L102-L157 HydrophobicContact CD1-CD1 3.96Å
103L98.7Very high98Very high4 Ų443 Ų432%0.02122%0.218CC..Hα-helixtrans-72.5-43.4-178.5-65.8-179.2000114.5Y17 F20 F66 P70 F100 W101 A106 L107 A151Y17-L103 HydrophobicContact CD1-CD1 3.97Å; Y17-L103 HydrophobicContact CE1-CD1 3.47Å; Y17-L103 VanDerWaalsContact CE1-CD1 3.47Å; F20-L103 HydrophobicContact CD1-CB 4.44Å; F20-L103 HydrophobicContact CD1-CD1 4.16Å; F20-L103 HydrophobicContact CE1-CB 3.84Å; F20-L103 HydrophobicContact CE1-CD1 3.96Å; F20-L103 HydrophobicContact CE1-CG 4.47Å; F20-L103 HydrophobicContact CE2-CB 4.22Å; F20-L103 HydrophobicContact CZ-CB 3.7Å; F66-L103 HydrophobicContact CE1-CD2 4.44Å; P70-L103 HydrophobicContact CB-CD1 4.15Å; P70-L103 HydrophobicContact CG-CD1 3.9Å; F100-L103 WeakPolarHBondContact O-CB 3.45Å; F100-L103 PolarHBondContact O-N 2.84Å; W101-L103 VanDerWaalsContact C-N 3.33Å; L103-A106 WeakPolarHBondContact O-CB 3.46Å; L103-A106 PolarHBondContact O-N 3.13Å; L103-L107 PolarHBondContact O-N 3.32Å; L103-A151 HydrophobicContact CD2-CB 4.38Å
104P98.5Very high98Very high34 Ų3442.9 Ų42.922%0.22122%0.218CC..Hα-helixtrans-60.5-45177.6-2231.7000114F20 F100 W101 A106 L107 S108F20-P104 HydrophobicContact CD2-CG 4.28Å; F20-P104 HydrophobicContact CE2-CB 4.45Å; F20-P104 HydrophobicContact CE2-CG 4.21Å; F100-P104 VanDerWaalsContact O-CD 3.28Å; F100-P104 WeakPolarHBondContact O-CD 3.36Å; W101-P104 HydrophobicContact CE3-CG 4.26Å; W101-P104 HydrophobicContact CZ3-CG 4.47Å; P104-A106 VanDerWaalsContact C-N 3.34Å; P104-A106 PolarHBondContact O-N 3.24Å; P104-L107 PolarHBondContact O-N 2.95Å; P104-S108 WeakPolarHBondContact O-CB 3.36Å; P104-S108 PolarHBondContact O-N 2.84Å; P104-S108 PolarHBondContact O-OG 3.25Å
105P98.6Very high98Very high61 Ų6139.8 Ų39.840%0.39622%0.215SC..Hα-helixtrans-60.7-40.4171.2-24.135.2000112.8W101 S108 L109 L150W101-P105 WeakPolarHBondContact O-CD 3.22Å; P105-S108 WeakPolarHBondContact O-CB 3.43Å; P105-S108 PolarHBondContact O-N 3.48Å; P105-L109 WeakPolarHBondContact O-CG 3.5Å; P105-L109 PolarHBondContact O-N 3Å; P105-L150 HydrophobicContact CB-CD1 4.11Å
106A98.8Very high98Very high0 Ų038.9 Ų38.90%021%0.213CC..Hα-helixtrans-60.8-49176.800000111.9F66 L102 L103 P104 S108 L109 L110 S147 L150 A151F66-A106 HydrophobicContact CE1-CB 3.74Å; F66-A106 HydrophobicContact CZ-CB 3.91Å; L102-A106 WeakPolarHBondContact O-CB 3.39Å; L102-A106 PolarHBondContact O-N 2.93Å; L103-A106 WeakPolarHBondContact O-CB 3.46Å; L103-A106 PolarHBondContact O-N 3.13Å; P104-A106 VanDerWaalsContact C-N 3.34Å; P104-A106 PolarHBondContact O-N 3.24Å; A106-S108 VanDerWaalsContact C-N 3.29Å; A106-S108 PolarHBondContact O-N 3.23Å; A106-L109 PolarHBondContact O-N 2.81Å; A106-L110 PolarHBondContact O-N 3.42Å; A106-L110 VanDerWaalsContact O-N 3.09Å; A106-S147 VanDerWaalsContact O-CB 3.28Å; A106-S147 WeakPolarHBondContact O-CB 3.27Å; A106-S147 PolarHBondContact O-OG 2.95Å; A106-L150 HydrophobicContact CB-CB 3.68Å; A106-A151 HydrophobicContact CB-CB 4.21Å
107L98.7Very high97.8Very high5 Ų545.9 Ų45.93%0.02625%0.245CC..Hα-helixtrans-63.8-37.6177.5-178.453.3000111.5F20 W23 A24 I62 F66 L103 P104 L109 L110 L111F20-L107 HydrophobicContact CE2-CB 4.25Å; F20-L107 HydrophobicContact CE2-CD2 3.71Å; F20-L107 HydrophobicContact CZ-CB 3.96Å; F20-L107 HydrophobicContact CZ-CD2 3.62Å; F20-L107 HydrophobicContact CZ-CG 4.45Å; W23-L107 HydrophobicContact CE3-CD2 3.92Å; W23-L107 HydrophobicContact CZ3-CD2 3.56Å; W23-L107 HydrophobicContact CZ3-CG 4.35Å; A24-L107 HydrophobicContact CB-CD2 4.02Å; I62-L107 HydrophobicContact CD1-CD1 4.45Å; I62-L107 HydrophobicContact CG1-CD1 4.03Å; F66-L107 HydrophobicContact CB-CD1 4.27Å; F66-L107 HydrophobicContact CD1-CB 3.78Å; F66-L107 HydrophobicContact CD1-CD1 4.23Å; F66-L107 HydrophobicContact CD1-CG 4.41Å; F66-L107 HydrophobicContact CD2-CD1 4.05Å; F66-L107 HydrophobicContact CE1-CB 3.76Å; F66-L107 HydrophobicContact CE2-CD1 4.46Å; F66-L107 HydrophobicContact CG-CB 4.34Å; F66-L107 HydrophobicContact CG-CD1 3.9Å; F66-L107 HydrophobicContact CZ-CB 4.33Å; L103-L107 PolarHBondContact O-N 3.32Å; P104-L107 PolarHBondContact O-N 2.95Å; L107-L109 PolarHBondContact O-N 3.47Å; L107-L110 HydrophobicContact CD1-CD2 4.42Å; L107-L110 WeakPolarHBondContact O-CB 3.49Å; L107-L110 PolarHBondContact O-N 3.4Å; L107-L111 HydrophobicContact CD1-CD1 4.5Å; L107-L111 HydrophobicContact CD1-CG 4.24Å; L107-L111 HydrophobicContact CG-CD1 4.31Å; L107-L111 HydrophobicContact CG-CG 4.49Å; L107-L111 WeakPolarHBondContact O-CG 3.29Å; L107-L111 PolarHBondContact O-N 3.29Å
108S98.6Very high97.7Very high66 Ų6650.8 Ų50.846%0.46227%0.272SS..Hα-helixtrans-61.2-45176.4-570000111.2P104 P105 A106 L110 L111 V112P104-S108 WeakPolarHBondContact O-CB 3.36Å; P104-S108 PolarHBondContact O-N 2.84Å; P104-S108 PolarHBondContact O-OG 3.25Å; P105-S108 WeakPolarHBondContact O-CB 3.43Å; P105-S108 PolarHBondContact O-N 3.48Å; A106-S108 VanDerWaalsContact C-N 3.29Å; A106-S108 PolarHBondContact O-N 3.23Å; S108-L110 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 3.06Å; S108-L111 PolarHBondContact O-N 3.02Å; S108-V112 VanDerWaalsContact O-CG2 3.26Å; S108-V112 WeakPolarHBondContact O-CG2 3.34Å; S108-V112 PolarHBondContact O-N 3.32Å
109L98.7Very high97.7Very high48 Ų4846.1 Ų46.125%0.25125%0.249SC..Hα-helixtrans-60.9-39.5174.6-72174.7000112.3P105 A106 L107 V112 S113 L143 F146 L150P105-L109 WeakPolarHBondContact O-CG 3.5Å; P105-L109 PolarHBondContact O-N 3Å; A106-L109 PolarHBondContact O-N 2.81Å; L107-L109 PolarHBondContact O-N 3.47Å; L109-V112 PolarHBondContact O-N 3.33Å; L109-S113 WeakPolarHBondContact O-CB 3.32Å; L109-S113 PolarHBondContact O-N 3.36Å; L109-L143 HydrophobicContact CD2-CD2 3.98Å; L109-F146 HydrophobicContact CD1-CB 3.89Å; L109-L150 HydrophobicContact CD1-CD1 3.66Å
110L98.6Very high97.6Very high2 Ų246.3 Ų46.31%0.0125%0.251CS..Hα-helixtrans-64.6-45.2176-176.967.3000111.6F61 I62 F66 A106 L107 S108 S113 S114 S147F61-L110 HydrophobicContact CB-CD1 4.11Å; F61-L110 HydrophobicContact CB-CD2 3.58Å; F61-L110 HydrophobicContact CD2-CD1 3.79Å; F61-L110 HydrophobicContact CG-CD1 4.22Å; I62-L110 HydrophobicContact CD1-CD2 4.48Å; I62-L110 HydrophobicContact CG1-CD2 3.68Å; F66-L110 HydrophobicContact CD2-CD2 3.99Å; F66-L110 HydrophobicContact CE2-CD2 3.69Å; A106-L110 PolarHBondContact O-N 3.42Å; A106-L110 VanDerWaalsContact O-N 3.09Å; L107-L110 HydrophobicContact CD1-CD2 4.42Å; L107-L110 WeakPolarHBondContact O-CB 3.49Å; L107-L110 PolarHBondContact O-N 3.4Å; S108-L110 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 3.06Å; L110-S113 WeakPolarHBondContact O-CB 3.43Å; L110-S113 PolarHBondContact O-N 2.91Å; L110-S113 PolarHBondContact O-OG 2.82Å; L110-S114 PolarHBondContact O-N 3.43Å; L110-S147 WeakPolarHBondContact CB-OG 3.45Å
111L98.3Very high97.6Very high43 Ų4346.1 Ų46.123%0.22525%0.251CS..Hα-helixtrans-64.5-42.4178.2-65.9176.9000111.1W23 V27 I62 L107 S108 S113 S114W23-L111 HydrophobicContact CH2-CD1 4.05Å; W23-L111 HydrophobicContact CZ3-CD1 4.36Å; V27-L111 HydrophobicContact CG1-CD2 4.29Å; I62-L111 HydrophobicContact CD1-CD2 4.07Å; L107-L111 HydrophobicContact CD1-CD1 4.5Å; L107-L111 HydrophobicContact CD1-CG 4.24Å; L107-L111 HydrophobicContact CG-CD1 4.31Å; L107-L111 HydrophobicContact CG-CG 4.49Å; L107-L111 WeakPolarHBondContact O-CG 3.29Å; L107-L111 PolarHBondContact O-N 3.29Å; S108-L111 PolarHBondContact O-N 3.02Å; L111-S113 VanDerWaalsContact C-N 3.28Å; L111-S113 PolarHBondContact O-N 3.23Å; L111-S114 PolarHBondContact O-N 3.41Å; L111-S114 VanDerWaalsContact O-N 3.14Å; L111-S114 PolarHBondContact O-OG 3.5Å
112V98.3Very high97.5Very high67 Ų6742.4 Ų42.441%0.40624%0.238SC..Hα-helixtrans-63.4-35.9174.1178.20000111S108 L109 S114 M115 V116 L143S108-V112 VanDerWaalsContact O-CG2 3.26Å; S108-V112 WeakPolarHBondContact O-CG2 3.34Å; S108-V112 PolarHBondContact O-N 3.32Å; L109-V112 PolarHBondContact O-N 3.33Å; V112-S114 PolarHBondContact O-N 3.37Å; V112-S114 VanDerWaalsContact O-N 3.15Å; V112-M115 PolarHBondContact O-N 3.38Å; V112-V116 HydrophobicContact CG1-CG2 3.7Å; V112-V116 WeakPolarHBondContact O-CG2 3.22Å; V112-V116 PolarHBondContact O-N 3.25Å; V112-V116 VanDerWaalsContact O-N 3.09Å; V112-L143 HydrophobicContact CG1-CD1 3.87Å
113S98.4Very high97.4Very high4 Ų441.7 Ų41.73%0.02824%0.237CC..Hα-helixtrans-58.3-28.5175.884.40000113.3L109 L110 L111 G119 A120 S140L109-S113 WeakPolarHBondContact O-CB 3.32Å; L109-S113 PolarHBondContact O-N 3.36Å; L110-S113 WeakPolarHBondContact O-CB 3.43Å; L110-S113 PolarHBondContact O-N 2.91Å; L110-S113 PolarHBondContact O-OG 2.82Å; L111-S113 VanDerWaalsContact C-N 3.28Å; L111-S113 PolarHBondContact O-N 3.23Å; S113-G119 VanDerWaalsContact O-CA 3.29Å; S113-G119 WeakPolarHBondContact O-CA 3.34Å; S113-A120 PolarHBondContact O-N 2.94Å; S113-S140 WeakPolarHBondContact CB-O 2.96Å; S113-S140 WeakPolarHBondContact O-CB 3.4Å
114S96.7Very high97.3Very high39 Ų3943.5 Ų43.527%0.27324%0.244SC..Hα-helixtrans-81.3-15.3176.1720000113.9L110 L111 V112L110-S114 PolarHBondContact O-N 3.43Å; L111-S114 PolarHBondContact O-N 3.41Å; L111-S114 VanDerWaalsContact O-N 3.14Å; L111-S114 PolarHBondContact O-OG 3.5Å; V112-S114 PolarHBondContact O-N 3.37Å; V112-S114 VanDerWaalsContact O-N 3.15Å
115M95.9Very high97.2Very high151 Ų15142 Ų4274%0.74423%0.234SC*.Hα-helixtrans-108.1-8.8-175-61.7177.2-179.800113.5V112V112-M115 PolarHBondContact O-N 3.38Å
116V96.4Very high97.2Very high40 Ų4039.2 Ų39.224%0.24222%0.216CC..SBendtrans-98.2131.8-179.21690000109.8V112 N118 G119 A139 S140 L143V112-V116 HydrophobicContact CG1-CG2 3.7Å; V112-V116 WeakPolarHBondContact O-CG2 3.22Å; V112-V116 PolarHBondContact O-N 3.25Å; V112-V116 VanDerWaalsContact O-N 3.09Å; V116-N118 PolarHBondContact O-N 3.45Å; V116-G119 PolarHBondContact O-N 3.41Å; V116-A139 HydrophobicContact CG1-CB 4.37Å; V116-S140 WeakPolarHBondContact O-CB 3.4Å; V116-L143 HydrophobicContact CB-CD1 4.02Å; V116-L143 HydrophobicContact CG1-CD1 4.27Å; V116-L143 HydrophobicContact CG2-CD1 3.83Å
117E94.1Very high97.1Very high147 Ų14740.9 Ų40.969%0.68722%0.223SC*.THydrogen-bonded Turntrans51.3-130.9-175.2-56.6-59.3150.100110.9G119E117-G119 VanDerWaalsContact C-N 3.27Å; E117-G119 PolarHBondContact O-N 3.43Å
118N93.5Very high97.1Very high130 Ų13041.2 Ų41.270%0.69523%0.225SC*.THydrogen-bonded Turntrans-87.912.1177-64-26.8000113.5Q50 V54 V116Q50-N118 HydrophobicContact CG-CB 4.14Å; Q50-N118 WeakPolarHBondContact CG-O 3.2Å; Q50-N118 PolarHBondContact NE2-O 2.87Å; V54-N118 WeakPolarHBondContact CG2-O 3.35Å; V116-N118 PolarHBondContact O-N 3.45Å
119G97.5Very high97Very high1 Ų141.8 Ų41.81%0.0123%0.227CC..  trans70.3171.6-175.400000114.4Q50 S113 V116 E117 G121 H136 S140Q50-G119 PolarHBondContact NE2-O 2.88Å; S113-G119 VanDerWaalsContact O-CA 3.29Å; S113-G119 WeakPolarHBondContact O-CA 3.34Å; V116-G119 PolarHBondContact O-N 3.41Å; E117-G119 VanDerWaalsContact C-N 3.27Å; E117-G119 PolarHBondContact O-N 3.43Å; G119-G121 PolarHBondContact O-N 3.18Å; G119-H136 PolarHBondContact O-CD2 2.96Å; G119-S140 VanDerWaalsContact C-OG 3.28Å; G119-S140 WeakPolarHBondContact O-CB 3.3Å; G119-S140 PolarHBondContact O-OG 3.43Å
120A97.4Very high96.9Very high5 Ų543.5 Ų43.54%0.04124%0.236CC..  trans-9093.817500000110.3T57 S113 V141 A144T57-A120 VanDerWaalsContact CB-O 3.28Å; T57-A120 WeakPolarHBondContact CB-O 3.3Å; T57-A120 WeakPolarHBondContact CG2-O 3.31Å; T57-A120 PolarHBondContact OG1-O 2.85Å; S113-A120 PolarHBondContact O-N 2.94Å; A120-V141 HydrophobicContact CB-CG2 4.46Å; A120-A144 HydrophobicContact CB-CB 4.2Å
121G96.8Very high96.8Very high4 Ų443.4 Ų43.44%0.04124%0.236CC..  trans-102.934-176.900000113.9G119 H136G119-G121 PolarHBondContact O-N 3.18Å; G121-H136 PolarHBondContact N-NE2 2.97Å; G121-H136 VanDerWaalsContact N-NE2 3.18Å
122T96.3Very high96.7Very high10 Ų1042.3 Ų42.36%0.06123%0.233CC..SBendtrans-92.2-4.3-169.9570000114L130 H136 V141T122-L130 HydrophobicContact CG2-CG 4.34Å; T122-H136 VanDerWaalsContact CG2-CE1 3.47Å; T122-H136 WeakPolarHBondContact CG2-CE1 3.43Å; T122-V141 HydrophobicContact CG2-CG2 3.95Å
123G96.3Very high96.5Very high14 Ų1441.2 Ų41.214%0.14424%0.235CC..THydrogen-bonded Turntrans78157.7-161.400000111.6T57 T125 V126T57-G123 VanDerWaalsContact OG1-CA 3.23Å; T57-G123 WeakPolarHBondContact OG1-CA 3.49Å; T57-G123 PolarHBondContact OG1-N 3.44Å; G123-T125 PolarHBondContact O-N 3.32Å; G123-V126 PolarHBondContact O-N 3.49Å
124W96.7Very high96.2Very high42 Ų4248 Ų4816%0.15927%0.269CS..THydrogen-bonded Turntrans-64.6-10.7-178.172.3-84000114.4A60 F61 I64 F233 W234 F375A60-W124 HydrophobicContact CB-CB 3.6Å; A60-W124 HydrophobicContact CB-CG 3.73Å; F61-W124 HydrophobicContact CD1-CB 4.13Å; F61-W124 HydrophobicContact CE1-CB 3.97Å; F61-W124 WeakPolarHBondContact CE1-O 3.43Å; F61-W124 HydrophobicContact CE2-CB 4.42Å; F61-W124 HydrophobicContact CG-CB 4.4Å; F61-W124 HydrophobicContact CZ-CB 4.14Å; F61-W124 VanDerWaalsContact CZ-O 3.23Å; F61-W124 WeakPolarHBondContact CZ-O 3.38Å; I64-W124 HydrophobicContact CD1-CD2 4.23Å; I64-W124 HydrophobicContact CD1-CE3 3.97Å; I64-W124 HydrophobicContact CD1-CH2 4.5Å; I64-W124 HydrophobicContact CD1-CZ3 4.09Å; W124-F233 HydrophobicContact CD2-CZ 4.5Å; W124-F233 AromaticContact CE3-CZ 3.73Å; W124-F233 HydrophobicContact CE3-CZ 3.73Å; W124-F233 HydrophobicContact CH2-CE1 4.15Å; W124-F233 AromaticContact CH2-CZ 3.96Å; W124-F233 HydrophobicContact CH2-CZ 3.96Å; W124-F233 HydrophobicContact CZ3-CE1 4.09Å; W124-F233 HydrophobicContact CZ3-CE2 4.45Å; W124-F233 AromaticContact CZ3-CZ 3.44Å; W124-F233 HydrophobicContact CZ3-CZ 3.44Å; W124-F233 VanDerWaalsContact CZ3-CZ 3.44Å; W124-W234 AromaticContact CH2-CH2 3.88Å; W124-W234 HydrophobicContact CH2-CH2 3.88Å; W124-W234 AromaticContact CH2-CZ3 3.83Å; W124-W234 HydrophobicContact CH2-CZ3 3.83Å; W124-W234 AromaticContact CZ2-CH2 3.77Å; W124-W234 HydrophobicContact CZ2-CH2 3.77Å; W124-W234 HydrophobicContact CZ2-CZ3 4.18Å; W124-F375 HydrophobicContact CZ2-CZ 4.46Å
125T97.3Very high96.1Very high3 Ų348.8 Ų48.82%0.01828%0.279CS..THydrogen-bonded Turntrans-86.7-14.4176.264.50000113.3G123 Y127 Y229 F233 W234G123-T125 PolarHBondContact O-N 3.32Å; T125-Y127 VanDerWaalsContact C-N 3.29Å; T125-Y127 VanDerWaalsContact CB-CE1 3.45Å; T125-Y127 VanDerWaalsContact CB-CZ 3.45Å; T125-Y127 HydrophobicContact CG2-CE1 4.32Å; T125-Y127 HydrophobicContact CG2-CE2 4.38Å; T125-Y127 WeakPolarHBondContact O-CD1 3.29Å; T125-Y127 PolarHBondContact O-N 2.81Å; T125-Y127 WeakPolarHBondContact OG1-CD2 3.49Å; T125-Y127 VanDerWaalsContact OG1-CE2 3.28Å; T125-Y127 WeakPolarHBondContact OG1-CE2 3.38Å; T125-Y229 WeakPolarHBondContact O-CE1 3.47Å; T125-Y229 PolarHBondContact O-OH 3.46Å; T125-F233 HydrophobicContact CG2-CD1 4.43Å; T125-F233 HydrophobicContact CG2-CE1 3.6Å; T125-F233 HydrophobicContact CG2-CZ 3.76Å; T125-W234 HydrophobicContact CG2-CH2 4.24Å; T125-W234 HydrophobicContact CG2-CZ2 4.02Å
126V97.7Very high96.1Very high3 Ų342.2 Ų42.22%0.01825%0.246CC..THydrogen-bonded Turntrans5340.9172.5-157.10000113.6F61 G123 S131 V141 L207 Y229F61-V126 HydrophobicContact CE2-CG2 4.25Å; F61-V126 HydrophobicContact CZ-CG2 3.54Å; G123-V126 PolarHBondContact O-N 3.49Å; V126-S131 VanDerWaalsContact O-CB 3.29Å; V126-S131 WeakPolarHBondContact O-CB 3.46Å; V126-S131 PolarHBondContact O-OG 3.1Å; V126-V141 HydrophobicContact CG1-CG1 4.01Å; V126-L207 HydrophobicContact CG1-CD2 3.73Å; V126-Y229 PolarHBondContact O-OH 3.46Å
127Y97.7Very high95.9Very high35 Ų3543.5 Ų43.514%0.13727%0.267CS..  trans-69130.9-175.9-65.3-29.1000113.7T125 L130 S131 Y229 Q230 F233 W234T125-Y127 VanDerWaalsContact C-N 3.29Å; T125-Y127 VanDerWaalsContact CB-CE1 3.45Å; T125-Y127 VanDerWaalsContact CB-CZ 3.45Å; T125-Y127 HydrophobicContact CG2-CE1 4.32Å; T125-Y127 HydrophobicContact CG2-CE2 4.38Å; T125-Y127 WeakPolarHBondContact O-CD1 3.29Å; T125-Y127 PolarHBondContact O-N 2.81Å; T125-Y127 WeakPolarHBondContact OG1-CD2 3.49Å; T125-Y127 VanDerWaalsContact OG1-CE2 3.28Å; T125-Y127 WeakPolarHBondContact OG1-CE2 3.38Å; Y127-L130 WeakPolarHBondContact O-CB 3.3Å; Y127-L130 PolarHBondContact O-N 3.24Å; Y127-S131 PolarHBondContact O-N 3Å; Y127-S131 PolarHBondContact O-OG 3.34Å; Y127-Y229 AromaticContact CD1-CD1 3.67Å; Y127-Y229 HydrophobicContact CD1-CD1 3.67Å; Y127-Y229 AromaticContact CD1-CE1 3.74Å; Y127-Y229 HydrophobicContact CD1-CE1 3.74Å; Y127-Y229 HydrophobicContact CE1-CD1 4.27Å; Y127-Y229 HydrophobicContact CE1-CE1 4.29Å; Y127-Q230 HydrophobicContact CD1-CG 4.06Å; Y127-Q230 HydrophobicContact CE1-CB 4.5Å; Y127-Q230 HydrophobicContact CE1-CG 3.85Å; Y127-F233 HydrophobicContact CE1-CD1 4.16Å; Y127-F233 HydrophobicContact CE1-CG 4.41Å; Y127-W234 AromaticContact CZ-NE1 3.85Å; Y127-W234 WeakPolarHBondContact OH-CZ2 3.21Å; Y127-W234 PolarHBondContact OH-NE1 2.97Å
128P97.6Very high96Very high11 Ų1137.6 Ų37.67%0.07125%0.246CC..THydrogen-bonded Turntrans-71.815316230.1-31.7000110.2L130 S131 L207 F218 Y229P128-L130 VanDerWaalsContact C-N 3.35Å; P128-S131 VanDerWaalsContact N-OG 3.11Å; P128-L207 HydrophobicContact CB-CD1 4.26Å; P128-F218 HydrophobicContact CB-CB 4.01Å; P128-F218 HydrophobicContact CG-CB 3.63Å; P128-F218 HydrophobicContact CG-CD2 4.16Å; P128-F218 HydrophobicContact CG-CG 3.9Å; P128-Y229 HydrophobicContact CG-CD2 4.03Å; P128-Y229 HydrophobicContact CG-CG 3.83Å
129P96.4Very high96.1Very high78 Ų7833.6 Ų33.651%0.50623%0.231SC..THydrogen-bonded Turncis-81.4-3.91.933.7-36.1000114.1S131 A132P129-S131 VanDerWaalsContact C-N 3.28Å; P129-S131 PolarHBondContact O-N 2.7Å; P129-A132 WeakPolarHBondContact O-CB 3.5Å; P129-A132 PolarHBondContact O-N 3.08Å
130L96.8Very high96.2Very high85 Ų8533.7 Ų33.745%0.44523%0.232SC..THydrogen-bonded Turntrans-61-37.3-179.8-17863.3000112.1T122 Y127 P128 A135 H136T122-L130 HydrophobicContact CG2-CG 4.34Å; Y127-L130 WeakPolarHBondContact O-CB 3.3Å; Y127-L130 PolarHBondContact O-N 3.24Å; P128-L130 VanDerWaalsContact C-N 3.35Å; L130-A135 HydrophobicContact CD1-CB 3.98Å; L130-A135 WeakPolarHBondContact O-CB 3.49Å; L130-H136 PolarHBondContact O-ND1 3.38Å
131S97.6Very high96.2Very high0 Ų033.5 Ų33.50%023%0.23CC..THydrogen-bonded Turntrans-85.6-4.9174.464.70000114.7V126 Y127 P128 P129 L207 R211V126-S131 VanDerWaalsContact O-CB 3.29Å; V126-S131 WeakPolarHBondContact O-CB 3.46Å; V126-S131 PolarHBondContact O-OG 3.1Å; Y127-S131 PolarHBondContact O-N 3Å; Y127-S131 PolarHBondContact O-OG 3.34Å; P128-S131 VanDerWaalsContact N-OG 3.11Å; P129-S131 VanDerWaalsContact C-N 3.28Å; P129-S131 PolarHBondContact O-N 2.7Å; S131-L207 WeakPolarHBondContact OG-CD2 3.42Å; S131-R211 WeakPolarHBondContact O-CD 3.35Å; S131-R211 PolarHBondContact O-NH1 3.42Å
132A96.1Very high96.3Very high20 Ų2034 Ų3417%0.16523%0.232CC..SBendtrans-80.2172176.800000111.4P129 I134 A135 H136P129-A132 WeakPolarHBondContact O-CB 3.5Å; P129-A132 PolarHBondContact O-N 3.08Å; A132-I134 PolarHBondContact O-N 2.91Å; A132-I134 VanDerWaalsContact O-N 3.09Å; A132-A135 PolarHBondContact O-N 3.4Å; A132-H136 PolarHBondContact O-N 3Å
133G92.6Very high96.4Very high43 Ų4335.2 Ų35.244%0.44324%0.238SC..THydrogen-bonded Turntrans-60.3-20.6-178.300000114.7G137G133-G137 WeakPolarHBondContact O-CA 3.48Å; G133-G137 PolarHBondContact O-N 2.96Å
134I92.3Very high96.5Very high146 Ų14634.7 Ų34.775%0.74923%0.232SC*.THydrogen-bonded Turntrans-63.9-41.3178.7-62.4172.5000111.7A132A132-I134 PolarHBondContact O-N 2.91Å; A132-I134 VanDerWaalsContact O-N 3.09Å
135A94.7Very high96.6Very high57 Ų5732.8 Ų32.847%0.47123%0.225SC..THydrogen-bonded Turntrans-107.3-30-177.500000113.2L130 A132L130-A135 HydrophobicContact CD1-CB 3.98Å; L130-A135 WeakPolarHBondContact O-CB 3.49Å; A132-A135 PolarHBondContact O-N 3.4Å
136H96.1Very high96.7Very high12 Ų1237.4 Ų37.46%0.05625%0.245CC..  trans-126.774175.1-74.380.2000110.4Q50 G119 G121 T122 L130 A132 G138 V141 R211Q50-H136 PolarHBondContact NE2-NE2 3.47Å; Q50-H136 VanDerWaalsContact NE2-NE2 3.16Å; G119-H136 PolarHBondContact O-CD2 2.96Å; G121-H136 PolarHBondContact N-NE2 2.97Å; G121-H136 VanDerWaalsContact N-NE2 3.18Å; T122-H136 VanDerWaalsContact CG2-CE1 3.47Å; T122-H136 WeakPolarHBondContact CG2-CE1 3.43Å; L130-H136 PolarHBondContact O-ND1 3.38Å; A132-H136 PolarHBondContact O-N 3Å; H136-G138 PolarHBondContact O-N 3.15Å; H136-V141 HydrophobicContact CB-CG2 3.58Å; H136-R211 PolarHBondContact O-NH1 3.41Å; H136-R211 PolarHBondContact O-NH2 3.35Å
137G93.2Very high96.7Very high67 Ų6737.2 Ų37.269%0.69124%0.244SC*.  trans-68.9-15.5-178.700000115.5G133G133-G137 WeakPolarHBondContact O-CA 3.48Å; G133-G137 PolarHBondContact O-N 2.96Å
138G94.5Very high96.8Very high24 Ų2436 Ų3625%0.24724%0.24CC..SBendtrans-83.1173.7179.400000114.2H136 S140 R211H136-G138 PolarHBondContact O-N 3.15Å; G138-S140 PolarHBondContact O-N 2.81Å; G138-R211 PolarHBondContact O-NH2 2.92Å
139A97.1Very high96.8Very high46 Ų4637.3 Ų37.338%0.3825%0.245SC..THydrogen-bonded Turntrans-75.1-0.9-177.100000115V116 V141 D142 L143V116-A139 HydrophobicContact CG1-CB 4.37Å; A139-V141 PolarHBondContact O-N 3.5Å; A139-D142 WeakPolarHBondContact CA-OD2 3.35Å; A139-D142 PolarHBondContact O-N 3.21Å; A139-L143 WeakPolarHBondContact O-CG 3.39Å; A139-L143 PolarHBondContact O-N 3.29Å
140S98Very high96.9Very high3 Ų335.8 Ų35.82%0.02123%0.232CC..Hα-helixtrans-60.2-47.1-175.459.60000112.2S113 V116 G119 G138 D142 L143 A144S113-S140 WeakPolarHBondContact CB-O 2.96Å; S113-S140 WeakPolarHBondContact O-CB 3.4Å; V116-S140 WeakPolarHBondContact O-CB 3.4Å; G119-S140 VanDerWaalsContact C-OG 3.28Å; G119-S140 WeakPolarHBondContact O-CB 3.3Å; G119-S140 PolarHBondContact O-OG 3.43Å; G138-S140 PolarHBondContact O-N 2.81Å; S140-D142 VanDerWaalsContact C-N 3.31Å; S140-D142 PolarHBondContact O-N 3.25Å; S140-L143 PolarHBondContact O-N 3.5Å; S140-A144 PolarHBondContact O-N 2.91Å; S140-A144 VanDerWaalsContact O-N 3.13Å
141V98.4Very high97Very high1 Ų131.9 Ų31.91%0.00621%0.212CC..Hα-helixtrans-66.2-35.5177.4177.20000111.3A120 T122 V126 H136 A139 A144 I145A120-V141 HydrophobicContact CB-CG2 4.46Å; T122-V141 HydrophobicContact CG2-CG2 3.95Å; V126-V141 HydrophobicContact CG1-CG1 4.01Å; H136-V141 HydrophobicContact CB-CG2 3.58Å; A139-V141 PolarHBondContact O-N 3.5Å; V141-A144 PolarHBondContact O-N 2.88Å; V141-I145 HydrophobicContact CG1-CD1 3.98Å; V141-I145 HydrophobicContact CG1-CG1 4.38Å; V141-I145 VanDerWaalsContact O-CG1 3.3Å; V141-I145 WeakPolarHBondContact O-CG1 3.41Å; V141-I145 PolarHBondContact O-N 2.89Å
142D98.4Very high97Very high14 Ų1432.4 Ų32.48%0.07522%0.217CC..Hα-helixtrans-65.8-41.4179-53.3-54000111.4A139 S140 A144 I145 F146 L208 R211 N212A139-D142 WeakPolarHBondContact CA-OD2 3.35Å; A139-D142 PolarHBondContact O-N 3.21Å; S140-D142 VanDerWaalsContact C-N 3.31Å; S140-D142 PolarHBondContact O-N 3.25Å; D142-A144 PolarHBondContact O-N 2.87Å; D142-I145 WeakPolarHBondContact O-CB 3.19Å; D142-I145 PolarHBondContact O-N 3.23Å; D142-F146 HydrophobicContact CB-CE2 4.49Å; D142-F146 WeakPolarHBondContact O-CD2 3.46Å; D142-F146 PolarHBondContact O-N 3.01Å; D142-L208 HydrophobicContact CB-CD1 3.95Å; D142-L208 WeakPolarHBondContact OD1-CD1 3.34Å; D142-R211 IonicContact OD1-CZ 3.62Å; D142-R211 IonicContact OD1-NE 2.77Å; D142-R211 PolarHBondContact OD1-NE 3.12Å; D142-R211 IonicContact OD1-NH2 3.53Å; D142-R211 PolarHBondContact OD1-NH2 3.11Å; D142-R211 IonicContact OD2-CZ 3.82Å; D142-R211 IonicContact OD2-NE 3.4Å; D142-R211 IonicContact OD2-NH2 3.61Å; D142-R211 PolarHBondContact OD2-NH2 2.73Å; D142-N212 PolarHBondContact OD1-ND2 2.9Å
143L98.5Very high97.2Very high36 Ų3635.1 Ų35.119%0.18823%0.228CC..Hα-helixtrans-62.6-40.8173.5-70171.2000112.2L109 V112 V116 A139 S140 F146 S147L109-L143 HydrophobicContact CD2-CD2 3.98Å; V112-L143 HydrophobicContact CG1-CD1 3.87Å; V116-L143 HydrophobicContact CB-CD1 4.02Å; V116-L143 HydrophobicContact CG1-CD1 4.27Å; V116-L143 HydrophobicContact CG2-CD1 3.83Å; A139-L143 WeakPolarHBondContact O-CG 3.39Å; A139-L143 PolarHBondContact O-N 3.29Å; S140-L143 PolarHBondContact O-N 3.5Å; L143-F146 PolarHBondContact O-N 3.17Å; L143-S147 WeakPolarHBondContact O-CB 3.39Å; L143-S147 PolarHBondContact O-N 3.21Å
144A98.6Very high97.5Very high3 Ų333.2 Ų33.23%0.02521%0.208CC..Hα-helixtrans-63.5-41.5173.800000111.3A120 S140 V141 D142 S147 L148A120-A144 HydrophobicContact CB-CB 4.2Å; S140-A144 PolarHBondContact O-N 2.91Å; S140-A144 VanDerWaalsContact O-N 3.13Å; V141-A144 PolarHBondContact O-N 2.88Å; D142-A144 PolarHBondContact O-N 2.87Å; A144-S147 WeakPolarHBondContact O-CB 3.47Å; A144-S147 PolarHBondContact O-N 3.29Å; A144-L148 WeakPolarHBondContact O-CG 3.21Å; A144-L148 PolarHBondContact O-N 3.44Å
145I98.7Very high97.8Very high1 Ų127 Ų271%0.00518%0.177CC..Hα-helixtrans-61.5-45.6174.9-70.8168.5000110.9V141 D142 S147 L148 H149 I204 L207 L208V141-I145 HydrophobicContact CG1-CD1 3.98Å; V141-I145 HydrophobicContact CG1-CG1 4.38Å; V141-I145 VanDerWaalsContact O-CG1 3.3Å; V141-I145 WeakPolarHBondContact O-CG1 3.41Å; V141-I145 PolarHBondContact O-N 2.89Å; D142-I145 WeakPolarHBondContact O-CB 3.19Å; D142-I145 PolarHBondContact O-N 3.23Å; I145-S147 VanDerWaalsContact C-N 3.32Å; I145-S147 PolarHBondContact O-N 3.29Å; I145-L148 PolarHBondContact O-N 3.3Å; I145-H149 WeakPolarHBondContact CG2-CE1 3.39Å; I145-H149 WeakPolarHBondContact CG2-ND1 2.95Å; I145-H149 PolarHBondContact O-N 2.85Å; I145-H149 PolarHBondContact O-ND1 2.82Å; I145-I204 HydrophobicContact CG1-CB 4.33Å; I145-I204 HydrophobicContact CG2-CB 4.04Å; I145-I204 HydrophobicContact CG2-CD1 4.26Å; I145-I204 HydrophobicContact CG2-CG1 4.22Å; I145-L207 HydrophobicContact CD1-CB 4.49Å; I145-L207 HydrophobicContact CD1-CD2 4Å; I145-L207 HydrophobicContact CD1-CG 4.11Å; I145-L208 HydrophobicContact CD1-CB 4.23Å; I145-L208 HydrophobicContact CD1-CD1 4.24Å; I145-L208 HydrophobicContact CG2-CB 4.21Å; I145-L208 HydrophobicContact CG2-CD1 4.3Å; I145-L208 HydrophobicContact CG2-CD2 4.36Å
146F98.8Very high97.9Very high100 Ų10026.4 Ų26.444%0.43917%0.166SC..Hα-helixtrans-65-35.8177.1-70.3-53.7000112.6L109 D142 L143 H149 L150 L208L109-F146 HydrophobicContact CD1-CB 3.89Å; D142-F146 HydrophobicContact CB-CE2 4.49Å; D142-F146 WeakPolarHBondContact O-CD2 3.46Å; D142-F146 PolarHBondContact O-N 3.01Å; L143-F146 PolarHBondContact O-N 3.17Å; F146-H149 PolarHBondContact O-N 3.04Å; F146-L150 PolarHBondContact O-N 3.22Å; F146-L150 VanDerWaalsContact O-N 3.1Å; F146-L208 HydrophobicContact CE1-CD2 3.79Å; F146-L208 HydrophobicContact CZ-CD1 4.36Å; F146-L208 HydrophobicContact CZ-CD2 3.88Å
147S98.8Very high98.1Very high0 Ų027.6 Ų27.60%017%0.172CC..Hα-helixtrans-57.3-50171.5177.80000111.6A106 L110 L143 A144 I145 H149 L150 A151A106-S147 VanDerWaalsContact O-CB 3.28Å; A106-S147 WeakPolarHBondContact O-CB 3.27Å; A106-S147 PolarHBondContact O-OG 2.95Å; L110-S147 WeakPolarHBondContact CB-OG 3.45Å; L143-S147 WeakPolarHBondContact O-CB 3.39Å; L143-S147 PolarHBondContact O-N 3.21Å; A144-S147 WeakPolarHBondContact O-CB 3.47Å; A144-S147 PolarHBondContact O-N 3.29Å; I145-S147 VanDerWaalsContact C-N 3.32Å; I145-S147 PolarHBondContact O-N 3.29Å; S147-H149 VanDerWaalsContact C-N 3.34Å; S147-H149 PolarHBondContact O-N 3.03Å; S147-L150 PolarHBondContact O-N 3.3Å; S147-A151 PolarHBondContact O-N 2.98Å
148L98.6Very high98.3Very high9 Ų924.6 Ų24.65%0.04714%0.142CC..Hα-helixtrans-64.3-36.3179.8-67.1176.2000112.5F61 F65 A144 I145 G152 I204F61-L148 HydrophobicContact CD1-CD2 3.82Å; F61-L148 HydrophobicContact CE1-CD1 3.78Å; F61-L148 HydrophobicContact CE1-CD2 3.73Å; F61-L148 HydrophobicContact CE1-CG 4.27Å; F61-L148 HydrophobicContact CZ-CD1 3.9Å; F61-L148 HydrophobicContact CZ-CD2 4.5Å; F65-L148 HydrophobicContact CD2-CD2 3.87Å; F65-L148 HydrophobicContact CE2-CD2 3.8Å; F65-L148 HydrophobicContact CG-CD2 4.43Å; F65-L148 HydrophobicContact CZ-CD2 4.3Å; A144-L148 WeakPolarHBondContact O-CG 3.21Å; A144-L148 PolarHBondContact O-N 3.44Å; I145-L148 PolarHBondContact O-N 3.3Å; L148-G152 PolarHBondContact O-N 2.77Å; L148-I204 HydrophobicContact CB-CD1 3.79Å
149H98.8Very high98.5Very high39 Ų3923.5 Ų23.518%0.18113%0.131CC..Hα-helixtrans-61.2-48.3172.8-78.696.1000112.2I145 F146 S147 G152 I153 I204 T205I145-H149 WeakPolarHBondContact CG2-CE1 3.39Å; I145-H149 WeakPolarHBondContact CG2-ND1 2.95Å; I145-H149 PolarHBondContact O-N 2.85Å; I145-H149 PolarHBondContact O-ND1 2.82Å; F146-H149 PolarHBondContact O-N 3.04Å; S147-H149 VanDerWaalsContact C-N 3.34Å; S147-H149 PolarHBondContact O-N 3.03Å; H149-G152 PolarHBondContact O-N 2.75Å; H149-I153 VanDerWaalsContact O-CG1 3.28Å; H149-I153 WeakPolarHBondContact O-CG1 3.48Å; H149-I153 PolarHBondContact O-N 3.13Å; H149-I204 VanDerWaalsContact CE1-CD1 3.47Å; H149-I204 WeakPolarHBondContact CE1-CD1 3.36Å; H149-I204 WeakPolarHBondContact CE1-CG1 3.06Å; H149-I204 WeakPolarHBondContact ND1-CD1 3.24Å; H149-T205 PolarHBondContact NE2-OG1 3.01Å
150L98.6Very high98.6Very high45 Ų4523.5 Ų23.524%0.23613%0.126CC..Hα-helixtrans-64.3-42179.8-69.8-176.1000111.9L102 P105 A106 L109 F146 S147 G152 I153 S154L102-L150 HydrophobicContact CD2-CD2 4.25Å; P105-L150 HydrophobicContact CB-CD1 4.11Å; A106-L150 HydrophobicContact CB-CB 3.68Å; L109-L150 HydrophobicContact CD1-CD1 3.66Å; F146-L150 PolarHBondContact O-N 3.22Å; F146-L150 VanDerWaalsContact O-N 3.1Å; S147-L150 PolarHBondContact O-N 3.3Å; L150-G152 VanDerWaalsContact C-N 3.33Å; L150-I153 PolarHBondContact O-N 2.83Å; L150-S154 WeakPolarHBondContact O-CB 3.36Å; L150-S154 PolarHBondContact O-N 2.72Å
151A98.7Very high98.6Very high3 Ų323.4 Ų23.43%0.02513%0.125CC..Hα-helixtrans-64.4-37.1174.500000112.3F66 L103 A106 S147 S154 S155F66-A151 HydrophobicContact CE1-CB 4.37Å; F66-A151 HydrophobicContact CZ-CB 4.19Å; L103-A151 HydrophobicContact CD2-CB 4.38Å; A106-A151 HydrophobicContact CB-CB 4.21Å; S147-A151 PolarHBondContact O-N 2.98Å; A151-S154 WeakPolarHBondContact O-CB 3.37Å; A151-S155 PolarHBondContact O-N 3.18Å; A151-S155 VanDerWaalsContact O-N 3.1Å; A151-S155 PolarHBondContact O-OG 2.91Å
152G98.5Very high98.6Very high11 Ų1123.5 Ų23.511%0.11313%0.125CC..Hα-helixtrans-64.3-46.7174.100000112.5L148 H149 L150 S154 S155 I156L148-G152 PolarHBondContact O-N 2.77Å; H149-G152 PolarHBondContact O-N 2.75Å; L150-G152 VanDerWaalsContact C-N 3.33Å; G152-S154 VanDerWaalsContact C-N 3.35Å; G152-S154 PolarHBondContact O-N 3.39Å; G152-S155 PolarHBondContact O-N 3.44Å; G152-I156 WeakPolarHBondContact O-CG1 3.42Å; G152-I156 PolarHBondContact O-N 2.89Å
153I98.7Very high98.6Very high78 Ų7823.9 Ų23.940%0.413%0.127SC..Hα-helixtrans-61.1-45.1176.6-65162.9000110.5L102 H149 L150 S155 I156 L157L102-I153 HydrophobicContact CD1-CB 4.26Å; L102-I153 HydrophobicContact CD1-CG2 3.68Å; H149-I153 VanDerWaalsContact O-CG1 3.28Å; H149-I153 WeakPolarHBondContact O-CG1 3.48Å; H149-I153 PolarHBondContact O-N 3.13Å; L150-I153 PolarHBondContact O-N 2.83Å; I153-S155 VanDerWaalsContact C-N 3.29Å; I153-S155 PolarHBondContact O-N 2.81Å; I153-I156 PolarHBondContact O-N 3.49Å; I153-L157 HydrophobicContact CG2-CD1 4.04Å; I153-L157 HydrophobicContact CG2-CG 4.33Å; I153-L157 WeakPolarHBondContact O-CG 3.43Å; I153-L157 PolarHBondContact O-N 3.31Å
154S98.7Very high98.6Very high2 Ų223.7 Ų23.71%0.01413%0.127CC..Hα-helixtrans-49.9-51.5173.7168.50000111.4S99 L150 A151 G152 L157 G158S99-S154 VanDerWaalsContact CB-O 3.32Å; S99-S154 WeakPolarHBondContact CB-O 3.3Å; S99-S154 VanDerWaalsContact O-CB 3.3Å; S99-S154 WeakPolarHBondContact O-CB 3.41Å; S99-S154 PolarHBondContact O-OG 2.89Å; L150-S154 WeakPolarHBondContact O-CB 3.36Å; L150-S154 PolarHBondContact O-N 2.72Å; A151-S154 WeakPolarHBondContact O-CB 3.37Å; G152-S154 VanDerWaalsContact C-N 3.35Å; G152-S154 PolarHBondContact O-N 3.39Å; S154-L157 PolarHBondContact O-N 2.98Å; S154-G158 PolarHBondContact O-N 3.37Å
155S98.5Very high98.6Very high15 Ų1523.5 Ų23.511%0.10513%0.126CC..Hα-helixtrans-70.4-37.6-175.2-57.30000113M69 A151 G152 I153 G158 A159 L197M69-S155 PolarHBondContact SD-OG 3.35Å; M69-S155 VanDerWaalsContact SD-OG 3.34Å; A151-S155 PolarHBondContact O-N 3.18Å; A151-S155 VanDerWaalsContact O-N 3.1Å; A151-S155 PolarHBondContact O-OG 2.91Å; G152-S155 PolarHBondContact O-N 3.44Å; I153-S155 VanDerWaalsContact C-N 3.29Å; I153-S155 PolarHBondContact O-N 2.81Å; S155-G158 PolarHBondContact O-N 3.15Å; S155-A159 WeakPolarHBondContact O-CB 3.11Å; S155-A159 PolarHBondContact O-N 2.82Å; S155-L197 VanDerWaalsContact CB-CD1 3.45Å
156I98.7Very high98.5Very high46 Ų4623.6 Ų23.624%0.23613%0.127CC..Hα-helixtrans-64.2-45.2174.9-68.5166.8000110.8G152 I153 G158 A159 V160 L194 L197 P198G152-I156 WeakPolarHBondContact O-CG1 3.42Å; G152-I156 PolarHBondContact O-N 2.89Å; I153-I156 PolarHBondContact O-N 3.49Å; I156-G158 VanDerWaalsContact C-N 3.34Å; I156-G158 PolarHBondContact O-N 3.41Å; I156-A159 WeakPolarHBondContact O-CB 3.39Å; I156-A159 PolarHBondContact O-N 3.29Å; I156-V160 WeakPolarHBondContact O-CG2 3.37Å; I156-V160 PolarHBondContact O-N 3.2Å; I156-L194 HydrophobicContact CG2-CD1 4.08Å; I156-L197 HydrophobicContact CD1-CB 3.97Å; I156-L197 HydrophobicContact CG1-CB 3.98Å; I156-L197 HydrophobicContact CG1-CD1 3.94Å; I156-P198 HydrophobicContact CD1-CG 4.3Å
157L98.6Very high98.4Very high36 Ų3623.4 Ų23.419%0.18813%0.129CC..Hα-helixtrans-61.8-43.1176.5-68.7177.1000111.4M95 M98 L102 I153 S154 N161M95-L157 HydrophobicContact CE-CD2 4.27Å; M95-L157 HydrophobicContact CG-CB 3.92Å; M95-L157 HydrophobicContact CG-CD2 4.03Å; M95-L157 HydrophobicContact CG-CG 4.43Å; M95-L157 HydrophobicContact SD-CB 4.36Å; M95-L157 HydrophobicContact SD-CD2 4.04Å; M98-L157 HydrophobicContact CE-CD1 4.15Å; M98-L157 HydrophobicContact CG-CD1 4.08Å; M98-L157 HydrophobicContact SD-CD1 4.02Å; L102-L157 HydrophobicContact CD1-CD1 3.96Å; I153-L157 HydrophobicContact CG2-CD1 4.04Å; I153-L157 HydrophobicContact CG2-CG 4.33Å; I153-L157 WeakPolarHBondContact O-CG 3.43Å; I153-L157 PolarHBondContact O-N 3.31Å; S154-L157 PolarHBondContact O-N 2.98Å; L157-N161 PolarHBondContact O-N 3.28Å
158G98.5Very high98.2Very high5 Ų528.6 Ų28.65%0.05216%0.157CC..Hα-helixtrans-58.9-46.517300000112.3S154 S155 I156 N161 F162S154-G158 PolarHBondContact O-N 3.37Å; S155-G158 PolarHBondContact O-N 3.15Å; I156-G158 VanDerWaalsContact C-N 3.34Å; I156-G158 PolarHBondContact O-N 3.41Å; G158-N161 WeakPolarHBondContact O-CB 3.29Å; G158-N161 PolarHBondContact O-N 3.39Å; G158-F162 WeakPolarHBondContact O-CD2 3.27Å; G158-F162 PolarHBondContact O-N 2.9Å
159A98.7Very high98Very high1 Ų129.9 Ų29.91%0.00816%0.163CC..Hα-helixtrans-59.5-48.2179.500000112.8S155 I156 N161 F162 I163 A190 L193 L194S155-A159 WeakPolarHBondContact O-CB 3.11Å; S155-A159 PolarHBondContact O-N 2.82Å; I156-A159 WeakPolarHBondContact O-CB 3.39Å; I156-A159 PolarHBondContact O-N 3.29Å; A159-N161 VanDerWaalsContact C-N 3.25Å; A159-N161 PolarHBondContact O-N 3.32Å; A159-F162 PolarHBondContact O-N 3.28Å; A159-I163 WeakPolarHBondContact O-CD1 3.29Å; A159-I163 VanDerWaalsContact O-CG1 3.28Å; A159-I163 WeakPolarHBondContact O-CG1 3.36Å; A159-I163 PolarHBondContact O-N 3.3Å; A159-A190 HydrophobicContact CB-CB 4.01Å; A159-A190 WeakPolarHBondContact CB-O 3.39Å; A159-L193 HydrophobicContact CB-CB 3.97Å; A159-L194 HydrophobicContact CB-CB 4.42Å
160V98.7Very high97.8Very high46 Ų4631 Ų3128%0.27917%0.166SC..Hα-helixtrans-57.1-42.1176.1171.80000111F92 M95 I156 T164 L194F92-V160 HydrophobicContact CE2-CG1 4.33Å; M95-V160 HydrophobicContact SD-CB 4.46Å; M95-V160 HydrophobicContact SD-CG1 4.34Å; I156-V160 WeakPolarHBondContact O-CG2 3.37Å; I156-V160 PolarHBondContact O-N 3.2Å; V160-T164 WeakPolarHBondContact O-CB 3.02Å; V160-T164 PolarHBondContact O-N 3.35Å; V160-T164 PolarHBondContact O-OG1 3.13Å; V160-L194 HydrophobicContact CG2-CD1 3.93Å
161N98.5Very high97.4Very high0 Ų028.9 Ų28.90%016%0.155CC..Hα-helixtrans-66.8-46.1179.1-16923.7000112.3M90 A91 F92 N96 L157 G158 A159 T164 T165M90-N161 HydrophobicContact CE-CB 4.28Å; M90-N161 WeakPolarHBondContact CE-ND2 3.45Å; A91-N161 PolarHBondContact N-OD1 3.5Å; F92-N161 PolarHBondContact N-OD1 3.4Å; N96-N161 VanDerWaalsContact CB-ND2 3.3Å; N96-N161 WeakPolarHBondContact CB-ND2 3.41Å; N96-N161 PolarHBondContact OD1-ND2 2.92Å; L157-N161 PolarHBondContact O-N 3.28Å; G158-N161 WeakPolarHBondContact O-CB 3.29Å; G158-N161 PolarHBondContact O-N 3.39Å; A159-N161 VanDerWaalsContact C-N 3.25Å; A159-N161 PolarHBondContact O-N 3.32Å; N161-T164 PolarHBondContact O-N 2.88Å; N161-T165 WeakPolarHBondContact O-CB 3.32Å; N161-T165 PolarHBondContact O-N 2.89Å; N161-T165 PolarHBondContact O-OG1 3.01Å
162F98.6Very high96.9Very high3 Ų333 Ų331%0.01318%0.18CC..Hα-helixtrans-60.4-48.3175.5-78.2-62.8000112.2I73 G77 V81 M90 G158 A159 T164 T165 V166 V186 A190I73-F162 HydrophobicContact CG2-CD2 4.08Å; I73-F162 HydrophobicContact CG2-CE2 3.5Å; I73-F162 VanDerWaalsContact CG2-CE2 3.5Å; I73-F162 HydrophobicContact CG2-CZ 4.25Å; I73-F162 WeakPolarHBondContact O-CZ 3.12Å; G77-F162 VanDerWaalsContact C-CE1 3.41Å; V81-F162 HydrophobicContact CB-CD1 4.42Å; V81-F162 HydrophobicContact CB-CE1 4.34Å; V81-F162 HydrophobicContact CG1-CD1 4.44Å; V81-F162 HydrophobicContact CG2-CD1 4.24Å; V81-F162 HydrophobicContact CG2-CE1 4.19Å; M90-F162 HydrophobicContact CE-CD1 3.4Å; M90-F162 HydrophobicContact CE-CE1 3.5Å; M90-F162 VanDerWaalsContact CE-CE1 3.5Å; M90-F162 HydrophobicContact CE-CG 3.94Å; M90-F162 HydrophobicContact CE-CZ 4.15Å; M90-F162 HydrophobicContact SD-CD1 4.26Å; M90-F162 HydrophobicContact SD-CE1 4.06Å; G158-F162 WeakPolarHBondContact O-CD2 3.27Å; G158-F162 PolarHBondContact O-N 2.9Å; A159-F162 PolarHBondContact O-N 3.28Å; F162-T164 VanDerWaalsContact C-N 3.34Å; F162-T164 PolarHBondContact O-N 3.14Å; F162-T165 PolarHBondContact O-N 3.42Å; F162-V166 WeakPolarHBondContact O-CB 3.17Å; F162-V166 VanDerWaalsContact O-CG2 3.27Å; F162-V166 WeakPolarHBondContact O-CG2 3.34Å; F162-V166 PolarHBondContact O-N 2.54Å; F162-V186 HydrophobicContact CB-CG1 4.31Å; F162-V186 HydrophobicContact CD1-CG1 3.71Å; F162-V186 HydrophobicContact CD2-CG1 4.33Å; F162-V186 HydrophobicContact CE1-CG1 4.14Å; F162-V186 HydrophobicContact CG-CG1 3.86Å; F162-A190 HydrophobicContact CB-CB 4.01Å
163I98.6Very high96.3Very high22 Ų2234.7 Ų34.711%0.11320%0.197CC..Hα-helixtrans-57.8-49.2179-67.8162.2000110.3A159 T165 V166 I167 V187 A190 L191 L194A159-I163 WeakPolarHBondContact O-CD1 3.29Å; A159-I163 VanDerWaalsContact O-CG1 3.28Å; A159-I163 WeakPolarHBondContact O-CG1 3.36Å; A159-I163 PolarHBondContact O-N 3.3Å; I163-T165 PolarHBondContact O-N 3.13Å; I163-V166 PolarHBondContact O-N 3.11Å; I163-I167 HydrophobicContact CG2-CD1 3.62Å; I163-I167 HydrophobicContact CG2-CG1 4.47Å; I163-I167 WeakPolarHBondContact O-CB 3.26Å; I163-I167 VanDerWaalsContact O-CG1 3.28Å; I163-I167 WeakPolarHBondContact O-CG1 3.4Å; I163-I167 PolarHBondContact O-N 3.25Å; I163-V187 HydrophobicContact CG1-CG2 4.39Å; I163-A190 HydrophobicContact CD1-CB 4.09Å; I163-A190 HydrophobicContact CG1-CB 3.72Å; I163-L191 HydrophobicContact CD1-CD2 3.82Å; I163-L191 HydrophobicContact CD1-CG 4.22Å; I163-L191 HydrophobicContact CG1-CD2 4.34Å; I163-L191 HydrophobicContact CG1-CG 4.43Å; I163-L194 HydrophobicContact CD1-CB 4.49Å; I163-L194 HydrophobicContact CD1-CD2 3.9Å
164T98.4Very high96Very high32 Ų3232.2 Ų32.220%0.19618%0.184CC..Hα-helixtrans-64.5-41.5-178.1-53.20000111.8A91 F92 V160 N161 F162 N168A91-T164 HydrophobicContact CB-CG2 3.76Å; F92-T164 HydrophobicContact CE2-CG2 3.71Å; F92-T164 HydrophobicContact CZ-CG2 3.82Å; V160-T164 WeakPolarHBondContact O-CB 3.02Å; V160-T164 PolarHBondContact O-N 3.35Å; V160-T164 PolarHBondContact O-OG1 3.13Å; N161-T164 PolarHBondContact O-N 2.88Å; F162-T164 VanDerWaalsContact C-N 3.34Å; F162-T164 PolarHBondContact O-N 3.14Å; T164-N168 WeakPolarHBondContact CG2-ND2 3.42Å; T164-N168 WeakPolarHBondContact O-CB 3.39Å; T164-N168 PolarHBondContact O-N 2.66Å; T164-N168 PolarHBondContact O-ND2 3.1Å
165T97.6Very high95.7Very high0 Ų034.2 Ų34.20%020%0.199CC..Hα-helixtrans-62.1-50.4177.4-54.10000110.7L85 M90 A91 N161 F162 I163 I167 N168 M169L85-T165 HydrophobicContact CD1-CG2 4.49Å; M90-T165 HydrophobicContact SD-CG2 4.09Å; A91-T165 WeakPolarHBondContact CB-OG1 3.49Å; A91-T165 PolarHBondContact N-OG1 3.23Å; N161-T165 WeakPolarHBondContact O-CB 3.32Å; N161-T165 PolarHBondContact O-N 2.89Å; N161-T165 PolarHBondContact O-OG1 3.01Å; F162-T165 PolarHBondContact O-N 3.42Å; I163-T165 PolarHBondContact O-N 3.13Å; T165-I167 VanDerWaalsContact C-N 3.34Å; T165-I167 PolarHBondContact O-N 3.17Å; T165-N168 PolarHBondContact O-N 3.43Å; T165-M169 HydrophobicContact CG2-CB 4.31Å; T165-M169 HydrophobicContact CG2-SD 4.21Å; T165-M169 WeakPolarHBondContact O-CA 3.41Å; T165-M169 WeakPolarHBondContact O-CB 3.01Å; T165-M169 PolarHBondContact O-N 2.85Å
166V97.7Very high95.5Very high3 Ų337.7 Ų37.72%0.01822%0.215CC..Hα-helixtrans-64.7-37.9-178.1175.40000111.5V81 L85 F162 I163 R170 M179 V183 V187V81-V166 HydrophobicContact CG1-CG2 3.85Å; L85-V166 HydrophobicContact CD1-CB 4.44Å; L85-V166 HydrophobicContact CD1-CG2 4.12Å; F162-V166 WeakPolarHBondContact O-CB 3.17Å; F162-V166 VanDerWaalsContact O-CG2 3.27Å; F162-V166 WeakPolarHBondContact O-CG2 3.34Å; F162-V166 PolarHBondContact O-N 2.54Å; I163-V166 PolarHBondContact O-N 3.11Å; V166-R170 WeakPolarHBondContact O-CD 3.14Å; V166-R170 WeakPolarHBondContact O-CG 3.43Å; V166-R170 PolarHBondContact O-NH1 3.24Å; V166-M179 HydrophobicContact CG1-CE 4.24Å; V166-M179 HydrophobicContact CG1-SD 3.75Å; V166-V183 HydrophobicContact CB-CG1 4.45Å; V166-V183 HydrophobicContact CG1-CG1 3.88Å; V166-V183 HydrophobicContact CG2-CG1 3.71Å; V166-V187 HydrophobicContact CB-CB 4.38Å; V166-V187 HydrophobicContact CB-CG2 4.28Å; V166-V187 HydrophobicContact CG1-CB 4.12Å; V166-V187 HydrophobicContact CG1-CG1 4.39Å; V166-V187 HydrophobicContact CG1-CG2 4.19Å; V166-V187 HydrophobicContact CG2-CB 4.32Å
167I96Very high95.2Very high96 Ų9639.7 Ų39.749%0.49223%0.227SC..Hα-helixtrans-73.1-42.9-178.9-67.6173.3000111.6I163 T165 R170I163-I167 HydrophobicContact CG2-CD1 3.62Å; I163-I167 HydrophobicContact CG2-CG1 4.47Å; I163-I167 WeakPolarHBondContact O-CB 3.26Å; I163-I167 VanDerWaalsContact O-CG1 3.28Å; I163-I167 WeakPolarHBondContact O-CG1 3.4Å; I163-I167 PolarHBondContact O-N 3.25Å; T165-I167 VanDerWaalsContact C-N 3.34Å; T165-I167 PolarHBondContact O-N 3.17Å; I167-R170 PolarHBondContact O-NH1 3.45Å
168N95Very high94.8Very high109 Ų10945.3 Ų45.358%0.58325%0.245SC*.Hα-helixtrans-106.4-20.2-165.2-62.3-49000115.3T164 T165T164-N168 WeakPolarHBondContact CG2-ND2 3.42Å; T164-N168 WeakPolarHBondContact O-CB 3.39Å; T164-N168 PolarHBondContact O-N 2.66Å; T164-N168 PolarHBondContact O-ND2 3.1Å; T165-N168 PolarHBondContact O-N 3.43Å
169M94.2Very high94.7Very high36 Ų3645.2 Ų45.218%0.17724%0.244CC..  trans-115.725.5-169.2-59.2-179.868.400113.7A87 P88 D89 A91 T165 L506A87-M169 HydrophobicContact CB-CB 4.06Å; A87-M169 HydrophobicContact CB-CE 4.4Å; A87-M169 WeakPolarHBondContact CB-O 3.49Å; P88-M169 HydrophobicContact CG-CE 4.1Å; D89-M169 VanDerWaalsContact O-CE 3.24Å; D89-M169 WeakPolarHBondContact O-CE 3.35Å; A91-M169 WeakPolarHBondContact CA-SD 3.09Å; A91-M169 HydrophobicContact CB-SD 3.68Å; T165-M169 HydrophobicContact CG2-CB 4.31Å; T165-M169 HydrophobicContact CG2-SD 4.21Å; T165-M169 WeakPolarHBondContact O-CA 3.41Å; T165-M169 WeakPolarHBondContact O-CB 3.01Å; T165-M169 PolarHBondContact O-N 2.85Å; M169-L506 HydrophobicContact CB-CD2 4.29Å; M169-L506 WeakPolarHBondContact O-CD2 3.32Å
170R94.3Very high94.6Very high61 Ų6146.4 Ų46.423%0.2325%0.252CS..PPolyproline II helixtrans-73137.6172.3-51.9-167.7-66.3-74.7-8.3109.4L85 V166 I167 I174 M179L85-R170 HydrophobicContact CD1-CG 4.4Å; L85-R170 HydrophobicContact CD2-CB 4.3Å; L85-R170 HydrophobicContact CD2-CG 3.72Å; V166-R170 WeakPolarHBondContact O-CD 3.14Å; V166-R170 WeakPolarHBondContact O-CG 3.43Å; V166-R170 PolarHBondContact O-NH1 3.24Å; I167-R170 PolarHBondContact O-NH1 3.45Å; R170-I174 HydrophobicContact CB-CB 4.37Å; R170-I174 PolarHBondContact NE-O 2.9Å; R170-M179 WeakPolarHBondContact CD-SD 3.48Å
171S91.2Very high94.6Very high1 Ų144.7 Ų44.71%0.00724%0.24CC..PPolyproline II helixtrans-53.5143.4169.7-63.60000110.6L85 G86 G173 I174 P507L85-S171 VanDerWaalsContact O-CB 3.31Å; L85-S171 WeakPolarHBondContact O-CB 3.43Å; L85-S171 PolarHBondContact O-N 3.24Å; L85-S171 PolarHBondContact O-OG 3.21Å; G86-S171 VanDerWaalsContact CA-OG 3.3Å; G86-S171 WeakPolarHBondContact CA-OG 3.48Å; G86-S171 PolarHBondContact O-OG 3.35Å; S171-G173 PolarHBondContact O-N 2.64Å; S171-I174 PolarHBondContact O-N 3.34Å; S171-I174 VanDerWaalsContact O-N 3.13Å; S171-P507 WeakPolarHBondContact CB-O 3.19Å
172T87.8Confident94.6Very high91 Ų9144.7 Ų44.756%0.55824%0.24SC*.BIsolated β-bridgetrans-61.7128.6179.5-58.80000108.8P507 L508 L509T172-P507 PolarHBondContact N-O 3.01Å; T172-L508 HydrophobicContact CG2-CD1 3.52Å; T172-L509 PolarHBondContact O-N 3.07Å
173G85.9Confident94.6Very high46 Ų4644.5 Ų44.547%0.47424%0.24SC..THydrogen-bonded Turntrans109.1-21.1-174.200000114.6S171 S175S171-G173 PolarHBondContact O-N 2.64Å; G173-S175 PolarHBondContact O-N 3.38Å
174I91.6Very high94.5Very high25 Ų2545.2 Ų45.213%0.12824%0.241CC..  trans-85.393.8174.8-54.3177.8000109.9R170 S171 M179 I490 L509R170-I174 HydrophobicContact CB-CB 4.37Å; R170-I174 PolarHBondContact NE-O 2.9Å; S171-I174 PolarHBondContact O-N 3.34Å; S171-I174 VanDerWaalsContact O-N 3.13Å; I174-M179 HydrophobicContact CG2-CG 3.81Å; I174-I490 HydrophobicContact CD1-CD1 4.44Å; I174-L509 HydrophobicContact CD1-CD1 3.85Å; I174-L509 HydrophobicContact CG1-CD1 4.15Å
175S92.8Very high94.6Very high45 Ų4543.7 Ų43.732%0.31523%0.232SC..  trans-70.5163.5166.456.30000111.4G173 D177 R178 M179G173-S175 PolarHBondContact O-N 3.38Å; S175-D177 VanDerWaalsContact C-N 3.31Å; S175-D177 WeakPolarHBondContact CB-OD1 3.35Å; S175-D177 PolarHBondContact O-N 2.85Å; S175-D177 PolarHBondContact OG-OD1 3.23Å; S175-R178 CarbonylContact O-C 3.47Å; S175-R178 PolarHBondContact O-N 2.95Å; S175-R178 WeakPolarHBondContact OG-CD 3.38Å; S175-R178 WeakPolarHBondContact OG-CG 3.23Å; S175-M179 PolarHBondContact O-N 3.25Å
176L93.7Very high94.6Very high87 Ų8743.8 Ų43.846%0.45523%0.232SC..G310 helixtrans-60.9-38.4-175.5-71.4175.4000112.9R178 M179 W184L176-R178 PolarHBondContact O-N 3.4Å; L176-M179 HydrophobicContact CB-CE 4.49Å; L176-M179 HydrophobicContact CD2-CE 3.62Å; L176-M179 HydrophobicContact CD2-SD 3.95Å; L176-M179 PolarHBondContact O-N 3.19Å; L176-W184 HydrophobicContact CB-CZ2 4.12Å; L176-W184 WeakPolarHBondContact O-CZ2 3.4Å; L176-W184 PolarHBondContact O-NE1 3.13Å
177D92.6Very high94.6Very high89 Ų8944.2 Ų44.248%0.47624%0.235SC..G310 helixtrans-68.8-18.9175.361-40.6000113.6S175 L269S175-D177 VanDerWaalsContact C-N 3.31Å; S175-D177 WeakPolarHBondContact CB-OD1 3.35Å; S175-D177 PolarHBondContact O-N 2.85Å; S175-D177 PolarHBondContact OG-OD1 3.23Å; D177-L269 HydrophobicContact CB-CD2 4Å
178R91.3Very high94.8Very high153 Ų15340 Ų4058%0.57721%0.213SC*.G310 helixtrans-99.70.8177.2-65.1-177.1-175.6-174.92113.7S175 L176S175-R178 CarbonylContact O-C 3.47Å; S175-R178 PolarHBondContact O-N 2.95Å; S175-R178 WeakPolarHBondContact OG-CD 3.38Å; S175-R178 WeakPolarHBondContact OG-CG 3.23Å; L176-R178 PolarHBondContact O-N 3.4Å
179M95.4Very high94.9Very high4 Ų434.8 Ų34.82%0.0219%0.185CC..SBendtrans-66.8141.3174.5-69.7-169.6-52.400110.8V166 R170 I174 S175 L176 V183 W184V166-M179 HydrophobicContact CG1-CE 4.24Å; V166-M179 HydrophobicContact CG1-SD 3.75Å; R170-M179 WeakPolarHBondContact CD-SD 3.48Å; I174-M179 HydrophobicContact CG2-CG 3.81Å; S175-M179 PolarHBondContact O-N 3.25Å; L176-M179 HydrophobicContact CB-CE 4.49Å; L176-M179 HydrophobicContact CD2-CE 3.62Å; L176-M179 HydrophobicContact CD2-SD 3.95Å; L176-M179 PolarHBondContact O-N 3.19Å; M179-V183 HydrophobicContact SD-CG1 4.38Å; M179-W184 HydrophobicContact CE-CD2 3.74Å; M179-W184 HydrophobicContact CE-CE3 4.34Å; M179-W184 HydrophobicContact CE-CG 4.13Å; M179-W184 HydrophobicContact CE-CH2 4.23Å; M179-W184 HydrophobicContact CE-CZ2 3.6Å
180P96.7Very high95.2Very high26 Ų2633.2 Ų33.217%0.16918%0.178CC..  trans-55.6144.4174.8-30.439.6000113.5M84 F182 V183 W184M84-P180 HydrophobicContact CB-CG 4.16Å; M84-P180 HydrophobicContact SD-CB 4.23Å; P180-F182 PolarHBondContact O-N 2.64Å; P180-V183 HydrophobicContact CB-CG2 4.16Å; P180-V183 HydrophobicContact CG-CG2 4.4Å; P180-V183 WeakPolarHBondContact O-CB 3.12Å; P180-V183 PolarHBondContact O-N 2.9Å; P180-W184 PolarHBondContact O-N 2.98Å
181L98Very high95.4Very high9 Ų934 Ų345%0.04719%0.186CC..Hα-helixtrans-59.3-33-178.6-70.9176.1000113W184 S185 T265 M271 I272 M275L181-W184 PolarHBondContact O-N 3.12Å; L181-S185 WeakPolarHBondContact O-CB 3.27Å; L181-S185 PolarHBondContact O-N 3.44Å; L181-S185 PolarHBondContact O-OG 3.37Å; L181-T265 HydrophobicContact CD1-CG2 4.44Å; L181-M271 HydrophobicContact CD1-CB 4.1Å; L181-M271 HydrophobicContact CD1-CE 4.42Å; L181-M271 HydrophobicContact CD1-CG 4.2Å; L181-M271 HydrophobicContact CD2-CB 3.75Å; L181-I272 HydrophobicContact CD2-CD1 4.41Å; L181-I272 HydrophobicContact CD2-CG1 3.7Å; L181-M275 HydrophobicContact CD2-CE 4.06Å
182F98.4Very high95.7Very high0 Ų034.1 Ų34.10%019%0.187CC..Hα-helixtrans-62.8-44.8172.2-177.9-102.9000112.7F76 L80 V81 M84 P180 W184 S185 V186 P247 M251F76-F182 HydrophobicContact CB-CE1 4.48Å; F76-F182 HydrophobicContact CB-CE2 4.15Å; F76-F182 HydrophobicContact CB-CZ 3.59Å; L80-F182 HydrophobicContact CB-CD1 3.98Å; L80-F182 HydrophobicContact CB-CE1 3.69Å; L80-F182 HydrophobicContact CD1-CD1 4.29Å; L80-F182 HydrophobicContact CD1-CE1 4.05Å; L80-F182 HydrophobicContact CD1-CZ 4.35Å; L80-F182 HydrophobicContact CG-CE1 4.44Å; V81-F182 HydrophobicContact CG2-CE1 4.15Å; M84-F182 HydrophobicContact CE-CB 4.41Å; M84-F182 HydrophobicContact CE-CD1 4.41Å; M84-F182 HydrophobicContact SD-CB 3.92Å; M84-F182 HydrophobicContact SD-CD1 3.78Å; M84-F182 HydrophobicContact SD-CG 4.26Å; P180-F182 PolarHBondContact O-N 2.64Å; F182-W184 VanDerWaalsContact C-N 3.34Å; F182-W184 PolarHBondContact O-N 3.46Å; F182-S185 WeakPolarHBondContact CA-OG 3.3Å; F182-S185 PolarHBondContact O-N 3.26Å; F182-S185 VanDerWaalsContact O-N 3.14Å; F182-S185 PolarHBondContact O-OG 2.96Å; F182-V186 HydrophobicContact CD1-CG2 4.25Å; F182-V186 HydrophobicContact CD2-CG2 4.48Å; F182-V186 HydrophobicContact CE1-CG2 3.73Å; F182-V186 HydrophobicContact CE2-CG2 4.01Å; F182-V186 HydrophobicContact CZ-CG2 3.59Å; F182-V186 WeakPolarHBondContact O-CG2 3.28Å; F182-V186 PolarHBondContact O-N 3.2Å; F182-P247 WeakPolarHBondContact CD2-O 3.5Å; F182-P247 HydrophobicContact CE2-CB 4.02Å; F182-M251 HydrophobicContact CD2-CG 3.66Å; F182-M251 HydrophobicContact CE2-CG 3.61Å; F182-M251 HydrophobicContact CE2-SD 4.41Å
183V98.4Very high96.2Very high0 Ų029.9 Ų29.90%016%0.161CC..Hα-helixtrans-62.9-42.9177.3-179.40000110.9V81 M84 L85 V166 M179 P180 S185 V186 V187V81-V183 HydrophobicContact CG1-CG1 4.45Å; M84-V183 HydrophobicContact CB-CG2 3.69Å; M84-V183 HydrophobicContact SD-CG2 4.27Å; L85-V183 HydrophobicContact CD1-CG1 4.31Å; L85-V183 HydrophobicContact CD2-CG1 3.95Å; L85-V183 HydrophobicContact CD2-CG2 4.41Å; L85-V183 HydrophobicContact CG-CG1 4.2Å; L85-V183 HydrophobicContact CG-CG2 4.39Å; V166-V183 HydrophobicContact CB-CG1 4.45Å; V166-V183 HydrophobicContact CG1-CG1 3.88Å; V166-V183 HydrophobicContact CG2-CG1 3.71Å; M179-V183 HydrophobicContact SD-CG1 4.38Å; P180-V183 HydrophobicContact CB-CG2 4.16Å; P180-V183 HydrophobicContact CG-CG2 4.4Å; P180-V183 WeakPolarHBondContact O-CB 3.12Å; P180-V183 PolarHBondContact O-N 2.9Å; V183-S185 VanDerWaalsContact C-N 3.33Å; V183-S185 PolarHBondContact O-N 3.36Å; V183-V186 PolarHBondContact O-N 3.32Å; V183-V187 PolarHBondContact O-N 3.04Å
184W98.5Very high96.8Very high37 Ų3730.6 Ų30.614%0.1415%0.153CC..Hα-helixtrans-57.2-45.3172-95112.5000112.5L176 M179 P180 L181 F182 V186 V187 I188 I272 M275 L276L176-W184 HydrophobicContact CB-CZ2 4.12Å; L176-W184 WeakPolarHBondContact O-CZ2 3.4Å; L176-W184 PolarHBondContact O-NE1 3.13Å; M179-W184 HydrophobicContact CE-CD2 3.74Å; M179-W184 HydrophobicContact CE-CE3 4.34Å; M179-W184 HydrophobicContact CE-CG 4.13Å; M179-W184 HydrophobicContact CE-CH2 4.23Å; M179-W184 HydrophobicContact CE-CZ2 3.6Å; P180-W184 PolarHBondContact O-N 2.98Å; L181-W184 PolarHBondContact O-N 3.12Å; F182-W184 VanDerWaalsContact C-N 3.34Å; F182-W184 PolarHBondContact O-N 3.46Å; W184-V186 VanDerWaalsContact C-N 3.33Å; W184-V186 PolarHBondContact O-N 2.98Å; W184-V187 HydrophobicContact CE3-CG1 3.9Å; W184-V187 HydrophobicContact CZ3-CG1 4.38Å; W184-V187 VanDerWaalsContact O-CG1 3.28Å; W184-V187 WeakPolarHBondContact O-CG1 3.41Å; W184-V187 PolarHBondContact O-N 3.06Å; W184-I188 HydrophobicContact CE3-CD1 4.2Å; W184-I188 HydrophobicContact CE3-CG1 4.3Å; W184-I188 WeakPolarHBondContact O-CD1 3.38Å; W184-I188 VanDerWaalsContact O-CG1 3.24Å; W184-I188 WeakPolarHBondContact O-CG1 3.49Å; W184-I188 PolarHBondContact O-N 3.3Å; W184-I188 VanDerWaalsContact O-N 3.08Å; W184-I272 HydrophobicContact CD2-CG1 4.39Å; W184-I272 HydrophobicContact CD2-CG2 3.76Å; W184-I272 HydrophobicContact CE3-CG2 4.09Å; W184-I272 HydrophobicContact CG-CD1 4.36Å; W184-I272 HydrophobicContact CG-CG1 3.98Å; W184-I272 HydrophobicContact CG-CG2 4.2Å; W184-I272 HydrophobicContact CH2-CG2 4.3Å; W184-I272 HydrophobicContact CZ2-CG2 3.98Å; W184-I272 HydrophobicContact CZ3-CG2 4.35Å; W184-M275 HydrophobicContact CB-CE 3.91Å; W184-L276 HydrophobicContact CZ3-CD2 4.32Å
185S98.6Very high97.2Very high0 Ų034.2 Ų34.20%017%0.173CC..Hα-helixtrans-64-38.2179.571.10000112.7L181 F182 V183 T189 L246 P247L181-S185 WeakPolarHBondContact O-CB 3.27Å; L181-S185 PolarHBondContact O-N 3.44Å; L181-S185 PolarHBondContact O-OG 3.37Å; F182-S185 WeakPolarHBondContact CA-OG 3.3Å; F182-S185 PolarHBondContact O-N 3.26Å; F182-S185 VanDerWaalsContact O-N 3.14Å; F182-S185 PolarHBondContact O-OG 2.96Å; V183-S185 VanDerWaalsContact C-N 3.33Å; V183-S185 PolarHBondContact O-N 3.36Å; S185-T189 VanDerWaalsContact O-CB 3.3Å; S185-T189 WeakPolarHBondContact O-CB 3.33Å; S185-T189 PolarHBondContact O-N 2.89Å; S185-T189 VanDerWaalsContact O-N 3.07Å; S185-T189 PolarHBondContact O-OG1 3.43Å; S185-L246 WeakPolarHBondContact CB-O 3.33Å; S185-P247 WeakPolarHBondContact OG-CA 3.49Å
186V98.7Very high97.4Very high1 Ų132.1 Ų32.11%0.00616%0.158CC..Hα-helixtrans-70.2-41.7177.21760000111.4V81 F162 F182 V183 W184 T189 A190 P247V81-V186 HydrophobicContact CG2-CB 4.08Å; V81-V186 HydrophobicContact CG2-CG1 3.98Å; V81-V186 HydrophobicContact CG2-CG2 4.08Å; F162-V186 HydrophobicContact CB-CG1 4.31Å; F162-V186 HydrophobicContact CD1-CG1 3.71Å; F162-V186 HydrophobicContact CD2-CG1 4.33Å; F162-V186 HydrophobicContact CE1-CG1 4.14Å; F162-V186 HydrophobicContact CG-CG1 3.86Å; F182-V186 HydrophobicContact CD1-CG2 4.25Å; F182-V186 HydrophobicContact CD2-CG2 4.48Å; F182-V186 HydrophobicContact CE1-CG2 3.73Å; F182-V186 HydrophobicContact CE2-CG2 4.01Å; F182-V186 HydrophobicContact CZ-CG2 3.59Å; F182-V186 WeakPolarHBondContact O-CG2 3.28Å; F182-V186 PolarHBondContact O-N 3.2Å; V183-V186 PolarHBondContact O-N 3.32Å; W184-V186 VanDerWaalsContact C-N 3.33Å; W184-V186 PolarHBondContact O-N 2.98Å; V186-T189 WeakPolarHBondContact O-CB 3.43Å; V186-T189 PolarHBondContact O-N 3.43Å; V186-A190 WeakPolarHBondContact O-CB 3.27Å; V186-A190 PolarHBondContact O-N 3.13Å; V186-P247 HydrophobicContact CG2-CB 4.45Å
187V98.5Very high97.6Very high13 Ų1328.1 Ų28.18%0.07914%0.137CC..Hα-helixtrans-68.1-38.4179.570.30000112.4I163 V166 V183 W184 T189 A190 L191I163-V187 HydrophobicContact CG1-CG2 4.39Å; V166-V187 HydrophobicContact CB-CB 4.38Å; V166-V187 HydrophobicContact CB-CG2 4.28Å; V166-V187 HydrophobicContact CG1-CB 4.12Å; V166-V187 HydrophobicContact CG1-CG1 4.39Å; V166-V187 HydrophobicContact CG1-CG2 4.19Å; V166-V187 HydrophobicContact CG2-CB 4.32Å; V183-V187 PolarHBondContact O-N 3.04Å; W184-V187 HydrophobicContact CE3-CG1 3.9Å; W184-V187 HydrophobicContact CZ3-CG1 4.38Å; W184-V187 VanDerWaalsContact O-CG1 3.28Å; W184-V187 WeakPolarHBondContact O-CG1 3.41Å; W184-V187 PolarHBondContact O-N 3.06Å; V187-T189 VanDerWaalsContact C-N 3.3Å; V187-T189 PolarHBondContact O-N 3.13Å; V187-A190 PolarHBondContact O-N 2.91Å; V187-L191 WeakPolarHBondContact O-CG 3.3Å; V187-L191 PolarHBondContact O-N 2.95Å
188I98.7Very high97.9Very high7 Ų727.1 Ų27.14%0.03614%0.135CC..Hα-helixtrans-62.7-44.2173.8-64.5165.9000109.4W184 A190 L191 L192 L246 M275 L276W184-I188 HydrophobicContact CE3-CD1 4.2Å; W184-I188 HydrophobicContact CE3-CG1 4.3Å; W184-I188 WeakPolarHBondContact O-CD1 3.38Å; W184-I188 VanDerWaalsContact O-CG1 3.24Å; W184-I188 WeakPolarHBondContact O-CG1 3.49Å; W184-I188 PolarHBondContact O-N 3.3Å; W184-I188 VanDerWaalsContact O-N 3.08Å; I188-A190 VanDerWaalsContact C-N 3.35Å; I188-A190 PolarHBondContact O-N 2.9Å; I188-L191 WeakPolarHBondContact O-CB 3.42Å; I188-L191 PolarHBondContact O-N 3.45Å; I188-L192 WeakPolarHBondContact O-CG 3.19Å; I188-L192 PolarHBondContact O-N 3.08Å; I188-L246 HydrophobicContact CB-CD1 4.33Å; I188-L246 HydrophobicContact CG2-CD1 3.65Å; I188-M275 HydrophobicContact CD1-CB 3.5Å; I188-L276 HydrophobicContact CD1-CD2 3.9Å; I188-L276 HydrophobicContact CD1-CG 3.98Å; I188-L276 HydrophobicContact CG1-CD2 3.91Å
189T98.7Very high98.3Very high0 Ų021.7 Ų21.70%012%0.119CC..Hα-helixtrans-61.9-41.3177.2-58.70000112.7I73 S185 V186 V187 L191 L192 L193 I243 L246 P247I73-T189 HydrophobicContact CD1-CG2 3.2Å; I73-T189 HydrophobicContact CG1-CG2 3.92Å; S185-T189 VanDerWaalsContact O-CB 3.3Å; S185-T189 WeakPolarHBondContact O-CB 3.33Å; S185-T189 PolarHBondContact O-N 2.89Å; S185-T189 VanDerWaalsContact O-N 3.07Å; S185-T189 PolarHBondContact O-OG1 3.43Å; V186-T189 WeakPolarHBondContact O-CB 3.43Å; V186-T189 PolarHBondContact O-N 3.43Å; V187-T189 VanDerWaalsContact C-N 3.3Å; V187-T189 PolarHBondContact O-N 3.13Å; T189-L191 VanDerWaalsContact C-N 3.33Å; T189-L191 PolarHBondContact O-N 3.31Å; T189-L192 WeakPolarHBondContact O-CB 3.39Å; T189-L192 PolarHBondContact O-N 3.47Å; T189-L193 PolarHBondContact O-N 3.28Å; T189-I243 HydrophobicContact CG2-CB 3.93Å; T189-I243 HydrophobicContact CG2-CG1 4.01Å; T189-I243 HydrophobicContact CG2-CG2 3.66Å; T189-L246 WeakPolarHBondContact OG1-CB 3.28Å; T189-P247 HydrophobicContact CG2-CG 4.31Å
190A98.8Very high98.4Very high3 Ų321.8 Ų21.83%0.02512%0.12CC..Hα-helixtrans-63.3-38.7175.500000111.9A159 F162 I163 V186 V187 I188 L193 L194A159-A190 HydrophobicContact CB-CB 4.01Å; A159-A190 WeakPolarHBondContact CB-O 3.39Å; F162-A190 HydrophobicContact CB-CB 4.01Å; I163-A190 HydrophobicContact CD1-CB 4.09Å; I163-A190 HydrophobicContact CG1-CB 3.72Å; V186-A190 WeakPolarHBondContact O-CB 3.27Å; V186-A190 PolarHBondContact O-N 3.13Å; V187-A190 PolarHBondContact O-N 2.91Å; I188-A190 VanDerWaalsContact C-N 3.35Å; I188-A190 PolarHBondContact O-N 2.9Å; A190-L193 PolarHBondContact O-N 2.96Å; A190-L194 WeakPolarHBondContact O-CB 3.5Å; A190-L194 PolarHBondContact O-N 2.91Å
191L98.7Very high98.5Very high76 Ų7622 Ų2240%0.39812%0.124SC..Hα-helixtrans-63.8-41.2173.3-71.4168.1000112I163 V187 I188 T189 L194 L195I163-L191 HydrophobicContact CD1-CD2 3.82Å; I163-L191 HydrophobicContact CD1-CG 4.22Å; I163-L191 HydrophobicContact CG1-CD2 4.34Å; I163-L191 HydrophobicContact CG1-CG 4.43Å; V187-L191 WeakPolarHBondContact O-CG 3.3Å; V187-L191 PolarHBondContact O-N 2.95Å; I188-L191 WeakPolarHBondContact O-CB 3.42Å; I188-L191 PolarHBondContact O-N 3.45Å; T189-L191 VanDerWaalsContact C-N 3.33Å; T189-L191 PolarHBondContact O-N 3.31Å; L191-L194 PolarHBondContact O-N 3.43Å; L191-L195 WeakPolarHBondContact O-CG 3.36Å; L191-L195 PolarHBondContact O-N 3.25Å
192L98.7Very high98.6Very high4 Ų423.1 Ų23.12%0.02114%0.137CC..Hα-helixtrans-58.8-51.7174.2-66.1175.3000110.8I188 T189 L194 L195 S196 P239 I243 L246 G279 F283I188-L192 WeakPolarHBondContact O-CG 3.19Å; I188-L192 PolarHBondContact O-N 3.08Å; T189-L192 WeakPolarHBondContact O-CB 3.39Å; T189-L192 PolarHBondContact O-N 3.47Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L192-L194 PolarHBondContact O-N 2.96Å; L192-L195 PolarHBondContact O-N 3.32Å; L192-S196 VanDerWaalsContact O-CB 3.29Å; L192-S196 WeakPolarHBondContact O-CB 3.5Å; L192-S196 PolarHBondContact O-N 3.44Å; L192-S196 PolarHBondContact O-OG 3.46Å; L192-P239 HydrophobicContact CD2-CB 4.41Å; L192-I243 HydrophobicContact CB-CD1 3.74Å; L192-I243 HydrophobicContact CB-CG1 3.51Å; L192-I243 HydrophobicContact CD1-CG1 3.96Å; L192-I243 HydrophobicContact CG-CG1 4.39Å; L192-L246 HydrophobicContact CD1-CD1 3.67Å; L192-G279 WeakPolarHBondContact CD2-O 3.28Å; L192-F283 HydrophobicContact CD2-CD2 4.22Å; L192-F283 HydrophobicContact CD2-CE2 3.47Å; L192-F283 VanDerWaalsContact CD2-CE2 3.47Å; L192-F283 HydrophobicContact CD2-CZ 3.9Å
193L98.5Very high98.6Very high3 Ų323.1 Ų23.12%0.01614%0.137CC..Hα-helixtrans-56.8-45.9179.5-78.2170.5000112.5M69 I73 A159 T189 A190 L195 L197 I243M69-L193 HydrophobicContact CE-CD2 4.09Å; M69-L193 HydrophobicContact SD-CD2 4.27Å; I73-L193 HydrophobicContact CD1-CD1 3.66Å; A159-L193 HydrophobicContact CB-CB 3.97Å; T189-L193 PolarHBondContact O-N 3.28Å; A190-L193 PolarHBondContact O-N 2.96Å; L193-L195 VanDerWaalsContact C-N 3.27Å; L193-L195 PolarHBondContact O-N 2.9Å; L193-L197 HydrophobicContact CB-CD1 4.29Å; L193-L197 HydrophobicContact CD2-CD1 3.58Å; L193-L197 HydrophobicContact CD2-CG 4.15Å; L193-L197 WeakPolarHBondContact O-CB 3.31Å; L193-L197 PolarHBondContact O-N 3.24Å; L193-I243 HydrophobicContact CB-CD1 4.5Å; L193-I243 HydrophobicContact CD1-CG2 4.27Å; L193-I243 HydrophobicContact CD2-CD1 3.7Å; L193-I243 HydrophobicContact CD2-CG1 4.32Å; L193-I243 HydrophobicContact CD2-CG2 3.79Å; L193-I243 HydrophobicContact CG-CD1 3.82Å; L193-I243 HydrophobicContact CG-CG1 4.09Å; L193-I243 HydrophobicContact CG-CG2 3.9Å
194L98.4Very high98.6Very high60 Ų6023.2 Ų23.231%0.31414%0.137SC..Hα-helixtrans-62.1-35.4-178.3-177.762.9000112.4I156 A159 V160 I163 A190 L191 L192 P198I156-L194 HydrophobicContact CG2-CD1 4.08Å; A159-L194 HydrophobicContact CB-CB 4.42Å; V160-L194 HydrophobicContact CG2-CD1 3.93Å; I163-L194 HydrophobicContact CD1-CB 4.49Å; I163-L194 HydrophobicContact CD1-CD2 3.9Å; A190-L194 WeakPolarHBondContact O-CB 3.5Å; A190-L194 PolarHBondContact O-N 2.91Å; L191-L194 PolarHBondContact O-N 3.43Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L192-L194 PolarHBondContact O-N 2.96Å; L194-P198 WeakPolarHBondContact O-CD 3.37Å; L194-P198 WeakPolarHBondContact O-CG 3.3Å
195L98.4Very high98.6Very high102 Ų10224.3 Ų24.353%0.53415%0.148SC..Hα-helixtrans-92-33.6-175.7-64.7175.8000113.1L191 L192 L193 F283L191-L195 WeakPolarHBondContact O-CG 3.36Å; L191-L195 PolarHBondContact O-N 3.25Å; L192-L195 PolarHBondContact O-N 3.32Å; L193-L195 VanDerWaalsContact C-N 3.27Å; L193-L195 PolarHBondContact O-N 2.9Å; L195-F283 HydrophobicContact CB-CE1 4.16Å; L195-F283 HydrophobicContact CB-CE2 4.42Å; L195-F283 HydrophobicContact CB-CZ 3.65Å; L195-F283 HydrophobicContact CD1-CE2 4.22Å; L195-F283 HydrophobicContact CD1-CZ 4.26Å
196S98.5Very high98.6Very high0 Ų026.2 Ų26.20%016%0.158CC..Hα-helixtrans-87.6-41.2-173.571.40000113.4L192 V199 L200L192-S196 VanDerWaalsContact O-CB 3.29Å; L192-S196 WeakPolarHBondContact O-CB 3.5Å; L192-S196 PolarHBondContact O-N 3.44Å; L192-S196 PolarHBondContact O-OG 3.46Å; S196-V199 WeakPolarHBondContact O-CB 3.31Å; S196-V199 PolarHBondContact O-N 2.85Å; S196-L200 PolarHBondContact O-N 3.39Å
197L98.2Very high98.6Very high4 Ų426.2 Ų26.22%0.02116%0.158CC..Hα-helixtrans-62.7-35.3-175.2-76.2172.6000114.8S155 I156 L193 V199 L200 A201 F236S155-L197 VanDerWaalsContact CB-CD1 3.45Å; I156-L197 HydrophobicContact CD1-CB 3.97Å; I156-L197 HydrophobicContact CG1-CB 3.98Å; I156-L197 HydrophobicContact CG1-CD1 3.94Å; L193-L197 HydrophobicContact CB-CD1 4.29Å; L193-L197 HydrophobicContact CD2-CD1 3.58Å; L193-L197 HydrophobicContact CD2-CG 4.15Å; L193-L197 WeakPolarHBondContact O-CB 3.31Å; L193-L197 PolarHBondContact O-N 3.24Å; L197-V199 PolarHBondContact O-N 2.61Å; L197-L200 HydrophobicContact CD2-CD2 4.35Å; L197-L200 PolarHBondContact O-N 2.91Å; L197-A201 PolarHBondContact O-N 3.02Å; L197-F236 HydrophobicContact CD2-CD2 3.97Å; L197-F236 HydrophobicContact CD2-CE2 3.43Å; L197-F236 VanDerWaalsContact CD2-CE2 3.43Å; L197-F236 HydrophobicContact CD2-CZ 4.18Å; L197-F236 HydrophobicContact CG-CE2 4.22Å
198P98.7Very high98.6Very high67 Ų6726.9 Ų26.944%0.43516%0.161SC..Hα-helixtrans-58.5-30.8173.2-27.236.7000113.5I156 L194 A201 G202I156-P198 HydrophobicContact CD1-CG 4.3Å; L194-P198 WeakPolarHBondContact O-CD 3.37Å; L194-P198 WeakPolarHBondContact O-CG 3.3Å; P198-A201 PolarHBondContact O-N 3.19Å; P198-G202 PolarHBondContact O-N 2.86Å
199V98.7Very high98.6Very high39 Ų3927.8 Ų27.824%0.23617%0.167CC..Hα-helixtrans-71.7-42.4177.6-175.60000110.9S196 L197 G202 A203 L232 F235S196-V199 WeakPolarHBondContact O-CB 3.31Å; S196-V199 PolarHBondContact O-N 2.85Å; L197-V199 PolarHBondContact O-N 2.61Å; V199-G202 PolarHBondContact O-N 3.18Å; V199-A203 PolarHBondContact O-N 3.49Å; V199-L232 HydrophobicContact CG1-CB 4.37Å; V199-L232 HydrophobicContact CG1-CD2 4.05Å; V199-F235 HydrophobicContact CB-CD1 3.89Å; V199-F235 HydrophobicContact CB-CE1 4.4Å; V199-F235 HydrophobicContact CG1-CB 4.27Å; V199-F235 HydrophobicContact CG1-CD1 3.78Å; V199-F235 HydrophobicContact CG1-CG 4.31Å; V199-F235 HydrophobicContact CG2-CD1 3.67Å; V199-F235 HydrophobicContact CG2-CE1 3.69Å
200L98.5Very high98.6Very high7 Ų729.1 Ų29.14%0.03717%0.174CC..Hα-helixtrans-58.2-50.3171.1177.665.8000110.6S196 L197 G202 A203 I204 F233 F236S196-L200 PolarHBondContact O-N 3.39Å; L197-L200 HydrophobicContact CD2-CD2 4.35Å; L197-L200 PolarHBondContact O-N 2.91Å; L200-G202 VanDerWaalsContact C-N 3.25Å; L200-G202 PolarHBondContact O-N 3.23Å; L200-A203 WeakPolarHBondContact O-CB 3.35Å; L200-A203 PolarHBondContact O-N 2.96Å; L200-I204 HydrophobicContact CD1-CG2 4.01Å; L200-I204 WeakPolarHBondContact O-CG1 3.36Å; L200-I204 PolarHBondContact O-N 3.33Å; L200-F233 HydrophobicContact CD1-CD2 3.96Å; L200-F233 HydrophobicContact CD1-CE2 4.28Å; L200-F236 HydrophobicContact CB-CB 3.87Å; L200-F236 HydrophobicContact CB-CD1 3.86Å; L200-F236 HydrophobicContact CB-CD2 4.03Å; L200-F236 HydrophobicContact CB-CE1 4.5Å; L200-F236 HydrophobicContact CB-CG 3.61Å; L200-F236 HydrophobicContact CD1-CD1 3.83Å; L200-F236 HydrophobicContact CD1-CE1 4.25Å; L200-F236 HydrophobicContact CD1-CG 4.44Å; L200-F236 HydrophobicContact CD2-CD1 3.84Å; L200-F236 HydrophobicContact CD2-CD2 4.4Å; L200-F236 HydrophobicContact CD2-CE1 3.64Å; L200-F236 HydrophobicContact CD2-CE2 4.23Å; L200-F236 HydrophobicContact CD2-CG 4.23Å; L200-F236 HydrophobicContact CD2-CZ 3.85Å; L200-F236 HydrophobicContact CG-CD1 4.04Å; L200-F236 HydrophobicContact CG-CE1 4.34Å; L200-F236 HydrophobicContact CG-CG 4.3Å
201A98.7Very high98.5Very high31 Ų3130.6 Ų30.626%0.25618%0.179SC..Hα-helixtrans-55.5-42179.800000111.5L197 P198 I204 T205L197-A201 PolarHBondContact O-N 3.02Å; P198-A201 PolarHBondContact O-N 3.19Å; A201-I204 WeakPolarHBondContact O-CG1 3.2Å; A201-T205 WeakPolarHBondContact O-CB 3.26Å; A201-T205 PolarHBondContact O-N 3.49Å; A201-T205 PolarHBondContact O-OG1 2.99Å
202G98.8Very high98.4Very high31 Ų3131.1 Ų31.132%0.3218%0.182SC..Hα-helixtrans-59.5-48.4172.400000112.9P198 V199 L200 T205 M206P198-G202 PolarHBondContact O-N 2.86Å; V199-G202 PolarHBondContact O-N 3.18Å; L200-G202 VanDerWaalsContact C-N 3.25Å; L200-G202 PolarHBondContact O-N 3.23Å; G202-T205 PolarHBondContact O-N 3.49Å; G202-M206 WeakPolarHBondContact O-CE 3.31Å; G202-M206 WeakPolarHBondContact O-CG 3.12Å; G202-M206 PolarHBondContact O-N 3.39Å
203A98.8Very high98.4Very high0 Ų036.8 Ų36.80%021%0.211CC..Hα-helixtrans-60.1-49.4179.900000112.7V199 L200 T205 M206 L207 Y229 L232V199-A203 PolarHBondContact O-N 3.49Å; L200-A203 WeakPolarHBondContact O-CB 3.35Å; L200-A203 PolarHBondContact O-N 2.96Å; A203-T205 VanDerWaalsContact C-N 3.34Å; A203-M206 PolarHBondContact O-N 2.88Å; A203-L207 PolarHBondContact O-N 3.2Å; A203-Y229 HydrophobicContact CB-CE2 4.34Å; A203-L232 HydrophobicContact CB-CB 3.71Å; A203-L232 HydrophobicContact CB-CD1 4.17Å
204I98.6Very high98.2Very high2 Ų244 Ų441%0.0125%0.25CS..Hα-helixtrans-73.8-26.1-179.364.4176.2000112.3I145 L148 H149 L200 A201 L208I145-I204 HydrophobicContact CG1-CB 4.33Å; I145-I204 HydrophobicContact CG2-CB 4.04Å; I145-I204 HydrophobicContact CG2-CD1 4.26Å; I145-I204 HydrophobicContact CG2-CG1 4.22Å; L148-I204 HydrophobicContact CB-CD1 3.79Å; H149-I204 VanDerWaalsContact CE1-CD1 3.47Å; H149-I204 WeakPolarHBondContact CE1-CD1 3.36Å; H149-I204 WeakPolarHBondContact CE1-CG1 3.06Å; H149-I204 WeakPolarHBondContact ND1-CD1 3.24Å; L200-I204 HydrophobicContact CD1-CG2 4.01Å; L200-I204 WeakPolarHBondContact O-CG1 3.36Å; L200-I204 PolarHBondContact O-N 3.33Å; A201-I204 WeakPolarHBondContact O-CG1 3.2Å; I204-L208 WeakPolarHBondContact O-CB 3.45Å; I204-L208 PolarHBondContact O-N 3.01Å
205T98.7Very high98.1Very high61 Ų6143.5 Ų43.537%0.37425%0.249SC..Hα-helixtrans-67.1-47.9170.1-63.30000110.8H149 A201 G202 A203 L207 L208 T209H149-T205 PolarHBondContact NE2-OG1 3.01Å; A201-T205 WeakPolarHBondContact O-CB 3.26Å; A201-T205 PolarHBondContact O-N 3.49Å; A201-T205 PolarHBondContact O-OG1 2.99Å; G202-T205 PolarHBondContact O-N 3.49Å; A203-T205 VanDerWaalsContact C-N 3.34Å; T205-L207 PolarHBondContact O-N 2.75Å; T205-L208 WeakPolarHBondContact O-CB 3.49Å; T205-L208 PolarHBondContact O-N 3.07Å; T205-L208 VanDerWaalsContact O-N 3.09Å; T205-T209 HydrophobicContact CG2-CG2 4.48Å; T205-T209 WeakPolarHBondContact O-CG2 3.23Å; T205-T209 PolarHBondContact O-N 2.93Å; T205-T209 PolarHBondContact O-OG1 2.85Å
206M98.7Very high98.1Very high39 Ų3940.8 Ų40.819%0.19224%0.239CC..Hα-helixtrans-58.3-38.9175.6-75.2-176-75.600111.6G202 A203 T209 D210 F217 F218 L232G202-M206 WeakPolarHBondContact O-CE 3.31Å; G202-M206 WeakPolarHBondContact O-CG 3.12Å; G202-M206 PolarHBondContact O-N 3.39Å; A203-M206 PolarHBondContact O-N 2.88Å; M206-T209 PolarHBondContact O-N 2.71Å; M206-T209 PolarHBondContact O-OG1 3.24Å; M206-D210 WeakPolarHBondContact O-CB 3.02Å; M206-D210 PolarHBondContact O-N 3.27Å; M206-F217 HydrophobicContact CB-CB 4.07Å; M206-F217 HydrophobicContact CB-CD2 3.64Å; M206-F217 HydrophobicContact CB-CE2 4.2Å; M206-F217 HydrophobicContact CB-CG 3.84Å; M206-F217 HydrophobicContact CG-CB 4.44Å; M206-F217 HydrophobicContact CG-CD1 4.02Å; M206-F217 HydrophobicContact CG-CD2 3.67Å; M206-F217 HydrophobicContact CG-CE1 4.15Å; M206-F217 HydrophobicContact CG-CE2 3.81Å; M206-F217 HydrophobicContact CG-CG 3.79Å; M206-F217 HydrophobicContact CG-CZ 4.05Å; M206-F217 HydrophobicContact SD-CB 4.28Å; M206-F217 HydrophobicContact SD-CD1 3.53Å; M206-F217 VanDerWaalsContact SD-CD1 3.53Å; M206-F217 HydrophobicContact SD-CD2 4.28Å; M206-F217 HydrophobicContact SD-CE1 3.83Å; M206-F217 HydrophobicContact SD-CG 3.78Å; M206-F217 HydrophobicContact SD-CZ 4.33Å; M206-F218 HydrophobicContact CB-CE2 3.59Å; M206-F218 HydrophobicContact CB-CZ 3.7Å; M206-F218 HydrophobicContact CE-CZ 4.18Å; M206-F218 HydrophobicContact SD-CZ 4.44Å; M206-L232 HydrophobicContact CE-CD1 3.26Å
207L98.6Very high98.1Very high1 Ų145 Ų451%0.00526%0.257CS..Hα-helixtrans-66.6-42.1175.5177.763000111.4V126 P128 S131 I145 A203 T205 T209 D210 R211 F218 Y229V126-L207 HydrophobicContact CG1-CD2 3.73Å; P128-L207 HydrophobicContact CB-CD1 4.26Å; S131-L207 WeakPolarHBondContact OG-CD2 3.42Å; I145-L207 HydrophobicContact CD1-CB 4.49Å; I145-L207 HydrophobicContact CD1-CD2 4Å; I145-L207 HydrophobicContact CD1-CG 4.11Å; A203-L207 PolarHBondContact O-N 3.2Å; T205-L207 PolarHBondContact O-N 2.75Å; L207-T209 VanDerWaalsContact C-N 3.3Å; L207-T209 PolarHBondContact O-N 3.1Å; L207-D210 PolarHBondContact O-N 2.78Å; L207-R211 HydrophobicContact CD1-CG 4.36Å; L207-R211 VanDerWaalsContact O-CG 3.23Å; L207-R211 WeakPolarHBondContact O-CG 3.38Å; L207-R211 PolarHBondContact O-N 3.37Å; L207-F218 HydrophobicContact CB-CD2 4.31Å; L207-F218 HydrophobicContact CB-CE2 4.02Å; L207-F218 HydrophobicContact CD1-CD2 4.42Å; L207-Y229 HydrophobicContact CB-CE2 4.07Å; L207-Y229 HydrophobicContact CD2-CE2 3.9Å
208L98.4Very high98.1Very high28 Ų2845 Ų4515%0.14726%0.258CS..Hα-helixtrans-61-40.7176.9-172.969.3000111.3D142 I145 F146 I204 T205 R211 N212D142-L208 HydrophobicContact CB-CD1 3.95Å; D142-L208 WeakPolarHBondContact OD1-CD1 3.34Å; I145-L208 HydrophobicContact CD1-CB 4.23Å; I145-L208 HydrophobicContact CD1-CD1 4.24Å; I145-L208 HydrophobicContact CG2-CB 4.21Å; I145-L208 HydrophobicContact CG2-CD1 4.3Å; I145-L208 HydrophobicContact CG2-CD2 4.36Å; F146-L208 HydrophobicContact CE1-CD2 3.79Å; F146-L208 HydrophobicContact CZ-CD1 4.36Å; F146-L208 HydrophobicContact CZ-CD2 3.88Å; I204-L208 WeakPolarHBondContact O-CB 3.45Å; I204-L208 PolarHBondContact O-N 3.01Å; T205-L208 WeakPolarHBondContact O-CB 3.49Å; T205-L208 PolarHBondContact O-N 3.07Å; T205-L208 VanDerWaalsContact O-N 3.09Å; L208-R211 PolarHBondContact O-N 3.13Å; L208-N212 WeakPolarHBondContact O-CB 3.18Å; L208-N212 PolarHBondContact O-N 3.43Å; L208-N212 PolarHBondContact O-ND2 2.84Å
209T98.3Very high97.9Very high26 Ų2645.1 Ų45.116%0.1625%0.254CS..Hα-helixtrans-73.3-32.5177.561.30000112.4T205 M206 L207 R211 N212 L213 N214 T215T205-T209 HydrophobicContact CG2-CG2 4.48Å; T205-T209 WeakPolarHBondContact O-CG2 3.23Å; T205-T209 PolarHBondContact O-N 2.93Å; T205-T209 PolarHBondContact O-OG1 2.85Å; M206-T209 PolarHBondContact O-N 2.71Å; M206-T209 PolarHBondContact O-OG1 3.24Å; L207-T209 VanDerWaalsContact C-N 3.3Å; L207-T209 PolarHBondContact O-N 3.1Å; T209-R211 VanDerWaalsContact C-N 3.27Å; T209-R211 PolarHBondContact O-N 3.49Å; T209-N212 PolarHBondContact O-N 3.33Å; T209-L213 HydrophobicContact CG2-CD1 3.79Å; T209-L213 HydrophobicContact CG2-CG 4.49Å; T209-L213 CarbonylContact O-C 3.4Å; T209-L213 VanDerWaalsContact O-CA 3.31Å; T209-L213 WeakPolarHBondContact O-CA 3.21Å; T209-L213 WeakPolarHBondContact O-CB 3.49Å; T209-L213 PolarHBondContact O-N 3.1Å; T209-N214 PolarHBondContact O-N 3.13Å; T209-T215 VanDerWaalsContact CB-OG1 3.27Å; T209-T215 WeakPolarHBondContact CB-OG1 3.3Å; T209-T215 PolarHBondContact O-N 3.07Å; T209-T215 PolarHBondContact O-OG1 3.1Å; T209-T215 PolarHBondContact OG1-OG1 2.82Å
210D98.1Very high97.9Very high28 Ų2847.3 Ų47.315%0.1527%0.269CS..Hα-helixtrans-64.5-37.7173-82.212.5000110.6M206 L207 T215 S216 F217 F218M206-D210 WeakPolarHBondContact O-CB 3.02Å; M206-D210 PolarHBondContact O-N 3.27Å; L207-D210 PolarHBondContact O-N 2.78Å; D210-T215 WeakPolarHBondContact CA-O 3.41Å; D210-T215 WeakPolarHBondContact CA-OG1 3.4Å; D210-T215 PolarHBondContact N-OG1 3.01Å; D210-T215 VanDerWaalsContact OD1-CB 3.32Å; D210-T215 WeakPolarHBondContact OD1-CB 3.49Å; D210-T215 VanDerWaalsContact OD1-O 3.1Å; D210-T215 PolarHBondContact OD1-OG1 3.41Å; D210-S216 WeakPolarHBondContact OD1-CA 3.28Å; D210-S216 PolarHBondContact OD1-N 3.46Å; D210-S216 VanDerWaalsContact OD1-N 3.1Å; D210-F217 VanDerWaalsContact CG-N 3.33Å; D210-F217 WeakPolarHBondContact OD1-CD2 3.35Å; D210-F217 PolarHBondContact OD1-N 3.38Å; D210-F217 PolarHBondContact OD2-N 2.82Å; D210-F218 PolarHBondContact OD2-N 2.88Å
211R97.3Very high97.7Very high34 Ų3451.5 Ų51.513%0.12831%0.305CS..Hα-helixtrans-72.9-37.7178.5-69.6169.357.766.815.7113.7S131 H136 G138 D142 L207 L208 T209S131-R211 WeakPolarHBondContact O-CD 3.35Å; S131-R211 PolarHBondContact O-NH1 3.42Å; H136-R211 PolarHBondContact O-NH1 3.41Å; H136-R211 PolarHBondContact O-NH2 3.35Å; G138-R211 PolarHBondContact O-NH2 2.92Å; D142-R211 IonicContact OD1-CZ 3.62Å; D142-R211 IonicContact OD1-NE 2.77Å; D142-R211 PolarHBondContact OD1-NE 3.12Å; D142-R211 IonicContact OD1-NH2 3.53Å; D142-R211 PolarHBondContact OD1-NH2 3.11Å; D142-R211 IonicContact OD2-CZ 3.82Å; D142-R211 IonicContact OD2-NE 3.4Å; D142-R211 IonicContact OD2-NH2 3.61Å; D142-R211 PolarHBondContact OD2-NH2 2.73Å; L207-R211 HydrophobicContact CD1-CG 4.36Å; L207-R211 VanDerWaalsContact O-CG 3.23Å; L207-R211 WeakPolarHBondContact O-CG 3.38Å; L207-R211 PolarHBondContact O-N 3.37Å; L208-R211 PolarHBondContact O-N 3.13Å; T209-R211 VanDerWaalsContact C-N 3.27Å; T209-R211 PolarHBondContact O-N 3.49Å
212N97.6Very high97.6Very high86 Ų8652.1 Ų52.146%0.4632%0.315SS..Hα-helixtrans-120.9-20.2-165-63.1-81.3000115.2D142 L208 T209D142-N212 PolarHBondContact OD1-ND2 2.9Å; L208-N212 WeakPolarHBondContact O-CB 3.18Å; L208-N212 PolarHBondContact O-N 3.43Å; L208-N212 PolarHBondContact O-ND2 2.84Å; T209-N212 PolarHBondContact O-N 3.33Å
213L97.2Very high97.5Very high123 Ų12354.1 Ų54.164%0.64434%0.335SS*.SBendtrans-121.414-174.1-58.6-177.4000113.3T209 T215T209-L213 HydrophobicContact CG2-CD1 3.79Å; T209-L213 HydrophobicContact CG2-CG 4.49Å; T209-L213 CarbonylContact O-C 3.4Å; T209-L213 VanDerWaalsContact O-CA 3.31Å; T209-L213 WeakPolarHBondContact O-CA 3.21Å; T209-L213 WeakPolarHBondContact O-CB 3.49Å; T209-L213 PolarHBondContact O-N 3.1Å; L213-T215 PolarHBondContact O-N 3.36Å
214N94.4Very high97.4Very high156 Ų15654.9 Ų54.983%0.83434%0.343SS*.  trans54.729.6-179.9-56.9-56.3000114.1T209T209-N214 PolarHBondContact O-N 3.13Å
215T97.6Very high97.4Very high48 Ų4858.4 Ų58.429%0.29436%0.362SS..  trans-73.4166.6163.5630000109.5T209 D210 L213 F217T209-T215 VanDerWaalsContact CB-OG1 3.27Å; T209-T215 WeakPolarHBondContact CB-OG1 3.3Å; T209-T215 PolarHBondContact O-N 3.07Å; T209-T215 PolarHBondContact O-OG1 3.1Å; T209-T215 PolarHBondContact OG1-OG1 2.82Å; D210-T215 WeakPolarHBondContact CA-O 3.41Å; D210-T215 WeakPolarHBondContact CA-OG1 3.4Å; D210-T215 PolarHBondContact N-OG1 3.01Å; D210-T215 VanDerWaalsContact OD1-CB 3.32Å; D210-T215 WeakPolarHBondContact OD1-CB 3.49Å; D210-T215 VanDerWaalsContact OD1-O 3.1Å; D210-T215 PolarHBondContact OD1-OG1 3.41Å; L213-T215 PolarHBondContact O-N 3.36Å; T215-F217 HydrophobicContact CG2-CE2 4.06Å; T215-F217 WeakPolarHBondContact OG1-CD2 3.4Å
216S97.3Very high97.3Very high45 Ų4556.8 Ų56.832%0.31535%0.352SS..  trans-138.546.9-17758.30000111.6D210 F218 G222 G224D210-S216 WeakPolarHBondContact OD1-CA 3.28Å; D210-S216 PolarHBondContact OD1-N 3.46Å; D210-S216 VanDerWaalsContact OD1-N 3.1Å; S216-F218 VanDerWaalsContact C-N 3.3Å; S216-F218 PolarHBondContact O-N 3.24Å; S216-G222 PolarHBondContact OG-O 3.05Å; S216-G222 VanDerWaalsContact OG-O 3.07Å; S216-G224 WeakPolarHBondContact O-CA 3.5Å; S216-G224 PolarHBondContact O-N 3.45Å
217F98.3Very high97.3Very high88 Ų8857.2 Ų57.239%0.38636%0.355SS..SBendtrans-63.4-37178-69.7-75.8000112.2M206 D210 T215 G224 D225M206-F217 HydrophobicContact CB-CB 4.07Å; M206-F217 HydrophobicContact CB-CD2 3.64Å; M206-F217 HydrophobicContact CB-CE2 4.2Å; M206-F217 HydrophobicContact CB-CG 3.84Å; M206-F217 HydrophobicContact CG-CB 4.44Å; M206-F217 HydrophobicContact CG-CD1 4.02Å; M206-F217 HydrophobicContact CG-CD2 3.67Å; M206-F217 HydrophobicContact CG-CE1 4.15Å; M206-F217 HydrophobicContact CG-CE2 3.81Å; M206-F217 HydrophobicContact CG-CG 3.79Å; M206-F217 HydrophobicContact CG-CZ 4.05Å; M206-F217 HydrophobicContact SD-CB 4.28Å; M206-F217 HydrophobicContact SD-CD1 3.53Å; M206-F217 VanDerWaalsContact SD-CD1 3.53Å; M206-F217 HydrophobicContact SD-CD2 4.28Å; M206-F217 HydrophobicContact SD-CE1 3.83Å; M206-F217 HydrophobicContact SD-CG 3.78Å; M206-F217 HydrophobicContact SD-CZ 4.33Å; D210-F217 VanDerWaalsContact CG-N 3.33Å; D210-F217 WeakPolarHBondContact OD1-CD2 3.35Å; D210-F217 PolarHBondContact OD1-N 3.38Å; D210-F217 PolarHBondContact OD2-N 2.82Å; T215-F217 HydrophobicContact CG2-CE2 4.06Å; T215-F217 WeakPolarHBondContact OG1-CD2 3.4Å; F217-G224 CarbonylContact O-C 3.56Å; F217-G224 WeakPolarHBondContact O-CA 3.4Å; F217-D225 PolarHBondContact O-N 3.13Å
218F98.2Very high97.2Very high6 Ų660.7 Ų60.73%0.02637%0.373CS..SBendtrans-119.23.8-175.2-48.9-55.5000113.5P128 M206 L207 D210 S216 P220 D225 P226 L228 Y229 L232P128-F218 HydrophobicContact CB-CB 4.01Å; P128-F218 HydrophobicContact CG-CB 3.63Å; P128-F218 HydrophobicContact CG-CD2 4.16Å; P128-F218 HydrophobicContact CG-CG 3.9Å; M206-F218 HydrophobicContact CB-CE2 3.59Å; M206-F218 HydrophobicContact CB-CZ 3.7Å; M206-F218 HydrophobicContact CE-CZ 4.18Å; M206-F218 HydrophobicContact SD-CZ 4.44Å; L207-F218 HydrophobicContact CB-CD2 4.31Å; L207-F218 HydrophobicContact CB-CE2 4.02Å; L207-F218 HydrophobicContact CD1-CD2 4.42Å; D210-F218 PolarHBondContact OD2-N 2.88Å; S216-F218 VanDerWaalsContact C-N 3.3Å; S216-F218 PolarHBondContact O-N 3.24Å; F218-P220 WeakPolarHBondContact O-CD 3.48Å; F218-D225 WeakPolarHBondContact CD1-O 3.22Å; F218-P226 VanDerWaalsContact O-CD 3.3Å; F218-P226 WeakPolarHBondContact O-CD 3.43Å; F218-P226 VanDerWaalsContact O-CG 3.29Å; F218-P226 WeakPolarHBondContact O-CG 3.33Å; F218-L228 HydrophobicContact CD1-CB 4.4Å; F218-L228 HydrophobicContact CE1-CB 4.28Å; F218-L228 HydrophobicContact CE1-CD2 4.24Å; F218-L228 HydrophobicContact CE1-CG 4.13Å; F218-Y229 HydrophobicContact CD2-CD2 4Å; F218-Y229 HydrophobicContact CE1-CD2 4.17Å; F218-Y229 HydrophobicContact CE1-CG 4.41Å; F218-Y229 AromaticContact CE2-CD2 3.57Å; F218-Y229 HydrophobicContact CE2-CD2 3.57Å; F218-Y229 HydrophobicContact CE2-CE2 4.38Å; F218-Y229 HydrophobicContact CE2-CG 4.49Å; F218-Y229 HydrophobicContact CG-CD2 4.46Å; F218-Y229 AromaticContact CZ-CD2 3.66Å; F218-Y229 HydrophobicContact CZ-CD2 3.66Å; F218-Y229 HydrophobicContact CZ-CG 4.32Å; F218-L232 HydrophobicContact CE1-CD1 4.36Å; F218-L232 HydrophobicContact CZ-CD1 4.36Å
219D96.4Very high97.3Very high69 Ų6959.3 Ų59.337%0.36937%0.366SS..  trans-99.1111.5175.8-176.70.6000111.1A221 G222 G223 G224D219-A221 PolarHBondContact O-N 2.89Å; D219-A221 VanDerWaalsContact O-N 3.15Å; D219-A221 WeakPolarHBondContact OD1-CB 3.31Å; D219-A221 PolarHBondContact OD1-N 3.41Å; D219-G222 PolarHBondContact O-N 2.98Å; D219-G223 PolarHBondContact O-N 3Å; D219-G224 WeakPolarHBondContact O-CA 3.27Å; D219-G224 PolarHBondContact O-N 3.43Å
220P96.6Very high97.3Very high85 Ų8559.6 Ų59.655%0.55237%0.365SS*.G310 helixtrans-56.7-27.2176.4-26.136.2000114.5F218 G222 G223 G224 P226F218-P220 WeakPolarHBondContact O-CD 3.48Å; P220-G222 PolarHBondContact O-N 3.15Å; P220-G223 PolarHBondContact O-N 2.85Å; P220-G224 WeakPolarHBondContact CA-O 3.38Å; P220-P226 HydrophobicContact CG-CG 4.22Å
221A95.4Very high97.3Very high94 Ų9461.4 Ų61.478%0.77737%0.373SS*.G310 helixtrans-64.8-28.2177.700000112.5D219D219-A221 PolarHBondContact O-N 2.89Å; D219-A221 VanDerWaalsContact O-N 3.15Å; D219-A221 WeakPolarHBondContact OD1-CB 3.31Å; D219-A221 PolarHBondContact OD1-N 3.41Å
222G96.1Very high97.4Very high45 Ų4561.6 Ų61.646%0.46438%0.376SS..G310 helixtrans-100.711.5172.300000114.2S216 D219 P220S216-G222 PolarHBondContact OG-O 3.05Å; S216-G222 VanDerWaalsContact OG-O 3.07Å; D219-G222 PolarHBondContact O-N 2.98Å; P220-G222 PolarHBondContact O-N 3.15Å
223G96.7Very high97.4Very high72 Ų7257.8 Ų57.874%0.74236%0.355SS*.THydrogen-bonded Turntrans85.310.1-17900000115.6D219 P220D219-G223 PolarHBondContact O-N 3Å; P220-G223 PolarHBondContact O-N 2.85Å
224G97.6Very high97.5Very high16 Ų1652.5 Ų52.517%0.16533%0.327CS..  trans-79.1176.3173.500000113.9S216 F217 D219 P220S216-G224 WeakPolarHBondContact O-CA 3.5Å; S216-G224 PolarHBondContact O-N 3.45Å; F217-G224 CarbonylContact O-C 3.56Å; F217-G224 WeakPolarHBondContact O-CA 3.4Å; D219-G224 WeakPolarHBondContact O-CA 3.27Å; D219-G224 PolarHBondContact O-N 3.43Å; P220-G224 WeakPolarHBondContact CA-O 3.38Å
225D97.5Very high97.7Very high77 Ų7747.9 Ų47.941%0.41230%0.299SS..  trans-140.2114.3-179.7-178.96.3000111.9F217 F218 I227 L228F217-D225 PolarHBondContact O-N 3.13Å; F218-D225 WeakPolarHBondContact CD1-O 3.22Å; D225-I227 PolarHBondContact O-N 3.31Å; D225-I227 WeakPolarHBondContact OD1-CB 3.34Å; D225-I227 PolarHBondContact OD1-N 2.82Å; D225-L228 HydrophobicContact CB-CB 4.26Å; D225-L228 VanDerWaalsContact O-CB 3.22Å; D225-L228 WeakPolarHBondContact O-CB 3.46Å; D225-L228 PolarHBondContact O-N 2.83Å
226P97.2Very high97.7Very high27 Ų2745.6 Ų45.618%0.17529%0.285CS..Hα-helixtrans-56.4-28173.1-23.431.2000114.5F218 P220 L228 Y229F218-P226 VanDerWaalsContact O-CD 3.3Å; F218-P226 WeakPolarHBondContact O-CD 3.43Å; F218-P226 VanDerWaalsContact O-CG 3.29Å; F218-P226 WeakPolarHBondContact O-CG 3.33Å; P220-P226 HydrophobicContact CG-CG 4.22Å; P226-L228 VanDerWaalsContact C-N 3.3Å; P226-L228 PolarHBondContact O-N 3.41Å; P226-Y229 WeakPolarHBondContact O-CB 3.4Å; P226-Y229 PolarHBondContact O-N 3.4Å
227I97.9Very high97.8Very high48 Ų4843.5 Ų43.525%0.24627%0.271CS..Hα-helixtrans-71-27.9178.1-57.2-52.9000111.4D225 Y229 Q230 H231 M290 V293D225-I227 PolarHBondContact O-N 3.31Å; D225-I227 WeakPolarHBondContact OD1-CB 3.34Å; D225-I227 PolarHBondContact OD1-N 2.82Å; I227-Y229 VanDerWaalsContact C-N 3.26Å; I227-Y229 PolarHBondContact O-N 3.12Å; I227-Q230 WeakPolarHBondContact O-CB 3.37Å; I227-Q230 PolarHBondContact O-N 2.95Å; I227-Q230 VanDerWaalsContact O-N 3.1Å; I227-H231 PolarHBondContact O-N 3.08Å; I227-M290 HydrophobicContact CG2-CE 3.76Å; I227-V293 HydrophobicContact CD1-CB 3.85Å; I227-V293 HydrophobicContact CD1-CG1 4.02Å; I227-V293 HydrophobicContact CG2-CG2 4.11Å
228L98.2Very high97.8Very high73 Ų7339.6 Ų39.638%0.38225%0.254SS..Hα-helixtrans-57.7-41.9170.3178.462.3000111F218 D225 P226 Q230 H231 L232F218-L228 HydrophobicContact CD1-CB 4.4Å; F218-L228 HydrophobicContact CE1-CB 4.28Å; F218-L228 HydrophobicContact CE1-CD2 4.24Å; F218-L228 HydrophobicContact CE1-CG 4.13Å; D225-L228 HydrophobicContact CB-CB 4.26Å; D225-L228 VanDerWaalsContact O-CB 3.22Å; D225-L228 WeakPolarHBondContact O-CB 3.46Å; D225-L228 PolarHBondContact O-N 2.83Å; P226-L228 VanDerWaalsContact C-N 3.3Å; P226-L228 PolarHBondContact O-N 3.41Å; L228-Q230 VanDerWaalsContact C-N 3.3Å; L228-Q230 PolarHBondContact O-N 2.99Å; L228-H231 PolarHBondContact O-N 3.29Å; L228-L232 HydrophobicContact CD1-CD1 4.32Å; L228-L232 HydrophobicContact CD1-CG 4.34Å; L228-L232 HydrophobicContact CG-CD1 4.09Å; L228-L232 WeakPolarHBondContact O-CG 3.49Å; L228-L232 PolarHBondContact O-N 3.41Å; L228-L232 VanDerWaalsContact O-N 3.08Å
229Y98.7Very high97.8Very high0 Ų039.3 Ų39.30%025%0.253CS..Hα-helixtrans-57.8-45.5175.8-175-79.2000110.8T125 V126 Y127 P128 A203 L207 F218 P226 I227 H231 L232 F233T125-Y229 WeakPolarHBondContact O-CE1 3.47Å; T125-Y229 PolarHBondContact O-OH 3.46Å; V126-Y229 PolarHBondContact O-OH 3.46Å; Y127-Y229 AromaticContact CD1-CD1 3.67Å; Y127-Y229 HydrophobicContact CD1-CD1 3.67Å; Y127-Y229 AromaticContact CD1-CE1 3.74Å; Y127-Y229 HydrophobicContact CD1-CE1 3.74Å; Y127-Y229 HydrophobicContact CE1-CD1 4.27Å; Y127-Y229 HydrophobicContact CE1-CE1 4.29Å; P128-Y229 HydrophobicContact CG-CD2 4.03Å; P128-Y229 HydrophobicContact CG-CG 3.83Å; A203-Y229 HydrophobicContact CB-CE2 4.34Å; L207-Y229 HydrophobicContact CB-CE2 4.07Å; L207-Y229 HydrophobicContact CD2-CE2 3.9Å; F218-Y229 HydrophobicContact CD2-CD2 4Å; F218-Y229 HydrophobicContact CE1-CD2 4.17Å; F218-Y229 HydrophobicContact CE1-CG 4.41Å; F218-Y229 AromaticContact CE2-CD2 3.57Å; F218-Y229 HydrophobicContact CE2-CD2 3.57Å; F218-Y229 HydrophobicContact CE2-CE2 4.38Å; F218-Y229 HydrophobicContact CE2-CG 4.49Å; F218-Y229 HydrophobicContact CG-CD2 4.46Å; F218-Y229 AromaticContact CZ-CD2 3.66Å; F218-Y229 HydrophobicContact CZ-CD2 3.66Å; F218-Y229 HydrophobicContact CZ-CG 4.32Å; P226-Y229 WeakPolarHBondContact O-CB 3.4Å; P226-Y229 PolarHBondContact O-N 3.4Å; I227-Y229 VanDerWaalsContact C-N 3.26Å; I227-Y229 PolarHBondContact O-N 3.12Å; Y229-H231 VanDerWaalsContact C-N 3.35Å; Y229-H231 PolarHBondContact O-N 3.23Å; Y229-L232 PolarHBondContact O-N 3.37Å; Y229-F233 HydrophobicContact CD1-CB 4.14Å; Y229-F233 HydrophobicContact CE1-CB 3.81Å; Y229-F233 HydrophobicContact CE1-CD2 4.21Å; Y229-F233 HydrophobicContact CE1-CG 4.21Å; Y229-F233 VanDerWaalsContact O-CB 3.27Å; Y229-F233 WeakPolarHBondContact O-CB 3.47Å; Y229-F233 PolarHBondContact O-N 3.49Å
230Q98.4Very high97.9Very high32 Ų3236.2 Ų36.215%0.1524%0.236CC..Hα-helixtrans-62.2-41.3-179.9-64.2-166.236.400112.2Y127 I227 L228 W234 M290Y127-Q230 HydrophobicContact CD1-CG 4.06Å; Y127-Q230 HydrophobicContact CE1-CB 4.5Å; Y127-Q230 HydrophobicContact CE1-CG 3.85Å; I227-Q230 WeakPolarHBondContact O-CB 3.37Å; I227-Q230 PolarHBondContact O-N 2.95Å; I227-Q230 VanDerWaalsContact O-N 3.1Å; L228-Q230 VanDerWaalsContact C-N 3.3Å; L228-Q230 PolarHBondContact O-N 2.99Å; Q230-W234 WeakPolarHBondContact O-CB 3.44Å; Q230-W234 VanDerWaalsContact O-CD1 3.23Å; Q230-W234 PolarHBondContact O-N 2.87Å; Q230-M290 HydrophobicContact CB-CE 3.5Å; Q230-M290 VanDerWaalsContact CB-CE 3.5Å; Q230-M290 HydrophobicContact CB-CG 4.25Å; Q230-M290 HydrophobicContact CB-SD 3.89Å
231H98.5Very high97.9Very high65 Ų6533.3 Ų33.330%0.30122%0.217SC..Hα-helixtrans-61-46.9175.5-79.8-57.1000112.1I227 L228 Y229 F235 W286 M290I227-H231 PolarHBondContact O-N 3.08Å; L228-H231 PolarHBondContact O-N 3.29Å; Y229-H231 VanDerWaalsContact C-N 3.35Å; Y229-H231 PolarHBondContact O-N 3.23Å; H231-F235 VanDerWaalsContact O-CB 3.29Å; H231-F235 WeakPolarHBondContact O-CB 3.17Å; H231-F235 PolarHBondContact O-N 3.21Å; H231-W286 AromaticContact ND1-CD1 3.91Å; H231-W286 AromaticContact ND1-NE1 3.24Å; H231-W286 PolarHBondContact ND1-NE1 2.84Å; H231-M290 HydrophobicContact CB-CE 4.49Å; H231-M290 VanDerWaalsContact CE1-CE 3.45Å; H231-M290 WeakPolarHBondContact CE1-CE 3.48Å; H231-M290 WeakPolarHBondContact ND1-CE 3.5Å
232L98.6Very high98Very high39 Ų3930.2 Ų30.220%0.20419%0.185CC..Hα-helixtrans-66.3-44.4179.9-63.9167.2000111.8V199 A203 M206 F218 L228 Y229 F236V199-L232 HydrophobicContact CG1-CB 4.37Å; V199-L232 HydrophobicContact CG1-CD2 4.05Å; A203-L232 HydrophobicContact CB-CB 3.71Å; A203-L232 HydrophobicContact CB-CD1 4.17Å; M206-L232 HydrophobicContact CE-CD1 3.26Å; F218-L232 HydrophobicContact CE1-CD1 4.36Å; F218-L232 HydrophobicContact CZ-CD1 4.36Å; L228-L232 HydrophobicContact CD1-CD1 4.32Å; L228-L232 HydrophobicContact CD1-CG 4.34Å; L228-L232 HydrophobicContact CG-CD1 4.09Å; L228-L232 WeakPolarHBondContact O-CG 3.49Å; L228-L232 PolarHBondContact O-N 3.41Å; L228-L232 VanDerWaalsContact O-N 3.08Å; Y229-L232 PolarHBondContact O-N 3.37Å; L232-F236 PolarHBondContact O-N 3.14Å
233F98.7Very high98.1Very high5 Ų528.1 Ų28.12%0.02216%0.163CC..Hα-helixtrans-60.2-50177.8177.6-91.3000111W124 T125 Y127 L200 Y229 F236 G237W124-F233 HydrophobicContact CD2-CZ 4.5Å; W124-F233 AromaticContact CE3-CZ 3.73Å; W124-F233 HydrophobicContact CE3-CZ 3.73Å; W124-F233 HydrophobicContact CH2-CE1 4.15Å; W124-F233 AromaticContact CH2-CZ 3.96Å; W124-F233 HydrophobicContact CH2-CZ 3.96Å; W124-F233 HydrophobicContact CZ3-CE1 4.09Å; W124-F233 HydrophobicContact CZ3-CE2 4.45Å; W124-F233 AromaticContact CZ3-CZ 3.44Å; W124-F233 HydrophobicContact CZ3-CZ 3.44Å; W124-F233 VanDerWaalsContact CZ3-CZ 3.44Å; T125-F233 HydrophobicContact CG2-CD1 4.43Å; T125-F233 HydrophobicContact CG2-CE1 3.6Å; T125-F233 HydrophobicContact CG2-CZ 3.76Å; Y127-F233 HydrophobicContact CE1-CD1 4.16Å; Y127-F233 HydrophobicContact CE1-CG 4.41Å; L200-F233 HydrophobicContact CD1-CD2 3.96Å; L200-F233 HydrophobicContact CD1-CE2 4.28Å; Y229-F233 HydrophobicContact CD1-CB 4.14Å; Y229-F233 HydrophobicContact CE1-CB 3.81Å; Y229-F233 HydrophobicContact CE1-CD2 4.21Å; Y229-F233 HydrophobicContact CE1-CG 4.21Å; Y229-F233 VanDerWaalsContact O-CB 3.27Å; Y229-F233 WeakPolarHBondContact O-CB 3.47Å; Y229-F233 PolarHBondContact O-N 3.49Å; F233-F236 CarbonylContact O-C 3.6Å; F233-F236 WeakPolarHBondContact O-CB 3.43Å; F233-F236 PolarHBondContact O-N 3.5Å; F233-G237 PolarHBondContact O-N 3.28Å
234W98.7Very high98.2Very high13 Ų1324.8 Ų24.85%0.04913%0.128CC..Hα-helixtrans-76.6-24.7-176.9-72.3124.2000114W124 T125 Y127 Q230 F236 G237 H238 W286 H289W124-W234 AromaticContact CH2-CH2 3.88Å; W124-W234 HydrophobicContact CH2-CH2 3.88Å; W124-W234 AromaticContact CH2-CZ3 3.83Å; W124-W234 HydrophobicContact CH2-CZ3 3.83Å; W124-W234 AromaticContact CZ2-CH2 3.77Å; W124-W234 HydrophobicContact CZ2-CH2 3.77Å; W124-W234 HydrophobicContact CZ2-CZ3 4.18Å; T125-W234 HydrophobicContact CG2-CH2 4.24Å; T125-W234 HydrophobicContact CG2-CZ2 4.02Å; Y127-W234 AromaticContact CZ-NE1 3.85Å; Y127-W234 WeakPolarHBondContact OH-CZ2 3.21Å; Y127-W234 PolarHBondContact OH-NE1 2.97Å; Q230-W234 WeakPolarHBondContact O-CB 3.44Å; Q230-W234 VanDerWaalsContact O-CD1 3.23Å; Q230-W234 PolarHBondContact O-N 2.87Å; W234-F236 PolarHBondContact O-N 3.37Å; W234-G237 PolarHBondContact O-N 2.97Å; W234-H238 PolarHBondContact O-N 3.46Å; W234-W286 VanDerWaalsContact C-CB 3.41Å; W234-W286 HydrophobicContact CB-CB 3.97Å; W234-W286 WeakPolarHBondContact O-CB 3.21Å; W234-H289 HydrophobicContact CB-CB 4.43Å; W234-H289 HydrophobicContact CD2-CB 3.38Å; W234-H289 AromaticContact CD2-CD2 3.54Å; W234-H289 AromaticContact CD2-CG 3.54Å; W234-H289 AromaticContact CE2-CG 3.8Å; W234-H289 HydrophobicContact CE3-CB 3.94Å; W234-H289 AromaticContact CE3-CD2 3.24Å; W234-H289 AromaticContact CE3-CG 3.53Å; W234-H289 AromaticContact CE3-NE2 3.65Å; W234-H289 HydrophobicContact CG-CB 3.61Å; W234-H289 AromaticContact CG-CD2 3.99Å; W234-H289 HydrophobicContact CH2-CB 4.36Å; W234-H289 HydrophobicContact CZ2-CB 3.85Å; W234-H289 HydrophobicContact CZ3-CB 4.39Å; W234-H289 AromaticContact CZ3-CD2 3.78Å; W234-H289 AromaticContact CZ3-CE1 3.9Å; W234-H289 AromaticContact CZ3-CG 3.82Å; W234-H289 AromaticContact CZ3-ND1 3.91Å; W234-H289 AromaticContact CZ3-NE2 3.8Å
235F98.6Very high98.2Very high58 Ų5824.2 Ų24.225%0.25412%0.121SC..Hα-helixtrans-56.8-36.6168-176.8-84.2000110.9V199 H231 P239 F283 W286V199-F235 HydrophobicContact CB-CD1 3.89Å; V199-F235 HydrophobicContact CB-CE1 4.4Å; V199-F235 HydrophobicContact CG1-CB 4.27Å; V199-F235 HydrophobicContact CG1-CD1 3.78Å; V199-F235 HydrophobicContact CG1-CG 4.31Å; V199-F235 HydrophobicContact CG2-CD1 3.67Å; V199-F235 HydrophobicContact CG2-CE1 3.69Å; H231-F235 VanDerWaalsContact O-CB 3.29Å; H231-F235 WeakPolarHBondContact O-CB 3.17Å; H231-F235 PolarHBondContact O-N 3.21Å; F235-P239 WeakPolarHBondContact O-CD 3.49Å; F235-P239 WeakPolarHBondContact O-CG 3.48Å; F235-F283 AromaticContact CE1-CD1 3.8Å; F235-F283 HydrophobicContact CE1-CD1 3.8Å; F235-F283 HydrophobicContact CE1-CE1 4.07Å; F235-F283 HydrophobicContact CE2-CD1 4.32Å; F235-F283 AromaticContact CZ-CD1 3.63Å; F235-F283 HydrophobicContact CZ-CD1 3.63Å; F235-F283 HydrophobicContact CZ-CE1 4.29Å; F235-W286 HydrophobicContact CB-CG 4.42Å; F235-W286 HydrophobicContact CD2-CD2 4.24Å; F235-W286 HydrophobicContact CD2-CE3 4.01Å; F235-W286 HydrophobicContact CD2-CZ3 4.22Å; F235-W286 HydrophobicContact CE2-CZ3 4.48Å
236F98.5Very high98.3Very high0 Ų020.5 Ų20.50%010%0.102CC..Hα-helixtrans-77.8-48.8167.9153.4-99.1000112.5F65 L197 L200 L232 F233 W234 H238 P239 E240F65-F236 AromaticContact CE1-CZ 3.79Å; F65-F236 HydrophobicContact CE1-CZ 3.79Å; F65-F236 HydrophobicContact CZ-CE1 4.04Å; F65-F236 AromaticContact CZ-CZ 3.78Å; F65-F236 HydrophobicContact CZ-CZ 3.78Å; L197-F236 HydrophobicContact CD2-CD2 3.97Å; L197-F236 HydrophobicContact CD2-CE2 3.43Å; L197-F236 VanDerWaalsContact CD2-CE2 3.43Å; L197-F236 HydrophobicContact CD2-CZ 4.18Å; L197-F236 HydrophobicContact CG-CE2 4.22Å; L200-F236 HydrophobicContact CB-CB 3.87Å; L200-F236 HydrophobicContact CB-CD1 3.86Å; L200-F236 HydrophobicContact CB-CD2 4.03Å; L200-F236 HydrophobicContact CB-CE1 4.5Å; L200-F236 HydrophobicContact CB-CG 3.61Å; L200-F236 HydrophobicContact CD1-CD1 3.83Å; L200-F236 HydrophobicContact CD1-CE1 4.25Å; L200-F236 HydrophobicContact CD1-CG 4.44Å; L200-F236 HydrophobicContact CD2-CD1 3.84Å; L200-F236 HydrophobicContact CD2-CD2 4.4Å; L200-F236 HydrophobicContact CD2-CE1 3.64Å; L200-F236 HydrophobicContact CD2-CE2 4.23Å; L200-F236 HydrophobicContact CD2-CG 4.23Å; L200-F236 HydrophobicContact CD2-CZ 3.85Å; L200-F236 HydrophobicContact CG-CD1 4.04Å; L200-F236 HydrophobicContact CG-CE1 4.34Å; L200-F236 HydrophobicContact CG-CG 4.3Å; L232-F236 PolarHBondContact O-N 3.14Å; F233-F236 CarbonylContact O-C 3.6Å; F233-F236 WeakPolarHBondContact O-CB 3.43Å; F233-F236 PolarHBondContact O-N 3.5Å; W234-F236 PolarHBondContact O-N 3.37Å; F236-H238 VanDerWaalsContact C-N 3.27Å; F236-H238 PolarHBondContact O-N 3.21Å; F236-P239 WeakPolarHBondContact O-CD 3.5Å; F236-E240 HydrophobicContact CE1-CB 4.17Å; F236-E240 HydrophobicContact CE1-CG 4.24Å; F236-E240 HydrophobicContact CE2-CB 3.87Å; F236-E240 HydrophobicContact CE2-CG 4.11Å; F236-E240 VanDerWaalsContact CE2-OE2 3.3Å; F236-E240 WeakPolarHBondContact CE2-OE2 3.44Å; F236-E240 HydrophobicContact CZ-CB 3.67Å; F236-E240 HydrophobicContact CZ-CG 3.58Å; F236-E240 WeakPolarHBondContact CZ-OE2 3.25Å; F236-E240 WeakPolarHBondContact O-CB 3.38Å; F236-E240 PolarHBondContact O-N 3.42Å
237G98.2Very high98.3Very high1 Ų119.2 Ų19.21%0.019%0.093CC..Hα-helixtrans-66.7-26.3-165.800000113.8F233 W234 E240F233-G237 PolarHBondContact O-N 3.28Å; W234-G237 PolarHBondContact O-N 2.97Å; G237-E240 WeakPolarHBondContact O-CB 3.45Å
238H98.4Very high98.4Very high7 Ų717 Ų173%0.0328%0.082CC..Hα-helixtrans-76.7-49.7174.3-167.983.6000112.9W234 F236 E240 V241 Y242 G282 V285 W286 H288 H289W234-H238 PolarHBondContact O-N 3.46Å; F236-H238 VanDerWaalsContact C-N 3.27Å; F236-H238 PolarHBondContact O-N 3.21Å; H238-E240 PolarHBondContact O-N 2.87Å; H238-V241 WeakPolarHBondContact O-CG2 3.18Å; H238-V241 PolarHBondContact O-N 2.98Å; H238-Y242 AromaticContact CD2-CE2 3.56Å; H238-Y242 AromaticContact CE1-CZ 3.94Å; H238-Y242 PolarHBondContact CE1-OH 3.04Å; H238-Y242 VanDerWaalsContact CE1-OH 3.3Å; H238-Y242 AromaticContact NE2-CE2 3.08Å; H238-Y242 WeakPolarHBondContact NE2-CE2 3.32Å; H238-Y242 AromaticContact NE2-CZ 3.23Å; H238-Y242 PolarHBondContact NE2-OH 3.12Å; H238-G282 PolarHBondContact CD2-O 2.81Å; H238-V285 WeakPolarHBondContact CD2-CG2 3.49Å; H238-V285 WeakPolarHBondContact NE2-CG2 3.26Å; H238-W286 HydrophobicContact CB-CB 4.39Å; H238-H288 AromaticContact CE1-CE1 3.09Å; H238-H288 PolarHBondContact CE1-CE1 2.96Å; H238-H288 AromaticContact CE1-NE2 3.4Å; H238-H288 PolarHBondContact CE1-NE2 3.01Å; H238-H288 AromaticContact ND1-CE1 3.03Å; H238-H288 PolarHBondContact ND1-CE1 3.32Å; H238-H288 AromaticContact ND1-NE2 2.93Å; H238-H288 PolarHBondContact ND1-NE2 3.24Å; H238-H289 AromaticContact ND1-NE2 3.37Å; H238-H289 PolarHBondContact ND1-NE2 3.46Å
239P98.6Very high98.4Very high0 Ų013.6 Ų13.60%06%0.064CC..Hα-helixtrans-51.5-36.1166.5-3136.5000114.1L192 F235 F236 V241 Y242 I243 G282 F283L192-P239 HydrophobicContact CD2-CB 4.41Å; F235-P239 WeakPolarHBondContact O-CD 3.49Å; F235-P239 WeakPolarHBondContact O-CG 3.48Å; F236-P239 WeakPolarHBondContact O-CD 3.5Å; P239-V241 VanDerWaalsContact C-N 3.35Å; P239-V241 PolarHBondContact O-N 2.97Å; P239-Y242 WeakPolarHBondContact O-CB 3.35Å; P239-Y242 PolarHBondContact O-N 2.79Å; P239-I243 WeakPolarHBondContact O-CG1 3.45Å; P239-I243 PolarHBondContact O-N 3.11Å; P239-G282 VanDerWaalsContact CD-O 3.3Å; P239-G282 WeakPolarHBondContact CD-O 3.35Å; P239-G282 WeakPolarHBondContact CG-O 3.48Å; P239-F283 HydrophobicContact CB-CE1 4.23Å; P239-F283 HydrophobicContact CB-CZ 4.42Å; P239-F283 HydrophobicContact CG-CD1 3.72Å; P239-F283 HydrophobicContact CG-CE1 3.71Å; P239-F283 HydrophobicContact CG-CG 4.32Å; P239-F283 HydrophobicContact CG-CZ 4.3Å
240E98.2Very high98.4Very high3 Ų313.6 Ų13.61%0.0146%0.064CC..Hα-helixtrans-57.1-43178.4-177.756.6-150.300112.6I64 M69 F236 G237 H238 Y242 I243 L244I64-E240 HydrophobicContact CG2-CG 4.37Å; M69-E240 VanDerWaalsContact CE-CD 3.43Å; M69-E240 WeakPolarHBondContact CE-OE1 3.37Å; M69-E240 WeakPolarHBondContact CE-OE2 3.5Å; F236-E240 HydrophobicContact CE1-CB 4.17Å; F236-E240 HydrophobicContact CE1-CG 4.24Å; F236-E240 HydrophobicContact CE2-CB 3.87Å; F236-E240 HydrophobicContact CE2-CG 4.11Å; F236-E240 VanDerWaalsContact CE2-OE2 3.3Å; F236-E240 WeakPolarHBondContact CE2-OE2 3.44Å; F236-E240 HydrophobicContact CZ-CB 3.67Å; F236-E240 HydrophobicContact CZ-CG 3.58Å; F236-E240 WeakPolarHBondContact CZ-OE2 3.25Å; F236-E240 WeakPolarHBondContact O-CB 3.38Å; F236-E240 PolarHBondContact O-N 3.42Å; G237-E240 WeakPolarHBondContact O-CB 3.45Å; H238-E240 PolarHBondContact O-N 2.87Å; E240-Y242 PolarHBondContact O-N 3.5Å; E240-Y242 VanDerWaalsContact O-N 3.17Å; E240-I243 WeakPolarHBondContact O-CB 3.39Å; E240-I243 PolarHBondContact O-N 3.23Å; E240-L244 WeakPolarHBondContact O-CG 3.46Å; E240-L244 PolarHBondContact O-N 3.35Å
241V97.4Very high98.4Very high25 Ų2512.1 Ų12.115%0.1526%0.057CC..Hα-helixtrans-64.7-25.2178-60.10000112.8H238 P239 I245 F375H238-V241 WeakPolarHBondContact O-CG2 3.18Å; H238-V241 PolarHBondContact O-N 2.98Å; P239-V241 VanDerWaalsContact C-N 3.35Å; P239-V241 PolarHBondContact O-N 2.97Å; V241-I245 WeakPolarHBondContact O-CG2 3.24Å; V241-F375 HydrophobicContact CG1-CE2 3.86Å
242Y98.2Very high98.4Very high29 Ų299 Ų911%0.1144%0.043CC..Hα-helixtrans-78.6-36.5171.6-61.9-42.4000112.8H238 P239 E240 L244 I245 L246 I278 I310H238-Y242 AromaticContact CD2-CE2 3.56Å; H238-Y242 AromaticContact CE1-CZ 3.94Å; H238-Y242 PolarHBondContact CE1-OH 3.04Å; H238-Y242 VanDerWaalsContact CE1-OH 3.3Å; H238-Y242 AromaticContact NE2-CE2 3.08Å; H238-Y242 WeakPolarHBondContact NE2-CE2 3.32Å; H238-Y242 AromaticContact NE2-CZ 3.23Å; H238-Y242 PolarHBondContact NE2-OH 3.12Å; P239-Y242 WeakPolarHBondContact O-CB 3.35Å; P239-Y242 PolarHBondContact O-N 2.79Å; E240-Y242 PolarHBondContact O-N 3.5Å; E240-Y242 VanDerWaalsContact O-N 3.17Å; Y242-L244 PolarHBondContact O-N 3.01Å; Y242-I245 HydrophobicContact CD1-CG2 4.36Å; Y242-I245 PolarHBondContact O-N 2.9Å; Y242-I245 VanDerWaalsContact O-N 3.13Å; Y242-L246 WeakPolarHBondContact O-CB 3.32Å; Y242-L246 VanDerWaalsContact O-CG 3.25Å; Y242-L246 WeakPolarHBondContact O-CG 3.43Å; Y242-L246 PolarHBondContact O-N 3.03Å; Y242-I278 HydrophobicContact CD1-CG2 3.39Å; Y242-I278 HydrophobicContact CD2-CG2 3.83Å; Y242-I278 HydrophobicContact CE1-CG2 3.65Å; Y242-I278 HydrophobicContact CE2-CG2 4.03Å; Y242-I278 HydrophobicContact CG-CG2 3.54Å; Y242-I310 HydrophobicContact CE1-CG2 4.44Å; Y242-I310 HydrophobicContact CE2-CD1 4.32Å; Y242-I310 WeakPolarHBondContact OH-CD1 3.42Å
243I98.3Very high98.4Very high1 Ų17.2 Ų7.21%0.0053%0.033CC..Hα-helixtrans-55.1-40.8172.7-71.4158.2000110.7M69 I73 T189 L192 L193 P239 E240 I245 P247M69-I243 HydrophobicContact CE-CG2 4.19Å; I73-I243 HydrophobicContact CD1-CG2 3.86Å; T189-I243 HydrophobicContact CG2-CB 3.93Å; T189-I243 HydrophobicContact CG2-CG1 4.01Å; T189-I243 HydrophobicContact CG2-CG2 3.66Å; L192-I243 HydrophobicContact CB-CD1 3.74Å; L192-I243 HydrophobicContact CB-CG1 3.51Å; L192-I243 HydrophobicContact CD1-CG1 3.96Å; L192-I243 HydrophobicContact CG-CG1 4.39Å; L193-I243 HydrophobicContact CB-CD1 4.5Å; L193-I243 HydrophobicContact CD1-CG2 4.27Å; L193-I243 HydrophobicContact CD2-CD1 3.7Å; L193-I243 HydrophobicContact CD2-CG1 4.32Å; L193-I243 HydrophobicContact CD2-CG2 3.79Å; L193-I243 HydrophobicContact CG-CD1 3.82Å; L193-I243 HydrophobicContact CG-CG1 4.09Å; L193-I243 HydrophobicContact CG-CG2 3.9Å; P239-I243 WeakPolarHBondContact O-CG1 3.45Å; P239-I243 PolarHBondContact O-N 3.11Å; E240-I243 WeakPolarHBondContact O-CB 3.39Å; E240-I243 PolarHBondContact O-N 3.23Å; I243-I245 VanDerWaalsContact C-N 3.35Å; I243-I245 PolarHBondContact O-N 3.24Å; I243-P247 WeakPolarHBondContact O-CD 3.44Å
244L97.8Very high98.3Very high1 Ų18 Ų81%0.0054%0.037CC..Hα-helixtrans-71-23.6-179.3-62.1173000114.3I64 V68 M69 M72 E240 Y242 L379I64-L244 HydrophobicContact CG1-CD1 4.47Å; I64-L244 HydrophobicContact CG2-CD1 4.12Å; I64-L244 HydrophobicContact CG2-CD2 4.42Å; V68-L244 HydrophobicContact CB-CD2 4.06Å; V68-L244 HydrophobicContact CG1-CB 4.1Å; V68-L244 HydrophobicContact CG1-CD2 3.76Å; V68-L244 HydrophobicContact CG1-CG 4.45Å; M69-L244 HydrophobicContact CB-CD2 3.84Å; M72-L244 WeakPolarHBondContact CE-O 3.37Å; E240-L244 WeakPolarHBondContact O-CG 3.46Å; E240-L244 PolarHBondContact O-N 3.35Å; Y242-L244 PolarHBondContact O-N 3.01Å; L244-L379 HydrophobicContact CB-CD2 3.87Å; L244-L379 HydrophobicContact CD1-CD1 3.98Å; L244-L379 HydrophobicContact CD1-CD2 3.62Å; L244-L379 HydrophobicContact CD1-CG 4.49Å; L244-L379 HydrophobicContact CG-CD2 4.4Å
245I98.1Very high98.2Very high4 Ų47.3 Ų7.32%0.0214%0.035CC..Hα-helixtrans-114.6-29.2-170.7-163.365.6000114.5V241 Y242 I243 G248 F249 F342 F346 A383V241-I245 WeakPolarHBondContact O-CG2 3.24Å; Y242-I245 HydrophobicContact CD1-CG2 4.36Å; Y242-I245 PolarHBondContact O-N 2.9Å; Y242-I245 VanDerWaalsContact O-N 3.13Å; I243-I245 VanDerWaalsContact C-N 3.35Å; I243-I245 PolarHBondContact O-N 3.24Å; I245-G248 VanDerWaalsContact O-CA 3.3Å; I245-G248 WeakPolarHBondContact O-CA 3.11Å; I245-G248 PolarHBondContact O-N 3.14Å; I245-F249 HydrophobicContact CB-CZ 4.37Å; I245-F249 HydrophobicContact CD1-CE1 4.34Å; I245-F249 HydrophobicContact CG1-CD1 4.11Å; I245-F249 HydrophobicContact CG1-CE1 3.46Å; I245-F249 VanDerWaalsContact CG1-CE1 3.46Å; I245-F249 HydrophobicContact CG1-CE2 4.44Å; I245-F249 HydrophobicContact CG1-CZ 3.65Å; I245-F249 HydrophobicContact CG2-CE1 4.43Å; I245-F249 HydrophobicContact CG2-CE2 3.97Å; I245-F249 HydrophobicContact CG2-CZ 3.79Å; I245-F249 PolarHBondContact O-N 3.44Å; I245-F249 VanDerWaalsContact O-N 3.12Å; I245-F342 HydrophobicContact CD1-CE2 3.98Å; I245-F342 HydrophobicContact CD1-CZ 4.43Å; I245-F346 HydrophobicContact CD1-CD2 4.21Å; I245-F346 HydrophobicContact CD1-CE2 4.05Å; I245-F346 HydrophobicContact CG1-CD2 4.37Å; I245-F346 HydrophobicContact CG1-CE2 3.73Å; I245-F346 HydrophobicContact CG1-CZ 4.31Å; I245-A383 HydrophobicContact CD1-CB 4.05Å
246L98.5Very high98.2Very high0 Ų04.6 Ų4.60%02%0.022CC..Hα-helixtrans-55.2-47.8-176.7-78176000112.2S185 I188 T189 L192 Y242 G248 F249 G250 M275 I278S185-L246 WeakPolarHBondContact CB-O 3.33Å; I188-L246 HydrophobicContact CB-CD1 4.33Å; I188-L246 HydrophobicContact CG2-CD1 3.65Å; T189-L246 WeakPolarHBondContact OG1-CB 3.28Å; L192-L246 HydrophobicContact CD1-CD1 3.67Å; Y242-L246 WeakPolarHBondContact O-CB 3.32Å; Y242-L246 VanDerWaalsContact O-CG 3.25Å; Y242-L246 WeakPolarHBondContact O-CG 3.43Å; Y242-L246 PolarHBondContact O-N 3.03Å; L246-G248 PolarHBondContact O-N 3.16Å; L246-G248 VanDerWaalsContact O-N 3.16Å; L246-F249 HydrophobicContact CD2-CD2 3.68Å; L246-F249 HydrophobicContact CD2-CE2 3.87Å; L246-F249 VanDerWaalsContact O-CB 3.26Å; L246-F249 WeakPolarHBondContact O-CB 3.29Å; L246-F249 PolarHBondContact O-N 3.08Å; L246-G250 PolarHBondContact O-N 3.41Å; L246-M275 HydrophobicContact CD2-CB 4.15Å; L246-M275 HydrophobicContact CD2-CG 4.08Å; L246-I278 HydrophobicContact CD2-CG2 4.37Å
247P98.7Very high98Very high0 Ų04.9 Ų4.90%02%0.024CC..Hα-helixtrans-59.8-29.6176.4-20.332.7000112.7M72 I73 F182 S185 V186 T189 I243 F249 G250 M251M72-P247 HydrophobicContact CB-CB 4.39Å; M72-P247 HydrophobicContact CB-CG 4.44Å; M72-P247 HydrophobicContact CE-CB 4.11Å; I73-P247 HydrophobicContact CG1-CG 3.96Å; F182-P247 WeakPolarHBondContact CD2-O 3.5Å; F182-P247 HydrophobicContact CE2-CB 4.02Å; S185-P247 WeakPolarHBondContact OG-CA 3.49Å; V186-P247 HydrophobicContact CG2-CB 4.45Å; T189-P247 HydrophobicContact CG2-CG 4.31Å; I243-P247 WeakPolarHBondContact O-CD 3.44Å; P247-F249 VanDerWaalsContact C-N 3.35Å; P247-G250 PolarHBondContact O-N 3.44Å; P247-M251 WeakPolarHBondContact O-CG 3.35Å; P247-M251 PolarHBondContact O-N 2.7Å
248G98.5Very high97.9Very high0 Ų06 Ų60%03%0.03CC..Hα-helixtrans-64.5-40.717500000111.8I245 L246 G250 M251 I252I245-G248 VanDerWaalsContact O-CA 3.3Å; I245-G248 WeakPolarHBondContact O-CA 3.11Å; I245-G248 PolarHBondContact O-N 3.14Å; L246-G248 PolarHBondContact O-N 3.16Å; L246-G248 VanDerWaalsContact O-N 3.16Å; G248-G250 VanDerWaalsContact C-N 3.28Å; G248-G250 PolarHBondContact O-N 3.44Å; G248-M251 PolarHBondContact O-N 3.34Å; G248-I252 WeakPolarHBondContact O-CB 3.3Å; G248-I252 VanDerWaalsContact O-CG1 3.24Å; G248-I252 WeakPolarHBondContact O-CG1 3.27Å; G248-I252 PolarHBondContact O-N 3.42Å
249F98.6Very high97.7Very high3 Ų37.6 Ų7.61%0.0134%0.037CC..Hα-helixtrans-60.3-41173.1-55.2-29.4000112.1I245 L246 P247 S253 I278 K317 W321 F342 F346I245-F249 HydrophobicContact CB-CZ 4.37Å; I245-F249 HydrophobicContact CD1-CE1 4.34Å; I245-F249 HydrophobicContact CG1-CD1 4.11Å; I245-F249 HydrophobicContact CG1-CE1 3.46Å; I245-F249 VanDerWaalsContact CG1-CE1 3.46Å; I245-F249 HydrophobicContact CG1-CE2 4.44Å; I245-F249 HydrophobicContact CG1-CZ 3.65Å; I245-F249 HydrophobicContact CG2-CE1 4.43Å; I245-F249 HydrophobicContact CG2-CE2 3.97Å; I245-F249 HydrophobicContact CG2-CZ 3.79Å; I245-F249 PolarHBondContact O-N 3.44Å; I245-F249 VanDerWaalsContact O-N 3.12Å; L246-F249 HydrophobicContact CD2-CD2 3.68Å; L246-F249 HydrophobicContact CD2-CE2 3.87Å; L246-F249 VanDerWaalsContact O-CB 3.26Å; L246-F249 WeakPolarHBondContact O-CB 3.29Å; L246-F249 PolarHBondContact O-N 3.08Å; P247-F249 VanDerWaalsContact C-N 3.35Å; F249-S253 WeakPolarHBondContact O-CB 3.48Å; F249-S253 PolarHBondContact O-N 3.15Å; F249-S253 PolarHBondContact O-OG 3.37Å; F249-I278 HydrophobicContact CE2-CD1 4.31Å; F249-K317 HydrophobicContact CD2-CD 4.31Å; F249-K317 VanDerWaalsContact CE1-NZ 3.27Å; F249-W321 HydrophobicContact CB-CH2 4.14Å; F249-W321 HydrophobicContact CB-CZ2 3.93Å; F249-W321 AromaticContact CD1-CH2 3.55Å; F249-W321 HydrophobicContact CD1-CH2 3.55Å; F249-W321 HydrophobicContact CD1-CZ2 4.2Å; F249-W321 HydrophobicContact CE1-CH2 4.14Å; F249-W321 HydrophobicContact CG-CH2 4.09Å; F249-W321 HydrophobicContact CG-CZ2 4.39Å; F249-F342 HydrophobicContact CD1-CE1 4.39Å; F249-F342 AromaticContact CD1-CZ 3.75Å; F249-F342 HydrophobicContact CD1-CZ 3.75Å; F249-F342 AromaticContact CE1-CZ 3.86Å; F249-F342 HydrophobicContact CE1-CZ 3.86Å; F249-F346 HydrophobicContact CE1-CD1 4.39Å; F249-F346 AromaticContact CE1-CE1 3.75Å; F249-F346 HydrophobicContact CE1-CE1 3.75Å; F249-F346 HydrophobicContact CE1-CE2 4.06Å; F249-F346 AromaticContact CE1-CZ 3.58Å; F249-F346 HydrophobicContact CE1-CZ 3.58Å; F249-F346 AromaticContact CZ-CE1 3.94Å; F249-F346 HydrophobicContact CZ-CE1 3.94Å; F249-F346 HydrophobicContact CZ-CE2 4.23Å; F249-F346 AromaticContact CZ-CZ 3.52Å; F249-F346 HydrophobicContact CZ-CZ 3.52Å
250G98.4Very high97.5Very high0 Ų08.2 Ų8.20%04%0.041CC..Hα-helixtrans-59.1-49.4173.700000112.4L246 P247 G248 S253 H254L246-G250 PolarHBondContact O-N 3.41Å; P247-G250 PolarHBondContact O-N 3.44Å; G248-G250 VanDerWaalsContact C-N 3.28Å; G248-G250 PolarHBondContact O-N 3.44Å; G250-S253 PolarHBondContact O-N 3.4Å; G250-H254 PolarHBondContact O-CD2 2.83Å; G250-H254 VanDerWaalsContact O-CD2 3.29Å; G250-H254 PolarHBondContact O-N 2.96Å
251M98.5Very high97.3Very high0 Ų010.9 Ų10.90%07%0.069CC..Hα-helixtrans-61.8-49.2179.8-71-169-70.800112.4M72 F76 F182 P247 G248 S253 H254 I255 A386 W394M72-M251 HydrophobicContact CE-CE 3.75Å; M72-M251 HydrophobicContact SD-CE 3.33Å; M72-M251 WeakPolarHBondContact SD-CE 3.45Å; F76-M251 HydrophobicContact CB-SD 4.25Å; F76-M251 HydrophobicContact CD1-SD 3.66Å; F76-M251 HydrophobicContact CD2-CE 3.97Å; F76-M251 HydrophobicContact CD2-SD 3.49Å; F76-M251 WeakPolarHBondContact CD2-SD 3.41Å; F76-M251 HydrophobicContact CE1-SD 3.78Å; F76-M251 HydrophobicContact CE2-CE 4.03Å; F76-M251 HydrophobicContact CE2-SD 3.61Å; F76-M251 HydrophobicContact CG-SD 3.52Å; F76-M251 VanDerWaalsContact CG-SD 3.52Å; F76-M251 HydrophobicContact CZ-SD 3.76Å; F182-M251 HydrophobicContact CD2-CG 3.66Å; F182-M251 HydrophobicContact CE2-CG 3.61Å; F182-M251 HydrophobicContact CE2-SD 4.41Å; P247-M251 WeakPolarHBondContact O-CG 3.35Å; P247-M251 PolarHBondContact O-N 2.7Å; G248-M251 PolarHBondContact O-N 3.34Å; M251-S253 VanDerWaalsContact C-N 3.26Å; M251-S253 PolarHBondContact O-N 3.31Å; M251-H254 PolarHBondContact O-N 3.28Å; M251-I255 WeakPolarHBondContact O-CG1 3.45Å; M251-I255 PolarHBondContact O-N 3.32Å; M251-I255 VanDerWaalsContact O-N 3.07Å; M251-A386 HydrophobicContact CE-CB 4.2Å; M251-W394 HydrophobicContact CB-CH2 3.98Å; M251-W394 HydrophobicContact CB-CZ3 3.79Å; M251-W394 HydrophobicContact CG-CH2 4.01Å; M251-W394 HydrophobicContact CG-CZ3 3.62Å; M251-W394 HydrophobicContact SD-CZ3 3.96Å
252I98.6Very high97.1Very high0 Ų012.9 Ų12.90%08%0.076CC..Hα-helixtrans-61.7-36.7-179.9-66.1-60.4000111.5G248 H254 I255 I256 W321 A339 F342 V343 A386 A389G248-I252 WeakPolarHBondContact O-CB 3.3Å; G248-I252 VanDerWaalsContact O-CG1 3.24Å; G248-I252 WeakPolarHBondContact O-CG1 3.27Å; G248-I252 PolarHBondContact O-N 3.42Å; I252-H254 PolarHBondContact O-N 2.81Å; I252-I255 PolarHBondContact O-N 3.12Å; I252-I256 HydrophobicContact CG2-CD1 3.6Å; I252-I256 HydrophobicContact CG2-CG1 4.18Å; I252-I256 WeakPolarHBondContact O-CB 3.49Å; I252-I256 VanDerWaalsContact O-CG1 3.32Å; I252-I256 WeakPolarHBondContact O-CG1 3.36Å; I252-I256 PolarHBondContact O-N 3.21Å; I252-W321 HydrophobicContact CB-CZ2 4.36Å; I252-W321 HydrophobicContact CG2-CD2 4.15Å; I252-W321 HydrophobicContact CG2-CZ2 4.17Å; I252-A339 HydrophobicContact CD1-CB 4.03Å; I252-F342 HydrophobicContact CB-CD1 4.23Å; I252-F342 HydrophobicContact CB-CE1 4.29Å; I252-F342 HydrophobicContact CD1-CB 4Å; I252-F342 HydrophobicContact CD1-CD1 4.09Å; I252-F342 HydrophobicContact CD1-CD2 4.47Å; I252-F342 HydrophobicContact CD1-CG 3.92Å; I252-F342 HydrophobicContact CG1-CB 4.43Å; I252-F342 HydrophobicContact CG1-CD1 3.62Å; I252-F342 HydrophobicContact CG1-CD2 4.19Å; I252-F342 HydrophobicContact CG1-CE1 3.88Å; I252-F342 HydrophobicContact CG1-CE2 4.4Å; I252-F342 HydrophobicContact CG1-CG 3.8Å; I252-F342 HydrophobicContact CG1-CZ 4.27Å; I252-F342 HydrophobicContact CG2-CD1 3.85Å; I252-F342 HydrophobicContact CG2-CE1 4.14Å; I252-V343 HydrophobicContact CG2-CG2 4.43Å; I252-A386 HydrophobicContact CD1-CB 4.37Å; I252-A386 HydrophobicContact CG1-CB 4.16Å; I252-A389 HydrophobicContact CD1-CB 3.86Å
253S98.3Very high96.7Very high1 Ų119.5 Ų19.51%0.00711%0.106CC..Hα-helixtrans-60.9-45.3177.6-57.60000111.9F249 G250 M251 S257 T265 M271 W321F249-S253 WeakPolarHBondContact O-CB 3.48Å; F249-S253 PolarHBondContact O-N 3.15Å; F249-S253 PolarHBondContact O-OG 3.37Å; G250-S253 PolarHBondContact O-N 3.4Å; M251-S253 VanDerWaalsContact C-N 3.26Å; M251-S253 PolarHBondContact O-N 3.31Å; S253-S257 PolarHBondContact O-N 3.37Å; S253-S257 PolarHBondContact O-OG 2.83Å; S253-T265 WeakPolarHBondContact CB-OG1 3.36Å; S253-T265 PolarHBondContact O-OG1 3.23Å; S253-T265 VanDerWaalsContact O-OG1 3.13Å; S253-M271 VanDerWaalsContact OG-CE 3.27Å; S253-M271 WeakPolarHBondContact OG-CE 3.14Å; S253-W321 PolarHBondContact OG-NE1 3.05Å
254H97.3Very high96.5Very high21 Ų2125.6 Ų25.610%0.09713%0.134CC..Hα-helixtrans-65.6-45.1177.2-78.4-71.2000113G250 M251 I252 I256 S257 Q258 W394G250-H254 PolarHBondContact O-CD2 2.83Å; G250-H254 VanDerWaalsContact O-CD2 3.29Å; G250-H254 PolarHBondContact O-N 2.96Å; M251-H254 PolarHBondContact O-N 3.28Å; I252-H254 PolarHBondContact O-N 2.81Å; H254-I256 VanDerWaalsContact C-N 3.34Å; H254-I256 PolarHBondContact O-N 3.48Å; H254-S257 WeakPolarHBondContact CA-OG 3.19Å; H254-S257 PolarHBondContact O-N 3.11Å; H254-S257 PolarHBondContact O-OG 3.13Å; H254-Q258 WeakPolarHBondContact O-CB 3.24Å; H254-Q258 PolarHBondContact O-N 3.43Å; H254-W394 HydrophobicContact CB-CH2 4.11Å; H254-W394 HydrophobicContact CB-CZ2 3.93Å
255I96.9Very high96.4Very high0 Ų025.7 Ų25.70%014%0.135CC..Hα-helixtrans-60.1-47.4178-65168.7000110M251 I252 Q258 E259 A335 A339 A389 H393 W394M251-I255 WeakPolarHBondContact O-CG1 3.45Å; M251-I255 PolarHBondContact O-N 3.32Å; M251-I255 VanDerWaalsContact O-N 3.07Å; I252-I255 PolarHBondContact O-N 3.12Å; I255-Q258 PolarHBondContact O-N 2.89Å; I255-E259 HydrophobicContact CG2-CG 4.1Å; I255-E259 VanDerWaalsContact O-CB 3.31Å; I255-E259 WeakPolarHBondContact O-CB 3.36Å; I255-E259 VanDerWaalsContact O-CG 3.23Å; I255-E259 WeakPolarHBondContact O-CG 3.45Å; I255-E259 PolarHBondContact O-N 3.29Å; I255-A335 HydrophobicContact CG2-CB 3.95Å; I255-A339 HydrophobicContact CG2-CB 3.99Å; I255-A389 VanDerWaalsContact CD1-C 3.46Å; I255-A389 HydrophobicContact CD1-CB 3.57Å; I255-A389 WeakPolarHBondContact CD1-O 3.02Å; I255-H393 HydrophobicContact CD1-CB 4.01Å; I255-H393 HydrophobicContact CG1-CB 3.92Å; I255-W394 HydrophobicContact CG1-CH2 4.35Å
256I97.5Very high96.4Very high0 Ų030.9 Ų30.90%016%0.157CC..Hα-helixtrans-64.6-43-179.4-73.1178.8000111.2I252 H254 S260 W321 T324 L325 I336 A339 V343I252-I256 HydrophobicContact CG2-CD1 3.6Å; I252-I256 HydrophobicContact CG2-CG1 4.18Å; I252-I256 WeakPolarHBondContact O-CB 3.49Å; I252-I256 VanDerWaalsContact O-CG1 3.32Å; I252-I256 WeakPolarHBondContact O-CG1 3.36Å; I252-I256 PolarHBondContact O-N 3.21Å; H254-I256 VanDerWaalsContact C-N 3.34Å; H254-I256 PolarHBondContact O-N 3.48Å; I256-S260 WeakPolarHBondContact O-CB 3.45Å; I256-S260 PolarHBondContact O-N 3.07Å; I256-S260 PolarHBondContact O-OG 2.92Å; I256-W321 HydrophobicContact CD1-CB 3.66Å; I256-W321 HydrophobicContact CD1-CD2 4.49Å; I256-W321 HydrophobicContact CD1-CG 3.72Å; I256-T324 HydrophobicContact CG2-CG2 3.72Å; I256-L325 HydrophobicContact CD1-CD1 4.46Å; I256-L325 HydrophobicContact CG2-CD2 3.91Å; I256-L325 HydrophobicContact CG2-CG 3.84Å; I256-I336 HydrophobicContact CG1-CD1 4.34Å; I256-A339 HydrophobicContact CD1-CB 4.46Å; I256-A339 HydrophobicContact CG1-CB 4.03Å; I256-V343 HydrophobicContact CD1-CG2 4.01Å
257S95.7Very high96.3Very high6 Ų632.5 Ų32.54%0.04217%0.174CC..Hα-helixtrans-63.8-43.817751.30000112.1S253 H254 S260 G261 K262S253-S257 PolarHBondContact O-N 3.37Å; S253-S257 PolarHBondContact O-OG 2.83Å; H254-S257 WeakPolarHBondContact CA-OG 3.19Å; H254-S257 PolarHBondContact O-N 3.11Å; H254-S257 PolarHBondContact O-OG 3.13Å; S257-S260 PolarHBondContact O-N 3.4Å; S257-G261 PolarHBondContact O-N 2.91Å; S257-K262 CarbonylContact C-O 2.98Å; S257-K262 WeakPolarHBondContact CB-O 3.18Å; S257-K262 PolarHBondContact O-N 3.03Å
258Q94.9Very high96.2Very high26 Ų2633.6 Ų33.612%0.12118%0.182CC..Hα-helixtrans-66.5-48.5-179.2-172.7165.8-33.900112.4H254 I255 S260 G261 H393 I484 L486H254-Q258 WeakPolarHBondContact O-CB 3.24Å; H254-Q258 PolarHBondContact O-N 3.43Å; I255-Q258 PolarHBondContact O-N 2.89Å; Q258-S260 PolarHBondContact O-N 2.97Å; Q258-G261 PolarHBondContact O-N 3.48Å; Q258-H393 PolarHBondContact NE2-CE1 2.65Å; Q258-H393 VanDerWaalsContact NE2-CE1 3.32Å; Q258-H393 PolarHBondContact OE1-CE1 2.82Å; Q258-H393 PolarHBondContact OE1-NE2 3.27Å; Q258-I484 PolarHBondContact NE2-O 2.98Å; Q258-L486 HydrophobicContact CB-CD1 4.18Å; Q258-L486 HydrophobicContact CG-CG 4.39Å
259E94.7Very high96.1Very high39 Ų3937.9 Ų37.918%0.18220%0.204CC..Hα-helixtrans-69.5-20.3178.1-64.6-73.7149.600112.6I255 S333 I336I255-E259 HydrophobicContact CG2-CG 4.1Å; I255-E259 VanDerWaalsContact O-CB 3.31Å; I255-E259 WeakPolarHBondContact O-CB 3.36Å; I255-E259 VanDerWaalsContact O-CG 3.23Å; I255-E259 WeakPolarHBondContact O-CG 3.45Å; I255-E259 PolarHBondContact O-N 3.29Å; E259-S333 PolarHBondContact OE1-OG 3.24Å; E259-S333 WeakPolarHBondContact OE2-CB 3.45Å; E259-S333 PolarHBondContact OE2-OG 2.85Å; E259-I336 HydrophobicContact CB-CB 4.09Å; E259-I336 HydrophobicContact CB-CD1 3.74Å; E259-I336 HydrophobicContact CB-CG1 4.11Å; E259-I336 HydrophobicContact CG-CB 3.97Å; E259-I336 HydrophobicContact CG-CD1 4.22Å; E259-I336 HydrophobicContact CG-CG1 4.5Å
260S94.5Very high96.1Very high14 Ų1439.1 Ų39.110%0.09822%0.218CC..THydrogen-bonded Turntrans-83.8-9.5172.3-67.60000113.6I256 S257 Q258 K262 T324 T328I256-S260 WeakPolarHBondContact O-CB 3.45Å; I256-S260 PolarHBondContact O-N 3.07Å; I256-S260 PolarHBondContact O-OG 2.92Å; S257-S260 PolarHBondContact O-N 3.4Å; Q258-S260 PolarHBondContact O-N 2.97Å; S260-K262 PolarHBondContact O-N 3.41Å; S260-T324 PolarHBondContact OG-O 3Å; S260-T328 WeakPolarHBondContact O-CG2 3.28Å
261G93Very high96.1Very high58 Ų5839.1 Ų39.160%0.59822%0.218SC*.THydrogen-bonded Turntrans64.718.9-17100000113.9S257 Q258S257-G261 PolarHBondContact O-N 2.91Å; Q258-G261 PolarHBondContact O-N 3.48Å
262K93.5Very high96.1Very high68 Ų6839.3 Ų39.330%0.29622%0.219SC..  trans-100135.8-179.5-67.5-176.5-177174.20109.3S257 S260 E264 A323 T324 H326 L486S257-K262 CarbonylContact C-O 2.98Å; S257-K262 WeakPolarHBondContact CB-O 3.18Å; S257-K262 PolarHBondContact O-N 3.03Å; S260-K262 PolarHBondContact O-N 3.41Å; K262-E264 PolarHBondContact O-N 3.07Å; K262-E264 VanDerWaalsContact O-N 3.16Å; K262-A323 PolarHBondContact NZ-O 3.04Å; K262-T324 HydrophobicContact CB-CG2 4.5Å; K262-T324 HydrophobicContact CD-CG2 4.05Å; K262-T324 VanDerWaalsContact CD-O 3.23Å; K262-T324 WeakPolarHBondContact CD-O 3.44Å; K262-T324 WeakPolarHBondContact CE-O 3.19Å; K262-T324 PolarHBondContact NZ-O 3.45Å; K262-H326 PolarHBondContact NZ-O 3.46Å; K262-L486 WeakPolarHBondContact O-CD1 3.49Å
263K91.4Very high96.1Very high168 Ų16846.6 Ų46.673%0.7325%0.248SC*.SBendtrans-62-25.4-175.9-66.2-174.6178.9-177.40114.1S488K263-S488 WeakPolarHBondContact O-CB 3.36Å; K263-S488 PolarHBondContact O-OG 2.87Å
264E93.5Very high96.1Very high128 Ų12846.7 Ų46.760%0.59825%0.248SC*.SBendtrans-150.1165-179.762.1-179.7174.800110.9K262K262-E264 PolarHBondContact O-N 3.07Å; K262-E264 VanDerWaalsContact O-N 3.16Å
265T96.3Very high96.1Very high4 Ų445.8 Ų45.83%0.02524%0.244CC..  trans-72138.6170.1-57.90000109.7L181 S253 G267 S268 M271 T324L181-T265 HydrophobicContact CD1-CG2 4.44Å; S253-T265 WeakPolarHBondContact CB-OG1 3.36Å; S253-T265 PolarHBondContact O-OG1 3.23Å; S253-T265 VanDerWaalsContact O-OG1 3.13Å; T265-G267 PolarHBondContact O-N 3.31Å; T265-S268 PolarHBondContact O-N 2.69Å; T265-M271 HydrophobicContact CG2-CE 4.4Å; T265-M271 HydrophobicContact CG2-CG 4.29Å; T265-T324 WeakPolarHBondContact CG2-OG1 3.46Å
266F97.5Very high96.2Very high112 Ų11249 Ų4949%0.49126%0.261SS..THydrogen-bonded Turntrans-52.5132.8173.3177.1-89.2000110.8F319 S320 A323 T324F266-F319 HydrophobicContact CD1-CE1 4.35Å; F266-F319 HydrophobicContact CE1-CD1 4.33Å; F266-F319 AromaticContact CE1-CE1 3.74Å; F266-F319 HydrophobicContact CE1-CE1 3.74Å; F266-F319 HydrophobicContact CZ-CE1 4.45Å; F266-S320 VanDerWaalsContact O-CB 3.22Å; F266-S320 WeakPolarHBondContact O-CB 3.35Å; F266-S320 PolarHBondContact O-OG 2.98Å; F266-A323 HydrophobicContact CB-CB 3.97Å; F266-A323 HydrophobicContact CD1-CB 3.67Å; F266-A323 HydrophobicContact CD2-CB 4.3Å; F266-A323 HydrophobicContact CE1-CB 4.26Å; F266-A323 HydrophobicContact CG-CB 3.7Å; F266-T324 WeakPolarHBondContact CB-OG1 3.42Å; F266-T324 PolarHBondContact N-OG1 3.32Å
267G96.9Very high96.3Very high35 Ų3550.8 Ų50.836%0.36128%0.275SS..THydrogen-bonded Turntrans62.841.6178.400000113.5T265 L269 G270 M271T265-G267 PolarHBondContact O-N 3.31Å; G267-L269 VanDerWaalsContact C-N 3.29Å; G267-L269 PolarHBondContact O-N 3.35Å; G267-G270 CarbonylContact O-C 3.57Å; G267-G270 VanDerWaalsContact O-CA 3.29Å; G267-G270 WeakPolarHBondContact O-CA 3.25Å; G267-G270 PolarHBondContact O-N 3.07Å; G267-M271 PolarHBondContact O-N 2.88Å
268S96.2Very high96.4Very high23 Ų2350.5 Ų50.516%0.16127%0.274CS..Hα-helixtrans-48.1-45.4-179.9-173.70000113.5T265 G270 M271 I272T265-S268 PolarHBondContact O-N 2.69Å; S268-G270 PolarHBondContact O-N 3.32Å; S268-M271 VanDerWaalsContact O-CB 3.3Å; S268-M271 WeakPolarHBondContact O-CB 3.48Å; S268-M271 PolarHBondContact O-N 3.33Å; S268-M271 VanDerWaalsContact O-N 3.13Å; S268-I272 WeakPolarHBondContact O-CG1 3.48Å; S268-I272 PolarHBondContact O-N 3.2Å
269L96.8Very high96.5Very high89 Ų8949.6 Ų49.647%0.46627%0.271SS..Hα-helixtrans-60.5-42.4173-73.9174.9000112.9D177 G267 M271 I272 Y273D177-L269 HydrophobicContact CB-CD2 4Å; G267-L269 VanDerWaalsContact C-N 3.29Å; G267-L269 PolarHBondContact O-N 3.35Å; L269-M271 VanDerWaalsContact C-N 3.28Å; L269-M271 PolarHBondContact O-N 3.05Å; L269-I272 HydrophobicContact CD2-CD1 4.42Å; L269-I272 PolarHBondContact O-N 3.22Å; L269-Y273 HydrophobicContact CB-CE2 4.36Å; L269-Y273 WeakPolarHBondContact O-CD2 3.41Å; L269-Y273 PolarHBondContact O-N 2.87Å
270G97.8Very high96.7Very high29 Ų2953.7 Ų53.730%0.29929%0.294SS..Hα-helixtrans-61.6-36.3174.500000112.5G267 S268 A274G267-G270 CarbonylContact O-C 3.57Å; G267-G270 VanDerWaalsContact O-CA 3.29Å; G267-G270 WeakPolarHBondContact O-CA 3.25Å; G267-G270 PolarHBondContact O-N 3.07Å; S268-G270 PolarHBondContact O-N 3.32Å; G270-A274 WeakPolarHBondContact O-CB 3.35Å; G270-A274 PolarHBondContact O-N 3.42Å
271M98.1Very high96.8Very high0 Ų054.3 Ų54.30%030%0.295CS..Hα-helixtrans-63.7-44.6173.2-65.1-73.3-73.400111.6L181 S253 T265 G267 S268 L269 A274 M275 K317 S320 W321L181-M271 HydrophobicContact CD1-CB 4.1Å; L181-M271 HydrophobicContact CD1-CE 4.42Å; L181-M271 HydrophobicContact CD1-CG 4.2Å; L181-M271 HydrophobicContact CD2-CB 3.75Å; S253-M271 VanDerWaalsContact OG-CE 3.27Å; S253-M271 WeakPolarHBondContact OG-CE 3.14Å; T265-M271 HydrophobicContact CG2-CE 4.4Å; T265-M271 HydrophobicContact CG2-CG 4.29Å; G267-M271 PolarHBondContact O-N 2.88Å; S268-M271 VanDerWaalsContact O-CB 3.3Å; S268-M271 WeakPolarHBondContact O-CB 3.48Å; S268-M271 PolarHBondContact O-N 3.33Å; S268-M271 VanDerWaalsContact O-N 3.13Å; L269-M271 VanDerWaalsContact C-N 3.28Å; L269-M271 PolarHBondContact O-N 3.05Å; M271-A274 PolarHBondContact O-N 3.43Å; M271-M275 WeakPolarHBondContact O-CG 3.38Å; M271-M275 PolarHBondContact O-N 3.44Å; M271-K317 HydrophobicContact CE-CB 4.12Å; M271-K317 HydrophobicContact CE-CG 4.07Å; M271-K317 VanDerWaalsContact SD-CA 3.56Å; M271-K317 HydrophobicContact SD-CB 3.83Å; M271-K317 HydrophobicContact SD-CG 3.67Å; M271-S320 WeakPolarHBondContact SD-CB 3.49Å; M271-W321 HydrophobicContact CE-CZ2 3.95Å
272I98.3Very high97Very high5 Ų551.5 Ų51.53%0.02627%0.267CS..Hα-helixtrans-60.6-51177.3-65164.5000110L181 W184 S268 L269 A274 M275 L276L181-I272 HydrophobicContact CD2-CD1 4.41Å; L181-I272 HydrophobicContact CD2-CG1 3.7Å; W184-I272 HydrophobicContact CD2-CG1 4.39Å; W184-I272 HydrophobicContact CD2-CG2 3.76Å; W184-I272 HydrophobicContact CE3-CG2 4.09Å; W184-I272 HydrophobicContact CG-CD1 4.36Å; W184-I272 HydrophobicContact CG-CG1 3.98Å; W184-I272 HydrophobicContact CG-CG2 4.2Å; W184-I272 HydrophobicContact CH2-CG2 4.3Å; W184-I272 HydrophobicContact CZ2-CG2 3.98Å; W184-I272 HydrophobicContact CZ3-CG2 4.35Å; S268-I272 WeakPolarHBondContact O-CG1 3.48Å; S268-I272 PolarHBondContact O-N 3.2Å; L269-I272 HydrophobicContact CD2-CD1 4.42Å; L269-I272 PolarHBondContact O-N 3.22Å; I272-A274 VanDerWaalsContact C-N 3.32Å; I272-A274 PolarHBondContact O-N 2.78Å; I272-M275 PolarHBondContact O-N 3.01Å; I272-L276 HydrophobicContact CG2-CD1 4.03Å; I272-L276 WeakPolarHBondContact O-CG 3.43Å; I272-L276 PolarHBondContact O-N 2.68Å
273Y98.3Very high97.2Very high153 Ų15349.9 Ų49.960%0.626%0.26SS*.Hα-helixtrans-64-36.3178.6-65.4-46.6000112.9L269 L276 A277L269-Y273 HydrophobicContact CB-CE2 4.36Å; L269-Y273 WeakPolarHBondContact O-CD2 3.41Å; L269-Y273 PolarHBondContact O-N 2.87Å; Y273-L276 HydrophobicContact CD1-CD1 4.23Å; Y273-L276 PolarHBondContact O-N 3.32Å; Y273-A277 WeakPolarHBondContact O-CB 3.47Å; Y273-A277 PolarHBondContact O-N 2.93Å
274A98.6Very high97.5Very high3 Ų345.1 Ų45.13%0.02524%0.242CC..Hα-helixtrans-63.5-42.9174.500000112.1G270 M271 I272 A277 I278 P313 I316 K317G270-A274 WeakPolarHBondContact O-CB 3.35Å; G270-A274 PolarHBondContact O-N 3.42Å; M271-A274 PolarHBondContact O-N 3.43Å; I272-A274 VanDerWaalsContact C-N 3.32Å; I272-A274 PolarHBondContact O-N 2.78Å; A274-A277 PolarHBondContact O-N 3.15Å; A274-I278 VanDerWaalsContact O-CG1 3.3Å; A274-I278 WeakPolarHBondContact O-CG1 3.39Å; A274-I278 PolarHBondContact O-N 3.44Å; A274-P313 HydrophobicContact CB-CB 3.9Å; A274-P313 WeakPolarHBondContact CB-O 3.48Å; A274-I316 HydrophobicContact CB-CB 4.35Å; A274-I316 HydrophobicContact CB-CG2 4.25Å; A274-K317 HydrophobicContact CB-CD 3.92Å; A274-K317 HydrophobicContact CB-CG 3.77Å
275M98.6Very high97.8Very high1 Ų139 Ų391%0.00521%0.213CC..Hα-helixtrans-65.5-40.2175.8-68.9-174.2-66.100112L181 W184 I188 L246 M271 I272 I278 G279 K317L181-M275 HydrophobicContact CD2-CE 4.06Å; W184-M275 HydrophobicContact CB-CE 3.91Å; I188-M275 HydrophobicContact CD1-CB 3.5Å; L246-M275 HydrophobicContact CD2-CB 4.15Å; L246-M275 HydrophobicContact CD2-CG 4.08Å; M271-M275 WeakPolarHBondContact O-CG 3.38Å; M271-M275 PolarHBondContact O-N 3.44Å; I272-M275 PolarHBondContact O-N 3.01Å; M275-I278 PolarHBondContact O-N 3.03Å; M275-G279 PolarHBondContact O-N 3.27Å; M275-K317 HydrophobicContact CG-CD 4.17Å
276L98.4Very high97.9Very high68 Ų6842 Ų4236%0.35622%0.224SC..Hα-helixtrans-62.5-43.4174.7-73.5168000111.7W184 I188 I272 Y273 G279 L280W184-L276 HydrophobicContact CZ3-CD2 4.32Å; I188-L276 HydrophobicContact CD1-CD2 3.9Å; I188-L276 HydrophobicContact CD1-CG 3.98Å; I188-L276 HydrophobicContact CG1-CD2 3.91Å; I272-L276 HydrophobicContact CG2-CD1 4.03Å; I272-L276 WeakPolarHBondContact O-CG 3.43Å; I272-L276 PolarHBondContact O-N 2.68Å; Y273-L276 HydrophobicContact CD1-CD1 4.23Å; Y273-L276 PolarHBondContact O-N 3.32Å; L276-G279 PolarHBondContact O-N 2.97Å; L276-L280 PolarHBondContact O-N 3.28Å
277A98.6Very high97.9Very high37 Ų3736.6 Ų36.631%0.30620%0.201SC..Hα-helixtrans-62.6-44.2177.200000111.8Y273 A274 L280 L281 P313Y273-A277 WeakPolarHBondContact O-CB 3.47Å; Y273-A277 PolarHBondContact O-N 2.93Å; A274-A277 PolarHBondContact O-N 3.15Å; A277-L280 PolarHBondContact O-N 3.47Å; A277-L281 VanDerWaalsContact O-CB 3.26Å; A277-L281 WeakPolarHBondContact O-CB 3.5Å; A277-L281 WeakPolarHBondContact O-CD1 3.22Å; A277-L281 WeakPolarHBondContact O-CG 3.31Å; A277-L281 PolarHBondContact O-N 3.4Å; A277-P313 HydrophobicContact CB-CB 4.11Å; A277-P313 HydrophobicContact CB-CG 4.3Å
278I98.4Very high97.9Very high1 Ų135.9 Ų35.91%0.00519%0.188CC..Hα-helixtrans-60.5-46.1174.7-69.3165.7000110.5Y242 L246 F249 A274 M275 L280 L281 G282 I310 P313 K317Y242-I278 HydrophobicContact CD1-CG2 3.39Å; Y242-I278 HydrophobicContact CD2-CG2 3.83Å; Y242-I278 HydrophobicContact CE1-CG2 3.65Å; Y242-I278 HydrophobicContact CE2-CG2 4.03Å; Y242-I278 HydrophobicContact CG-CG2 3.54Å; L246-I278 HydrophobicContact CD2-CG2 4.37Å; F249-I278 HydrophobicContact CE2-CD1 4.31Å; A274-I278 VanDerWaalsContact O-CG1 3.3Å; A274-I278 WeakPolarHBondContact O-CG1 3.39Å; A274-I278 PolarHBondContact O-N 3.44Å; M275-I278 PolarHBondContact O-N 3.03Å; I278-L280 PolarHBondContact O-N 3.31Å; I278-L281 PolarHBondContact O-N 2.96Å; I278-G282 PolarHBondContact O-N 3.42Å; I278-I310 HydrophobicContact CG1-CG2 4.32Å; I278-P313 HydrophobicContact CD1-CB 4.31Å; I278-P313 HydrophobicContact CG1-CB 3.95Å; I278-P313 HydrophobicContact CG1-CG 3.78Å; I278-K317 HydrophobicContact CD1-CD 4.09Å
279G98Very high98Very high6 Ų637 Ų376%0.06219%0.19CC..Hα-helixtrans-59.2-4517800000112.8L192 M275 L276 G282L192-G279 WeakPolarHBondContact CD2-O 3.28Å; M275-G279 PolarHBondContact O-N 3.27Å; L276-G279 PolarHBondContact O-N 2.97Å; G279-G282 PolarHBondContact O-N 2.89Å
280L98.1Very high98.1Very high126 Ų12632.8 Ų32.866%0.6617%0.168SC*.Hα-helixtrans-66.7-48.3177.1-179.566.2000112.1L276 A277 I278 G282 F283L276-L280 PolarHBondContact O-N 3.28Å; A277-L280 PolarHBondContact O-N 3.47Å; I278-L280 PolarHBondContact O-N 3.31Å; L280-G282 PolarHBondContact O-N 2.84Å; L280-F283 PolarHBondContact O-N 2.93Å
281L97.6Very high98.1Very high26 Ų2631.7 Ų31.714%0.13616%0.155CC..Hα-helixtrans-59.7-30.5179.9-74.9162.9000111.4A277 I278 F283 I284 V285 I309 I310 P313A277-L281 VanDerWaalsContact O-CB 3.26Å; A277-L281 WeakPolarHBondContact O-CB 3.5Å; A277-L281 WeakPolarHBondContact O-CD1 3.22Å; A277-L281 WeakPolarHBondContact O-CG 3.31Å; A277-L281 PolarHBondContact O-N 3.4Å; I278-L281 PolarHBondContact O-N 2.96Å; L281-F283 PolarHBondContact O-N 3.49Å; L281-F283 VanDerWaalsContact O-N 3.15Å; L281-I284 HydrophobicContact CD2-CD1 4.04Å; L281-I284 HydrophobicContact CD2-CG1 4.35Å; L281-I284 WeakPolarHBondContact O-CG1 3.47Å; L281-I284 PolarHBondContact O-N 3.06Å; L281-V285 WeakPolarHBondContact O-CG2 3.36Å; L281-I309 HydrophobicContact CD1-CG2 4.18Å; L281-I309 HydrophobicContact CD2-CG2 4.41Å; L281-I310 HydrophobicContact CB-CD1 3.87Å; L281-I310 HydrophobicContact CB-CG1 3.73Å; L281-I310 HydrophobicContact CD1-CG1 3.81Å; L281-I310 HydrophobicContact CG-CG1 4.23Å; L281-P313 HydrophobicContact CD1-CG 4.31Å
282G96.2Very high98Very high0 Ų035.1 Ų35.10%018%0.176CC..THydrogen-bonded Turntrans-57.9-27.6178.600000115.1H238 P239 I278 G279 L280H238-G282 PolarHBondContact CD2-O 2.81Å; P239-G282 VanDerWaalsContact CD-O 3.3Å; P239-G282 WeakPolarHBondContact CD-O 3.35Å; P239-G282 WeakPolarHBondContact CG-O 3.48Å; I278-G282 PolarHBondContact O-N 3.42Å; G279-G282 PolarHBondContact O-N 2.89Å; L280-G282 PolarHBondContact O-N 2.84Å
283F98.3Very high97.8Very high34 Ų3437 Ų3715%0.14919%0.188CC..THydrogen-bonded Turntrans-84.6-7.5177.4-72.8-69000114.6L192 L195 F235 P239 L280 L281 W286L192-F283 HydrophobicContact CD2-CD2 4.22Å; L192-F283 HydrophobicContact CD2-CE2 3.47Å; L192-F283 VanDerWaalsContact CD2-CE2 3.47Å; L192-F283 HydrophobicContact CD2-CZ 3.9Å; L195-F283 HydrophobicContact CB-CE1 4.16Å; L195-F283 HydrophobicContact CB-CE2 4.42Å; L195-F283 HydrophobicContact CB-CZ 3.65Å; L195-F283 HydrophobicContact CD1-CE2 4.22Å; L195-F283 HydrophobicContact CD1-CZ 4.26Å; F235-F283 AromaticContact CE1-CD1 3.8Å; F235-F283 HydrophobicContact CE1-CD1 3.8Å; F235-F283 HydrophobicContact CE1-CE1 4.07Å; F235-F283 HydrophobicContact CE2-CD1 4.32Å; F235-F283 AromaticContact CZ-CD1 3.63Å; F235-F283 HydrophobicContact CZ-CD1 3.63Å; F235-F283 HydrophobicContact CZ-CE1 4.29Å; P239-F283 HydrophobicContact CB-CE1 4.23Å; P239-F283 HydrophobicContact CB-CZ 4.42Å; P239-F283 HydrophobicContact CG-CD1 3.72Å; P239-F283 HydrophobicContact CG-CE1 3.71Å; P239-F283 HydrophobicContact CG-CG 4.32Å; P239-F283 HydrophobicContact CG-CZ 4.3Å; L280-F283 PolarHBondContact O-N 2.93Å; L281-F283 PolarHBondContact O-N 3.49Å; L281-F283 VanDerWaalsContact O-N 3.15Å; F283-W286 VanDerWaalsContact O-CE3 3.26Å; F283-W286 WeakPolarHBondContact O-CZ3 3.33Å
284I97.9Very high97.7Very high68 Ų6833.2 Ų33.235%0.34920%0.195SC..SBendtrans-120.713.4-171.964.1162000114.6L281 Y302L281-I284 HydrophobicContact CD2-CD1 4.04Å; L281-I284 HydrophobicContact CD2-CG1 4.35Å; L281-I284 WeakPolarHBondContact O-CG1 3.47Å; L281-I284 PolarHBondContact O-N 3.06Å; I284-Y302 PolarHBondContact O-OH 3.18Å
285V98.4Very high97.5Very high0 Ų034.3 Ų34.30%020%0.2CC..  trans-128.46-175.1-59.20000115.3H238 L281 A287 H288 A306 I310H238-V285 WeakPolarHBondContact CD2-CG2 3.49Å; H238-V285 WeakPolarHBondContact NE2-CG2 3.26Å; L281-V285 WeakPolarHBondContact O-CG2 3.36Å; V285-A287 VanDerWaalsContact C-N 3.29Å; V285-A287 PolarHBondContact O-N 3.42Å; V285-A287 VanDerWaalsContact O-N 3.11Å; V285-H288 VanDerWaalsContact O-CG 3.28Å; V285-H288 PolarHBondContact O-N 3.09Å; V285-H288 PolarHBondContact O-ND1 2.93Å; V285-A306 HydrophobicContact CG1-CB 3.84Å; V285-I310 HydrophobicContact CG1-CD1 4.07Å; V285-I310 HydrophobicContact CG2-CD1 3.86Å
286W98.2Very high97.4Very high65 Ų6538.2 Ų38.225%0.24622%0.221CC..G310 helixtrans-57.1-33.5-168.368.798.3000115.8H231 W234 F235 H238 F283 H288 H289 F303H231-W286 AromaticContact ND1-CD1 3.91Å; H231-W286 AromaticContact ND1-NE1 3.24Å; H231-W286 PolarHBondContact ND1-NE1 2.84Å; W234-W286 VanDerWaalsContact C-CB 3.41Å; W234-W286 HydrophobicContact CB-CB 3.97Å; W234-W286 WeakPolarHBondContact O-CB 3.21Å; F235-W286 HydrophobicContact CB-CG 4.42Å; F235-W286 HydrophobicContact CD2-CD2 4.24Å; F235-W286 HydrophobicContact CD2-CE3 4.01Å; F235-W286 HydrophobicContact CD2-CZ3 4.22Å; F235-W286 HydrophobicContact CE2-CZ3 4.48Å; H238-W286 HydrophobicContact CB-CB 4.39Å; F283-W286 VanDerWaalsContact O-CE3 3.26Å; F283-W286 WeakPolarHBondContact O-CZ3 3.33Å; W286-H288 PolarHBondContact O-N 3.19Å; W286-H288 VanDerWaalsContact O-N 3.15Å; W286-H289 PolarHBondContact O-CD2 3.27Å; W286-H289 PolarHBondContact O-N 3.2Å; W286-F303 HydrophobicContact CD2-CE1 4.23Å; W286-F303 HydrophobicContact CD2-CZ 4.38Å; W286-F303 HydrophobicContact CE3-CE1 4.22Å; W286-F303 HydrophobicContact CE3-CZ 4.5Å; W286-F303 HydrophobicContact CH2-CZ 4.29Å; W286-F303 HydrophobicContact CZ2-CZ 4.18Å; W286-F303 HydrophobicContact CZ3-CE1 4.47Å; W286-F303 HydrophobicContact CZ3-CZ 4.46Å
287A98Very high97.3Very high0 Ų039.4 Ų39.40%023%0.231CC..G310 helixtrans-74.3-3.2-172.800000114V285 H289 M290 M295 F303V285-A287 VanDerWaalsContact C-N 3.29Å; V285-A287 PolarHBondContact O-N 3.42Å; V285-A287 VanDerWaalsContact O-N 3.11Å; A287-H289 PolarHBondContact O-N 3Å; A287-M290 HydrophobicContact CB-SD 4.48Å; A287-M290 WeakPolarHBondContact O-CB 3.48Å; A287-M290 PolarHBondContact O-N 3.44Å; A287-M295 HydrophobicContact CB-CE 3.58Å; A287-M295 HydrophobicContact CB-SD 4.08Å; A287-F303 HydrophobicContact CB-CD1 3.81Å; A287-F303 HydrophobicContact CB-CD2 3.63Å; A287-F303 HydrophobicContact CB-CE1 3.65Å; A287-F303 HydrophobicContact CB-CE2 3.45Å; A287-F303 VanDerWaalsContact CB-CE2 3.45Å; A287-F303 HydrophobicContact CB-CG 3.82Å; A287-F303 HydrophobicContact CB-CZ 3.46Å; A287-F303 VanDerWaalsContact CB-CZ 3.46Å
288H98.1Very high97.3Very high20 Ų2043.6 Ų43.69%0.09325%0.248CC..G310 helixtrans-62.2-19.3167.363.7-139.5000113.2H238 V285 W286 M290 F291 T307H238-H288 AromaticContact CE1-CE1 3.09Å; H238-H288 PolarHBondContact CE1-CE1 2.96Å; H238-H288 AromaticContact CE1-NE2 3.4Å; H238-H288 PolarHBondContact CE1-NE2 3.01Å; H238-H288 AromaticContact ND1-CE1 3.03Å; H238-H288 PolarHBondContact ND1-CE1 3.32Å; H238-H288 AromaticContact ND1-NE2 2.93Å; H238-H288 PolarHBondContact ND1-NE2 3.24Å; V285-H288 VanDerWaalsContact O-CG 3.28Å; V285-H288 PolarHBondContact O-N 3.09Å; V285-H288 PolarHBondContact O-ND1 2.93Å; W286-H288 PolarHBondContact O-N 3.19Å; W286-H288 VanDerWaalsContact O-N 3.15Å; H288-M290 PolarHBondContact O-N 3.09Å; H288-F291 HydrophobicContact CB-CD2 4.4Å; H288-F291 HydrophobicContact CB-CE1 4.2Å; H288-F291 HydrophobicContact CB-CE2 3.63Å; H288-F291 HydrophobicContact CB-CZ 3.52Å; H288-F291 VanDerWaalsContact O-CD2 3.23Å; H288-F291 WeakPolarHBondContact O-CD2 3.41Å; H288-T307 WeakPolarHBondContact ND1-CG2 3.38Å; H288-T307 PolarHBondContact ND1-OG1 2.86Å
289H98.1Very high97.2Very high47 Ų4745.8 Ų45.822%0.21826%0.262CS..G310 helixtrans-80.22.5174.5-63.8-66.9000112.8W234 H238 W286 A287 H366W234-H289 HydrophobicContact CB-CB 4.43Å; W234-H289 HydrophobicContact CD2-CB 3.38Å; W234-H289 AromaticContact CD2-CD2 3.54Å; W234-H289 AromaticContact CD2-CG 3.54Å; W234-H289 AromaticContact CE2-CG 3.8Å; W234-H289 HydrophobicContact CE3-CB 3.94Å; W234-H289 AromaticContact CE3-CD2 3.24Å; W234-H289 AromaticContact CE3-CG 3.53Å; W234-H289 AromaticContact CE3-NE2 3.65Å; W234-H289 HydrophobicContact CG-CB 3.61Å; W234-H289 AromaticContact CG-CD2 3.99Å; W234-H289 HydrophobicContact CH2-CB 4.36Å; W234-H289 HydrophobicContact CZ2-CB 3.85Å; W234-H289 HydrophobicContact CZ3-CB 4.39Å; W234-H289 AromaticContact CZ3-CD2 3.78Å; W234-H289 AromaticContact CZ3-CE1 3.9Å; W234-H289 AromaticContact CZ3-CG 3.82Å; W234-H289 AromaticContact CZ3-ND1 3.91Å; W234-H289 AromaticContact CZ3-NE2 3.8Å; H238-H289 AromaticContact ND1-NE2 3.37Å; H238-H289 PolarHBondContact ND1-NE2 3.46Å; W286-H289 PolarHBondContact O-CD2 3.27Å; W286-H289 PolarHBondContact O-N 3.2Å; A287-H289 PolarHBondContact O-N 3Å; H289-H366 PolarHBondContact O-CE1 3.2Å
290M97.6Very high97.2Very high0 Ų048.4 Ų48.40%027%0.27CS..G310 helixtrans-13016.2-169.8-56.717257.700111.9I227 Q230 H231 A287 H288 T292 V293 M295I227-M290 HydrophobicContact CG2-CE 3.76Å; Q230-M290 HydrophobicContact CB-CE 3.5Å; Q230-M290 VanDerWaalsContact CB-CE 3.5Å; Q230-M290 HydrophobicContact CB-CG 4.25Å; Q230-M290 HydrophobicContact CB-SD 3.89Å; H231-M290 HydrophobicContact CB-CE 4.49Å; H231-M290 VanDerWaalsContact CE1-CE 3.45Å; H231-M290 WeakPolarHBondContact CE1-CE 3.48Å; H231-M290 WeakPolarHBondContact ND1-CE 3.5Å; A287-M290 HydrophobicContact CB-SD 4.48Å; A287-M290 WeakPolarHBondContact O-CB 3.48Å; A287-M290 PolarHBondContact O-N 3.44Å; H288-M290 PolarHBondContact O-N 3.09Å; M290-T292 PolarHBondContact O-N 2.84Å; M290-V293 HydrophobicContact CB-CG1 4Å; M290-V293 HydrophobicContact CB-CG2 4.14Å; M290-V293 HydrophobicContact CE-CG2 4.24Å; M290-V293 WeakPolarHBondContact O-CG1 3.44Å; M290-V293 VanDerWaalsContact O-CG2 3.26Å; M290-V293 WeakPolarHBondContact O-CG2 3.3Å; M290-V293 PolarHBondContact O-N 3.12Å; M290-M295 HydrophobicContact CB-SD 4.1Å
291F97.7Very high97.2Very high5 Ų544.7 Ų44.72%0.02226%0.257CS..THydrogen-bonded Turntrans-58.5-22-171.8-73.8-39.6000115.2H288 R300 F303 D362H288-F291 HydrophobicContact CB-CD2 4.4Å; H288-F291 HydrophobicContact CB-CE1 4.2Å; H288-F291 HydrophobicContact CB-CE2 3.63Å; H288-F291 HydrophobicContact CB-CZ 3.52Å; H288-F291 VanDerWaalsContact O-CD2 3.23Å; H288-F291 WeakPolarHBondContact O-CD2 3.41Å; F291-R300 HydrophobicContact CD1-CB 4.47Å; F291-R300 HydrophobicContact CD1-CG 3.97Å; F291-R300 HydrophobicContact CE1-CG 4.45Å; F291-F303 HydrophobicContact CE1-CB 3.89Å; F291-F303 HydrophobicContact CZ-CB 4.27Å; F291-D362 HydrophobicContact CD2-CB 3.82Å; F291-D362 WeakPolarHBondContact CD2-OD2 3.35Å; F291-D362 HydrophobicContact CE2-CB 4.5Å
292T96.1Very high97.2Very high72 Ų7249 Ų4944%0.44227%0.272SS..THydrogen-bonded Turntrans-95.63-179.256.60000114.3M290 G294 H366M290-T292 PolarHBondContact O-N 2.84Å; T292-G294 PolarHBondContact O-N 2.65Å; T292-H366 HydrophobicContact CG2-CB 3.52Å; T292-H366 PolarHBondContact OG1-CD2 3.41Å; T292-H366 PolarHBondContact OG1-NE2 3.22Å
293V95.7Very high97.3Very high46 Ų4649.6 Ų49.628%0.27928%0.275SS..SBendtrans-79.51.7179.5-49.90000114.3I227 M290 M295I227-V293 HydrophobicContact CD1-CB 3.85Å; I227-V293 HydrophobicContact CD1-CG1 4.02Å; I227-V293 HydrophobicContact CG2-CG2 4.11Å; M290-V293 HydrophobicContact CB-CG1 4Å; M290-V293 HydrophobicContact CB-CG2 4.14Å; M290-V293 HydrophobicContact CE-CG2 4.24Å; M290-V293 WeakPolarHBondContact O-CG1 3.44Å; M290-V293 VanDerWaalsContact O-CG2 3.26Å; M290-V293 WeakPolarHBondContact O-CG2 3.3Å; M290-V293 PolarHBondContact O-N 3.12Å; V293-M295 HydrophobicContact CG2-CG 3.8Å; V293-M295 HydrophobicContact CG2-SD 4.4Å
294G95.2Very high97.3Very high73 Ų7348.8 Ų48.875%0.75327%0.273SS*.  trans92.625.3-177.800000114.6T292T292-G294 PolarHBondContact O-N 2.65Å
295M94.6Very high97.3Very high25 Ų2548.9 Ų48.912%0.12328%0.28CS..  trans-60.6144172.1-64.6170.868.800111.5A287 M290 V293 T299 R300 F303A287-M295 HydrophobicContact CB-CE 3.58Å; A287-M295 HydrophobicContact CB-SD 4.08Å; M290-M295 HydrophobicContact CB-SD 4.1Å; V293-M295 HydrophobicContact CG2-CG 3.8Å; V293-M295 HydrophobicContact CG2-SD 4.4Å; M295-T299 HydrophobicContact CE-CG2 3.23Å; M295-R300 HydrophobicContact CB-CG 3.94Å; M295-R300 PolarHBondContact O-NE 3.38Å; M295-F303 HydrophobicContact CE-CD2 3.89Å; M295-F303 HydrophobicContact CE-CE2 4.19Å
296D96.4Very high97.3Very high84 Ų8449.3 Ų49.345%0.44928%0.283SS..  trans-64.3168.1175.768.988000112.2D298 T299 R300D296-D298 WeakPolarHBondContact OD1-CB 3.32Å; D296-D298 PolarHBondContact OD1-N 2.98Å; D296-T299 VanDerWaalsContact CG-OG1 3.26Å; D296-T299 PolarHBondContact OD1-N 3.32Å; D296-T299 PolarHBondContact OD1-OG1 3.41Å; D296-T299 VanDerWaalsContact OD2-CB 3.28Å; D296-T299 WeakPolarHBondContact OD2-CB 3.49Å; D296-T299 PolarHBondContact OD2-OG1 3.26Å; D296-R300 WeakPolarHBondContact O-CG 3.04Å; D296-R300 PolarHBondContact O-N 3.1Å; D296-R300 VanDerWaalsContact O-N 3.15Å; D296-R300 PolarHBondContact O-NE 3.09Å
297V96.2Very high97.3Very high93 Ų9347 Ų4756%0.56428%0.276SS*.Hα-helixtrans-67.9-36.2-175.4660000113R300 A301V297-R300 PolarHBondContact O-N 3.41Å; V297-A301 WeakPolarHBondContact O-CB 3.31Å; V297-A301 PolarHBondContact O-N 3.13Å
298D97.7Very high97.3Very high124 Ų12449.8 Ų49.866%0.66329%0.29SS*.Hα-helixtrans-72.1-43.6-176.1-66.2-27.3000110.1D296 R300 A301 Y302D296-D298 WeakPolarHBondContact OD1-CB 3.32Å; D296-D298 PolarHBondContact OD1-N 2.98Å; D298-R300 VanDerWaalsContact C-N 3.34Å; D298-R300 PolarHBondContact O-N 2.78Å; D298-A301 PolarHBondContact O-N 2.98Å; D298-Y302 PolarHBondContact O-N 3.03Å
299T97.2Very high97.3Very high48 Ų4853.2 Ų53.229%0.29431%0.308SS..Hα-helixtrans-62.1-42.7175-53.90000110.7M295 D296 A301 Y302 F303M295-T299 HydrophobicContact CE-CG2 3.23Å; D296-T299 VanDerWaalsContact CG-OG1 3.26Å; D296-T299 PolarHBondContact OD1-N 3.32Å; D296-T299 PolarHBondContact OD1-OG1 3.41Å; D296-T299 VanDerWaalsContact OD2-CB 3.28Å; D296-T299 WeakPolarHBondContact OD2-CB 3.49Å; D296-T299 PolarHBondContact OD2-OG1 3.26Å; T299-A301 PolarHBondContact O-N 3.41Å; T299-Y302 PolarHBondContact O-N 3.19Å; T299-F303 HydrophobicContact CG2-CD2 3.8Å; T299-F303 HydrophobicContact CG2-CE2 3.76Å; T299-F303 VanDerWaalsContact O-CD2 3.31Å; T299-F303 WeakPolarHBondContact O-CD2 3.27Å; T299-F303 PolarHBondContact O-N 3.16Å; T299-F303 VanDerWaalsContact O-N 3.08Å
300R97.6Very high97.3Very high60 Ų6051.4 Ų51.423%0.22630%0.3CS..Hα-helixtrans-62.2-40.4174.2-74.4-174.8-67162.21.6112.8F291 M295 D296 V297 D298 T304F291-R300 HydrophobicContact CD1-CB 4.47Å; F291-R300 HydrophobicContact CD1-CG 3.97Å; F291-R300 HydrophobicContact CE1-CG 4.45Å; M295-R300 HydrophobicContact CB-CG 3.94Å; M295-R300 PolarHBondContact O-NE 3.38Å; D296-R300 WeakPolarHBondContact O-CG 3.04Å; D296-R300 PolarHBondContact O-N 3.1Å; D296-R300 VanDerWaalsContact O-N 3.15Å; D296-R300 PolarHBondContact O-NE 3.09Å; V297-R300 PolarHBondContact O-N 3.41Å; D298-R300 VanDerWaalsContact C-N 3.34Å; D298-R300 PolarHBondContact O-N 2.78Å; R300-T304 VanDerWaalsContact O-CB 3.27Å; R300-T304 WeakPolarHBondContact O-CB 3.37Å; R300-T304 PolarHBondContact O-N 3.47Å; R300-T304 PolarHBondContact O-OG1 2.98Å
301A97.9Very high97.3Very high48 Ų4853.5 Ų53.540%0.39732%0.317SS..Hα-helixtrans-65.1-41.2178.100000112.3V297 D298 T299 S305V297-A301 WeakPolarHBondContact O-CB 3.31Å; V297-A301 PolarHBondContact O-N 3.13Å; D298-A301 PolarHBondContact O-N 2.98Å; T299-A301 PolarHBondContact O-N 3.41Å; A301-S305 WeakPolarHBondContact O-CB 3.37Å; A301-S305 PolarHBondContact O-N 3.28Å; A301-S305 PolarHBondContact O-OG 3.14Å
302Y97.9Very high97.3Very high116 Ų11657.9 Ų57.946%0.45534%0.344SS..Hα-helixtrans-59.7-56.2173.7169.8-94.8000111.3I284 D298 T299 T304 S305 A306I284-Y302 PolarHBondContact O-OH 3.18Å; D298-Y302 PolarHBondContact O-N 3.03Å; T299-Y302 PolarHBondContact O-N 3.19Å; Y302-T304 VanDerWaalsContact C-N 3.28Å; Y302-T304 PolarHBondContact O-N 3.05Å; Y302-S305 PolarHBondContact O-N 3.4Å; Y302-S305 VanDerWaalsContact O-N 3.13Å; Y302-A306 HydrophobicContact CE1-CB 4.38Å; Y302-A306 WeakPolarHBondContact O-CB 3.45Å; Y302-A306 PolarHBondContact O-N 3.2Å
303F98.2Very high97.4Very high14 Ų1454.9 Ų54.96%0.06133%0.326CS..Hα-helixtrans-65.7-31.6-176.9-81.4-76.5000112.3W286 A287 F291 M295 T299 T307W286-F303 HydrophobicContact CD2-CE1 4.23Å; W286-F303 HydrophobicContact CD2-CZ 4.38Å; W286-F303 HydrophobicContact CE3-CE1 4.22Å; W286-F303 HydrophobicContact CE3-CZ 4.5Å; W286-F303 HydrophobicContact CH2-CZ 4.29Å; W286-F303 HydrophobicContact CZ2-CZ 4.18Å; W286-F303 HydrophobicContact CZ3-CE1 4.47Å; W286-F303 HydrophobicContact CZ3-CZ 4.46Å; A287-F303 HydrophobicContact CB-CD1 3.81Å; A287-F303 HydrophobicContact CB-CD2 3.63Å; A287-F303 HydrophobicContact CB-CE1 3.65Å; A287-F303 HydrophobicContact CB-CE2 3.45Å; A287-F303 VanDerWaalsContact CB-CE2 3.45Å; A287-F303 HydrophobicContact CB-CG 3.82Å; A287-F303 HydrophobicContact CB-CZ 3.46Å; A287-F303 VanDerWaalsContact CB-CZ 3.46Å; F291-F303 HydrophobicContact CE1-CB 3.89Å; F291-F303 HydrophobicContact CZ-CB 4.27Å; M295-F303 HydrophobicContact CE-CD2 3.89Å; M295-F303 HydrophobicContact CE-CE2 4.19Å; T299-F303 HydrophobicContact CG2-CD2 3.8Å; T299-F303 HydrophobicContact CG2-CE2 3.76Å; T299-F303 VanDerWaalsContact O-CD2 3.31Å; T299-F303 WeakPolarHBondContact O-CD2 3.27Å; T299-F303 PolarHBondContact O-N 3.16Å; T299-F303 VanDerWaalsContact O-N 3.08Å; F303-T307 WeakPolarHBondContact O-CB 3.19Å; F303-T307 PolarHBondContact O-N 3.08Å; F303-T307 VanDerWaalsContact O-N 3.11Å; F303-T307 PolarHBondContact O-OG1 3.27Å
304T98.5Very high97.5Very high16 Ų1654 Ų5410%0.09832%0.32CS..Hα-helixtrans-59.3-54.1170.4-62.90000110.8R300 Y302 T307 M308 A357 S359R300-T304 VanDerWaalsContact O-CB 3.27Å; R300-T304 WeakPolarHBondContact O-CB 3.37Å; R300-T304 PolarHBondContact O-N 3.47Å; R300-T304 PolarHBondContact O-OG1 2.98Å; Y302-T304 VanDerWaalsContact C-N 3.28Å; Y302-T304 PolarHBondContact O-N 3.05Å; T304-T307 PolarHBondContact O-N 3.18Å; T304-M308 HydrophobicContact CG2-CE 3.72Å; T304-M308 HydrophobicContact CG2-SD 4.12Å; T304-M308 WeakPolarHBondContact O-CG 3.33Å; T304-M308 PolarHBondContact O-N 3.41Å; T304-A357 VanDerWaalsContact CA-O 3.3Å; T304-A357 WeakPolarHBondContact CA-O 3.46Å; T304-A357 WeakPolarHBondContact CG2-O 3.26Å; T304-A357 PolarHBondContact OG1-O 3.24Å; T304-S359 WeakPolarHBondContact OG1-CB 3.28Å; T304-S359 PolarHBondContact OG1-N 3.39Å; T304-S359 PolarHBondContact OG1-OG 2.87Å
305S97.9Very high97.7Very high71 Ų7152.2 Ų52.250%0.49730%0.302SS..Hα-helixtrans-65.7-48.2-175.5-55.20000112A301 Y302 T307 M308 I309A301-S305 WeakPolarHBondContact O-CB 3.37Å; A301-S305 PolarHBondContact O-N 3.28Å; A301-S305 PolarHBondContact O-OG 3.14Å; Y302-S305 PolarHBondContact O-N 3.4Å; Y302-S305 VanDerWaalsContact O-N 3.13Å; S305-T307 VanDerWaalsContact C-N 3.32Å; S305-T307 PolarHBondContact O-N 3.28Å; S305-M308 PolarHBondContact O-N 3.16Å; S305-I309 WeakPolarHBondContact O-CG1 3.22Å; S305-I309 PolarHBondContact O-N 3.17Å; S305-I309 VanDerWaalsContact O-N 3.11Å
306A98.2Very high97.9Very high8 Ų854.4 Ų54.47%0.06631%0.314CS..Hα-helixtrans-62-39.2-179.400000112.1V285 Y302 I309V285-A306 HydrophobicContact CG1-CB 3.84Å; Y302-A306 HydrophobicContact CE1-CB 4.38Å; Y302-A306 WeakPolarHBondContact O-CB 3.45Å; Y302-A306 PolarHBondContact O-N 3.2Å; A306-I309 PolarHBondContact O-N 3.05Å
307T98.2Very high97.9Very high16 Ų1650.4 Ų50.410%0.09829%0.293CS..Hα-helixtrans-67.6-45.1176.7-54.60000111.6H288 F303 T304 S305 I309 I310 A357H288-T307 WeakPolarHBondContact ND1-CG2 3.38Å; H288-T307 PolarHBondContact ND1-OG1 2.86Å; F303-T307 WeakPolarHBondContact O-CB 3.19Å; F303-T307 PolarHBondContact O-N 3.08Å; F303-T307 VanDerWaalsContact O-N 3.11Å; F303-T307 PolarHBondContact O-OG1 3.27Å; T304-T307 PolarHBondContact O-N 3.18Å; S305-T307 VanDerWaalsContact C-N 3.32Å; S305-T307 PolarHBondContact O-N 3.28Å; T307-I309 PolarHBondContact O-N 2.95Å; T307-I310 VanDerWaalsContact O-CB 3.29Å; T307-I310 WeakPolarHBondContact O-CB 3.42Å; T307-I310 WeakPolarHBondContact O-CG1 3.26Å; T307-I310 PolarHBondContact O-N 3.3Å; T307-I310 VanDerWaalsContact O-N 3.07Å; T307-A357 HydrophobicContact CG2-CB 3.53Å
308M98.2Very high98Very high59 Ų5947 Ų4729%0.29127%0.271SS..Hα-helixtrans-62.1-31179.2-73-178.8-178.900112.7T304 S305 I310 A311 V354 A357 N358T304-M308 HydrophobicContact CG2-CE 3.72Å; T304-M308 HydrophobicContact CG2-SD 4.12Å; T304-M308 WeakPolarHBondContact O-CG 3.33Å; T304-M308 PolarHBondContact O-N 3.41Å; S305-M308 PolarHBondContact O-N 3.16Å; M308-I310 PolarHBondContact O-N 3.33Å; M308-A311 VanDerWaalsContact O-CB 3.22Å; M308-A311 WeakPolarHBondContact O-CB 3.5Å; M308-A311 PolarHBondContact O-N 3.42Å; M308-V354 HydrophobicContact CG-CG1 4.47Å; M308-A357 HydrophobicContact CE-CB 4.33Å; M308-A357 HydrophobicContact CG-CB 3.81Å; M308-N358 HydrophobicContact CE-CB 3.55Å
309I98Very high98Very high93 Ų9347.2 Ų47.248%0.47727%0.266SS..Hα-helixtrans-57.8-29.3175.5-72.8167.1000111.8L281 S305 A306 T307 A311 V312 P313L281-I309 HydrophobicContact CD1-CG2 4.18Å; L281-I309 HydrophobicContact CD2-CG2 4.41Å; S305-I309 WeakPolarHBondContact O-CG1 3.22Å; S305-I309 PolarHBondContact O-N 3.17Å; S305-I309 VanDerWaalsContact O-N 3.11Å; A306-I309 PolarHBondContact O-N 3.05Å; T307-I309 PolarHBondContact O-N 2.95Å; I309-A311 PolarHBondContact O-N 2.99Å; I309-A311 VanDerWaalsContact O-N 3.16Å; I309-V312 WeakPolarHBondContact O-CB 3.15Å; I309-V312 PolarHBondContact O-N 2.93Å; I309-P313 WeakPolarHBondContact O-CD 3.32Å
310I98.1Very high98.1Very high9 Ų945.1 Ų45.15%0.04625%0.253CS..THydrogen-bonded Turntrans-62.3-23.6178.4-58.5178.3000112.2Y242 I278 L281 V285 T307 M308 V312 P313 T314Y242-I310 HydrophobicContact CE1-CG2 4.44Å; Y242-I310 HydrophobicContact CE2-CD1 4.32Å; Y242-I310 WeakPolarHBondContact OH-CD1 3.42Å; I278-I310 HydrophobicContact CG1-CG2 4.32Å; L281-I310 HydrophobicContact CB-CD1 3.87Å; L281-I310 HydrophobicContact CB-CG1 3.73Å; L281-I310 HydrophobicContact CD1-CG1 3.81Å; L281-I310 HydrophobicContact CG-CG1 4.23Å; V285-I310 HydrophobicContact CG1-CD1 4.07Å; V285-I310 HydrophobicContact CG2-CD1 3.86Å; T307-I310 VanDerWaalsContact O-CB 3.29Å; T307-I310 WeakPolarHBondContact O-CB 3.42Å; T307-I310 WeakPolarHBondContact O-CG1 3.26Å; T307-I310 PolarHBondContact O-N 3.3Å; T307-I310 VanDerWaalsContact O-N 3.07Å; M308-I310 PolarHBondContact O-N 3.33Å; I310-V312 PolarHBondContact O-N 3Å; I310-P313 VanDerWaalsContact O-CD 3.26Å; I310-P313 WeakPolarHBondContact O-CD 3.46Å; I310-P313 WeakPolarHBondContact O-CG 3.3Å; I310-T314 WeakPolarHBondContact O-CB 3.28Å; I310-T314 PolarHBondContact O-N 3.29Å; I310-T314 PolarHBondContact O-OG1 3.45Å
311A98Very high98.2Very high44 Ų4442.2 Ų42.236%0.36424%0.243SC..Hα-helixtrans-61.2-28173.700000112.4M308 I309 G315 V354M308-A311 VanDerWaalsContact O-CB 3.22Å; M308-A311 WeakPolarHBondContact O-CB 3.5Å; M308-A311 PolarHBondContact O-N 3.42Å; I309-A311 PolarHBondContact O-N 2.99Å; I309-A311 VanDerWaalsContact O-N 3.16Å; A311-G315 PolarHBondContact O-N 3.39Å; A311-V354 HydrophobicContact CB-CG2 3.85Å
312V98.2Very high98.2Very high96 Ų9644.4 Ų44.458%0.58225%0.247SC*.Hα-helixtrans-66.7-60.4179.6179.70000112.3I309 I310 T314 G315 I316I309-V312 WeakPolarHBondContact O-CB 3.15Å; I309-V312 PolarHBondContact O-N 2.93Å; I310-V312 PolarHBondContact O-N 3Å; V312-T314 PolarHBondContact O-N 3.34Å; V312-G315 PolarHBondContact O-N 2.84Å; V312-G315 VanDerWaalsContact O-N 3.08Å; V312-I316 WeakPolarHBondContact O-CG1 3.5Å; V312-I316 PolarHBondContact O-N 3.47Å
313P98.4Very high98.2Very high10 Ų1039.9 Ų39.97%0.06523%0.233CC..Hα-helixtrans-62.6-30.8177.125.2-34.1000112.3A274 A277 I278 L281 I309 I310 I316 K317A274-P313 HydrophobicContact CB-CB 3.9Å; A274-P313 WeakPolarHBondContact CB-O 3.48Å; A277-P313 HydrophobicContact CB-CB 4.11Å; A277-P313 HydrophobicContact CB-CG 4.3Å; I278-P313 HydrophobicContact CD1-CB 4.31Å; I278-P313 HydrophobicContact CG1-CB 3.95Å; I278-P313 HydrophobicContact CG1-CG 3.78Å; L281-P313 HydrophobicContact CD1-CG 4.31Å; I309-P313 WeakPolarHBondContact O-CD 3.32Å; I310-P313 VanDerWaalsContact O-CD 3.26Å; I310-P313 WeakPolarHBondContact O-CD 3.46Å; I310-P313 WeakPolarHBondContact O-CG 3.3Å; P313-I316 PolarHBondContact O-N 3.3Å; P313-K317 WeakPolarHBondContact O-CG 3.29Å; P313-K317 PolarHBondContact O-N 2.79Å
314T97.8Very high98.2Very high26 Ų2639.2 Ų39.216%0.1623%0.231CC..Hα-helixtrans-63.2-45.2172.5-56.30000111.4I310 V312 I316 K317 I318 F346I310-T314 WeakPolarHBondContact O-CB 3.28Å; I310-T314 PolarHBondContact O-N 3.29Å; I310-T314 PolarHBondContact O-OG1 3.45Å; V312-T314 PolarHBondContact O-N 3.34Å; T314-I316 PolarHBondContact O-N 2.93Å; T314-K317 WeakPolarHBondContact O-CB 3.36Å; T314-K317 PolarHBondContact O-N 3.3Å; T314-K317 VanDerWaalsContact O-N 3.13Å; T314-I318 PolarHBondContact O-N 2.99Å; T314-I318 VanDerWaalsContact O-N 3.14Å; T314-F346 HydrophobicContact CG2-CE1 3.7Å; T314-F346 HydrophobicContact CG2-CZ 4.27Å
315G97.9Very high98.1Very high36 Ų3639.4 Ų39.437%0.37123%0.231SC..Hα-helixtrans-62.4-38.8176.800000113.4A311 V312 K317 I318 F319A311-G315 PolarHBondContact O-N 3.39Å; V312-G315 PolarHBondContact O-N 2.84Å; V312-G315 VanDerWaalsContact O-N 3.08Å; G315-K317 PolarHBondContact O-N 2.92Å; G315-I318 PolarHBondContact O-N 3.17Å; G315-F319 WeakPolarHBondContact O-CB 3.25Å; G315-F319 PolarHBondContact O-N 2.91Å
316I98.3Very high98Very high72 Ų7243.2 Ų43.237%0.36924%0.24SC..Hα-helixtrans-53.7-44.7172.3-67.8172.8000110A274 V312 P313 T314 F319 S320A274-I316 HydrophobicContact CB-CB 4.35Å; A274-I316 HydrophobicContact CB-CG2 4.25Å; V312-I316 WeakPolarHBondContact O-CG1 3.5Å; V312-I316 PolarHBondContact O-N 3.47Å; P313-I316 PolarHBondContact O-N 3.3Å; T314-I316 PolarHBondContact O-N 2.93Å; I316-F319 PolarHBondContact O-N 3.23Å; I316-S320 WeakPolarHBondContact O-CB 3.46Å; I316-S320 PolarHBondContact O-N 3Å; I316-S320 PolarHBondContact O-OG 3.35Å; I316-S320 VanDerWaalsContact O-OG 3.1Å
317K98.1Very high97.9Very high0 Ų046.4 Ų46.40%027%0.274CS..Hα-helixtrans-69.1-42.4-178-64.3170.953.2-90.40112.8F249 M271 A274 M275 I278 P313 T314 G315 F319 S320 W321F249-K317 HydrophobicContact CD2-CD 4.31Å; F249-K317 VanDerWaalsContact CE1-NZ 3.27Å; M271-K317 HydrophobicContact CE-CB 4.12Å; M271-K317 HydrophobicContact CE-CG 4.07Å; M271-K317 VanDerWaalsContact SD-CA 3.56Å; M271-K317 HydrophobicContact SD-CB 3.83Å; M271-K317 HydrophobicContact SD-CG 3.67Å; A274-K317 HydrophobicContact CB-CD 3.92Å; A274-K317 HydrophobicContact CB-CG 3.77Å; M275-K317 HydrophobicContact CG-CD 4.17Å; I278-K317 HydrophobicContact CD1-CD 4.09Å; P313-K317 WeakPolarHBondContact O-CG 3.29Å; P313-K317 PolarHBondContact O-N 2.79Å; T314-K317 WeakPolarHBondContact O-CB 3.36Å; T314-K317 PolarHBondContact O-N 3.3Å; T314-K317 VanDerWaalsContact O-N 3.13Å; G315-K317 PolarHBondContact O-N 2.92Å; K317-F319 VanDerWaalsContact C-N 3.33Å; K317-F319 PolarHBondContact O-N 3.45Å; K317-S320 PolarHBondContact O-N 2.8Å; K317-W321 HydrophobicContact CB-CH2 4.27Å; K317-W321 HydrophobicContact CB-CZ3 4.36Å; K317-W321 VanDerWaalsContact O-CD2 3.29Å; K317-W321 PolarHBondContact O-N 3.42Å
318I98.2Very high97.6Very high22 Ų2247.3 Ų47.311%0.11328%0.28CS..Hα-helixtrans-59.2-47.5174-62.2-64.8000110.4T314 G315 S320 W321 L322 V343 F346 T347T314-I318 PolarHBondContact O-N 2.99Å; T314-I318 VanDerWaalsContact O-N 3.14Å; G315-I318 PolarHBondContact O-N 3.17Å; I318-S320 PolarHBondContact O-N 3.12Å; I318-W321 HydrophobicContact CD1-CE3 3.84Å; I318-W321 HydrophobicContact CD1-CZ3 3.67Å; I318-W321 PolarHBondContact O-N 2.99Å; I318-L322 HydrophobicContact CG2-CD1 4.05Å; I318-L322 WeakPolarHBondContact O-CG 3.08Å; I318-L322 PolarHBondContact O-N 3.29Å; I318-V343 HydrophobicContact CD1-CG1 4.29Å; I318-V343 HydrophobicContact CG2-CG1 4.34Å; I318-F346 HydrophobicContact CD1-CD1 4.16Å; I318-T347 WeakPolarHBondContact CD1-OG1 3.1Å
319F98.2Very high97.3Very high127 Ų12753.8 Ų53.856%0.55731%0.309SS*.Hα-helixtrans-60.2-45.9177178-97.2000111.9F266 G315 I316 K317 W321 L322 A323F266-F319 HydrophobicContact CD1-CE1 4.35Å; F266-F319 HydrophobicContact CE1-CD1 4.33Å; F266-F319 AromaticContact CE1-CE1 3.74Å; F266-F319 HydrophobicContact CE1-CE1 3.74Å; F266-F319 HydrophobicContact CZ-CE1 4.45Å; G315-F319 WeakPolarHBondContact O-CB 3.25Å; G315-F319 PolarHBondContact O-N 2.91Å; I316-F319 PolarHBondContact O-N 3.23Å; K317-F319 VanDerWaalsContact C-N 3.33Å; K317-F319 PolarHBondContact O-N 3.45Å; F319-W321 VanDerWaalsContact C-N 3.32Å; F319-W321 PolarHBondContact O-N 3.16Å; F319-L322 PolarHBondContact O-N 3.17Å; F319-A323 HydrophobicContact CE1-CB 4.28Å; F319-A323 HydrophobicContact CZ-CB 4.46Å; F319-A323 VanDerWaalsContact O-CB 3.31Å; F319-A323 WeakPolarHBondContact O-CB 3.35Å; F319-A323 PolarHBondContact O-N 3.4Å
320S98.6Very high97Very high4 Ų451.5 Ų51.53%0.02830%0.298CS..Hα-helixtrans-58.6-41.4177.8-72.80000112.7F266 M271 I316 K317 I318 T324F266-S320 VanDerWaalsContact O-CB 3.22Å; F266-S320 WeakPolarHBondContact O-CB 3.35Å; F266-S320 PolarHBondContact O-OG 2.98Å; M271-S320 WeakPolarHBondContact SD-CB 3.49Å; I316-S320 WeakPolarHBondContact O-CB 3.46Å; I316-S320 PolarHBondContact O-N 3Å; I316-S320 PolarHBondContact O-OG 3.35Å; I316-S320 VanDerWaalsContact O-OG 3.1Å; K317-S320 PolarHBondContact O-N 2.8Å; I318-S320 PolarHBondContact O-N 3.12Å; S320-T324 WeakPolarHBondContact O-CB 3.34Å; S320-T324 PolarHBondContact O-N 3.47Å; S320-T324 PolarHBondContact O-OG1 2.96Å
321W98.5Very high96.5Very high0 Ų055.2 Ų55.20%032%0.324CS..Hα-helixtrans-65-45.7174.3-68.6-37.8000112.5F249 I252 S253 I256 M271 K317 I318 F319 A323 T324 L325 F342 V343F249-W321 HydrophobicContact CB-CH2 4.14Å; F249-W321 HydrophobicContact CB-CZ2 3.93Å; F249-W321 AromaticContact CD1-CH2 3.55Å; F249-W321 HydrophobicContact CD1-CH2 3.55Å; F249-W321 HydrophobicContact CD1-CZ2 4.2Å; F249-W321 HydrophobicContact CE1-CH2 4.14Å; F249-W321 HydrophobicContact CG-CH2 4.09Å; F249-W321 HydrophobicContact CG-CZ2 4.39Å; I252-W321 HydrophobicContact CB-CZ2 4.36Å; I252-W321 HydrophobicContact CG2-CD2 4.15Å; I252-W321 HydrophobicContact CG2-CZ2 4.17Å; S253-W321 PolarHBondContact OG-NE1 3.05Å; I256-W321 HydrophobicContact CD1-CB 3.66Å; I256-W321 HydrophobicContact CD1-CD2 4.49Å; I256-W321 HydrophobicContact CD1-CG 3.72Å; M271-W321 HydrophobicContact CE-CZ2 3.95Å; K317-W321 HydrophobicContact CB-CH2 4.27Å; K317-W321 HydrophobicContact CB-CZ3 4.36Å; K317-W321 VanDerWaalsContact O-CD2 3.29Å; K317-W321 PolarHBondContact O-N 3.42Å; I318-W321 HydrophobicContact CD1-CE3 3.84Å; I318-W321 HydrophobicContact CD1-CZ3 3.67Å; I318-W321 PolarHBondContact O-N 2.99Å; F319-W321 VanDerWaalsContact C-N 3.32Å; F319-W321 PolarHBondContact O-N 3.16Å; W321-A323 PolarHBondContact O-N 3.22Å; W321-T324 WeakPolarHBondContact O-CB 3.45Å; W321-T324 PolarHBondContact O-N 3.21Å; W321-T324 VanDerWaalsContact O-N 3.17Å; W321-L325 WeakPolarHBondContact O-CG 3.33Å; W321-L325 PolarHBondContact O-N 3.23Å; W321-F342 HydrophobicContact CE3-CE1 4.42Å; W321-F342 AromaticContact CH2-CE1 3.64Å; W321-F342 HydrophobicContact CH2-CE1 3.64Å; W321-F342 HydrophobicContact CH2-CZ 4.24Å; W321-F342 HydrophobicContact CZ2-CE1 4.45Å; W321-F342 HydrophobicContact CZ3-CD1 4.48Å; W321-F342 AromaticContact CZ3-CE1 3.63Å; W321-F342 HydrophobicContact CZ3-CE1 3.63Å; W321-V343 HydrophobicContact CB-CG2 4.29Å; W321-V343 HydrophobicContact CD2-CG2 4.34Å; W321-V343 HydrophobicContact CE3-CG2 3.89Å
322L98Very high96.4Very high93 Ų9359.7 Ų59.749%0.48733%0.333SS..Hα-helixtrans-63.7-41.3177.7-66.1175.5000112.2I318 F319 T324 L325 H326 V343I318-L322 HydrophobicContact CG2-CD1 4.05Å; I318-L322 WeakPolarHBondContact O-CG 3.08Å; I318-L322 PolarHBondContact O-N 3.29Å; F319-L322 PolarHBondContact O-N 3.17Å; L322-T324 VanDerWaalsContact C-N 3.29Å; L322-T324 PolarHBondContact O-N 3.04Å; L322-L325 PolarHBondContact O-N 3.49Å; L322-H326 PolarHBondContact O-N 2.99Å; L322-V343 HydrophobicContact CD2-CG1 4.25Å
323A98.2Very high96.3Very high21 Ų2156.2 Ų56.217%0.17431%0.313CS..Hα-helixtrans-65.3-33.2174.400000112K262 F266 F319 W321 H326K262-A323 PolarHBondContact NZ-O 3.04Å; F266-A323 HydrophobicContact CB-CB 3.97Å; F266-A323 HydrophobicContact CD1-CB 3.67Å; F266-A323 HydrophobicContact CD2-CB 4.3Å; F266-A323 HydrophobicContact CE1-CB 4.26Å; F266-A323 HydrophobicContact CG-CB 3.7Å; F319-A323 HydrophobicContact CE1-CB 4.28Å; F319-A323 HydrophobicContact CZ-CB 4.46Å; F319-A323 VanDerWaalsContact O-CB 3.31Å; F319-A323 WeakPolarHBondContact O-CB 3.35Å; F319-A323 PolarHBondContact O-N 3.4Å; W321-A323 PolarHBondContact O-N 3.22Å; A323-H326 WeakPolarHBondContact O-CB 3.41Å; A323-H326 PolarHBondContact O-N 2.97Å
324T97.9Very high96.2Very high0 Ų055.9 Ų55.90%031%0.311CS..Hα-helixtrans-67.1-37.2172.6-52.90000111.3I256 S260 K262 T265 F266 S320 W321 L322 H326I256-T324 HydrophobicContact CG2-CG2 3.72Å; S260-T324 PolarHBondContact OG-O 3Å; K262-T324 HydrophobicContact CB-CG2 4.5Å; K262-T324 HydrophobicContact CD-CG2 4.05Å; K262-T324 VanDerWaalsContact CD-O 3.23Å; K262-T324 WeakPolarHBondContact CD-O 3.44Å; K262-T324 WeakPolarHBondContact CE-O 3.19Å; K262-T324 PolarHBondContact NZ-O 3.45Å; T265-T324 WeakPolarHBondContact CG2-OG1 3.46Å; F266-T324 WeakPolarHBondContact CB-OG1 3.42Å; F266-T324 PolarHBondContact N-OG1 3.32Å; S320-T324 WeakPolarHBondContact O-CB 3.34Å; S320-T324 PolarHBondContact O-N 3.47Å; S320-T324 PolarHBondContact O-OG1 2.96Å; W321-T324 WeakPolarHBondContact O-CB 3.45Å; W321-T324 PolarHBondContact O-N 3.21Å; W321-T324 VanDerWaalsContact O-N 3.17Å; L322-T324 VanDerWaalsContact C-N 3.29Å; L322-T324 PolarHBondContact O-N 3.04Å; T324-H326 VanDerWaalsContact C-N 3.3Å; T324-H326 PolarHBondContact O-N 3.23Å
325L97.4Very high96.2Very high20 Ų2055 Ų5511%0.10531%0.306CS..Hα-helixtrans-75-18.6174.6-65.7165.6000113.3I256 W321 L322 G327 T328 L330 I336 L340I256-L325 HydrophobicContact CD1-CD1 4.46Å; I256-L325 HydrophobicContact CG2-CD2 3.91Å; I256-L325 HydrophobicContact CG2-CG 3.84Å; W321-L325 WeakPolarHBondContact O-CG 3.33Å; W321-L325 PolarHBondContact O-N 3.23Å; L322-L325 PolarHBondContact O-N 3.49Å; L325-G327 PolarHBondContact O-N 2.99Å; L325-T328 PolarHBondContact O-N 2.95Å; L325-T328 PolarHBondContact O-OG1 2.94Å; L325-L330 HydrophobicContact CD2-CD1 4.43Å; L325-L330 HydrophobicContact CD2-CD2 3.75Å; L325-I336 HydrophobicContact CD2-CD1 3.9Å; L325-L340 HydrophobicContact CD1-CD2 3.65Å
326H96.5Very high96.2Very high151 Ų15153.3 Ų53.370%0.69929%0.288SS*.THydrogen-bonded Turntrans-62131.5-177-176.275.2000112.4K262 L322 A323 T324 T328K262-H326 PolarHBondContact NZ-O 3.46Å; L322-H326 PolarHBondContact O-N 2.99Å; A323-H326 WeakPolarHBondContact O-CB 3.41Å; A323-H326 PolarHBondContact O-N 2.97Å; T324-H326 VanDerWaalsContact C-N 3.3Å; T324-H326 PolarHBondContact O-N 3.23Å; H326-T328 VanDerWaalsContact C-N 3.34Å
327G94.4Very high96.2Very high75 Ų7551.3 Ų51.377%0.77328%0.278SS*.THydrogen-bonded Turntrans78.210176.300000115.3L325L325-G327 PolarHBondContact O-N 2.99Å
328T93.8Very high96.2Very high35 Ų3551.3 Ų51.322%0.21528%0.278CS..  trans-99.4152-177.570.50000111.5S260 L325 H326 L330S260-T328 WeakPolarHBondContact O-CG2 3.28Å; L325-T328 PolarHBondContact O-N 2.95Å; L325-T328 PolarHBondContact O-OG1 2.94Å; H326-T328 VanDerWaalsContact C-N 3.34Å; T328-L330 VanDerWaalsContact OG1-CD2 3.29Å; T328-L330 WeakPolarHBondContact OG1-CD2 3.28Å
329Q91.8Very high96.2Very high195 Ų19550.3 Ų50.391%0.91127%0.273SS*.  trans-93.497.9170.1-68.9-173.1-10.900109S331Q329-S331 PolarHBondContact O-N 2.92Å
330L90.8Very high96.2Very high46 Ų4646.7 Ų46.724%0.24126%0.259CS..  trans-73.4123.6-174.7-61.9177.5000112.1L325 T328 Y332 I336 L340L325-L330 HydrophobicContact CD2-CD1 4.43Å; L325-L330 HydrophobicContact CD2-CD2 3.75Å; T328-L330 VanDerWaalsContact OG1-CD2 3.29Å; T328-L330 WeakPolarHBondContact OG1-CD2 3.28Å; L330-Y332 PolarHBondContact O-N 3.28Å; L330-I336 HydrophobicContact CD2-CG1 4.29Å; L330-L340 HydrophobicContact CD1-CD1 4.48Å
331S88.7Confident96.1Very high86 Ų8646.7 Ų46.760%0.60126%0.26SS*.  trans-84.729.5177.453.20000114.2Q329 S333Q329-S331 PolarHBondContact O-N 2.92Å; S331-S333 PolarHBondContact O-N 3.2Å
332Y94.3Very high96.1Very high139 Ų13946.7 Ų46.755%0.54526%0.26SS..  trans19.251.3180-68.1-74.3000115.4L330 L337 K409L330-Y332 PolarHBondContact O-N 3.28Å; Y332-L337 HydrophobicContact CD1-CD2 3.97Å; Y332-K409 WeakPolarHBondContact O-CE 3.45Å; Y332-K409 PolarHBondContact O-NZ 3.32Å
333S96Very high96.2Very high22 Ų2242.7 Ų42.715%0.15424%0.239CC..  trans-71.6162.2176.670.90000109E259 S331 A335 I336 L337E259-S333 PolarHBondContact OE1-OG 3.24Å; E259-S333 WeakPolarHBondContact OE2-CB 3.45Å; E259-S333 PolarHBondContact OE2-OG 2.85Å; S331-S333 PolarHBondContact O-N 3.2Å; S333-A335 VanDerWaalsContact C-N 3.27Å; S333-A335 PolarHBondContact O-N 3.19Å; S333-I336 VanDerWaalsContact N-CG2 3.28Å; S333-I336 WeakPolarHBondContact O-CG2 3.45Å; S333-I336 PolarHBondContact O-N 3.01Å; S333-I336 WeakPolarHBondContact OG-CG2 3.36Å; S333-I336 PolarHBondContact OG-N 2.76Å; S333-L337 VanDerWaalsContact O-CG 3.29Å; S333-L337 WeakPolarHBondContact O-CG 3.36Å; S333-L337 PolarHBondContact O-N 3.42Å
334P97.8Very high96.1Very high4 Ų447.6 Ų47.63%0.02626%0.257CS..Hα-helixtrans-53.9-44172.1-29.738.6000113.1I336 L337 W338 I392 N405 L408 K409P334-I336 PolarHBondContact O-N 2.89Å; P334-L337 PolarHBondContact O-N 3.45Å; P334-W338 PolarHBondContact O-N 2.75Å; P334-W338 VanDerWaalsContact O-N 3.07Å; P334-I392 HydrophobicContact CB-CG2 3.93Å; P334-N405 WeakPolarHBondContact CD-OD1 3.27Å; P334-N405 WeakPolarHBondContact CG-OD1 3.03Å; P334-L408 HydrophobicContact CB-CB 3.73Å; P334-L408 HydrophobicContact CB-CD1 3.98Å; P334-L408 HydrophobicContact CG-CB 3.61Å; P334-L408 HydrophobicContact CG-CD1 3.95Å; P334-L408 HydrophobicContact CG-CG 4.48Å; P334-K409 HydrophobicContact CG-CG 4.31Å
335A96.7Very high96.1Very high6 Ų647.6 Ų47.65%0.0526%0.257CS..Hα-helixtrans-60.1-46.5-178.200000112.2I255 S333 L337 W338 A339 H393I255-A335 HydrophobicContact CG2-CB 3.95Å; S333-A335 VanDerWaalsContact C-N 3.27Å; S333-A335 PolarHBondContact O-N 3.19Å; A335-L337 PolarHBondContact O-N 3.37Å; A335-W338 PolarHBondContact O-N 3.04Å; A335-A339 PolarHBondContact O-N 2.96Å; A335-H393 HydrophobicContact CB-CB 4.25Å
336I97.3Very high96.2Very high1 Ų147.2 Ų47.21%0.00525%0.254CS..Hα-helixtrans-69.9-31.8178.3-160.557.8000112.5I256 E259 L325 L330 S333 P334 A339 L340I256-I336 HydrophobicContact CG1-CD1 4.34Å; E259-I336 HydrophobicContact CB-CB 4.09Å; E259-I336 HydrophobicContact CB-CD1 3.74Å; E259-I336 HydrophobicContact CB-CG1 4.11Å; E259-I336 HydrophobicContact CG-CB 3.97Å; E259-I336 HydrophobicContact CG-CD1 4.22Å; E259-I336 HydrophobicContact CG-CG1 4.5Å; L325-I336 HydrophobicContact CD2-CD1 3.9Å; L330-I336 HydrophobicContact CD2-CG1 4.29Å; S333-I336 VanDerWaalsContact N-CG2 3.28Å; S333-I336 WeakPolarHBondContact O-CG2 3.45Å; S333-I336 PolarHBondContact O-N 3.01Å; S333-I336 WeakPolarHBondContact OG-CG2 3.36Å; S333-I336 PolarHBondContact OG-N 2.76Å; P334-I336 PolarHBondContact O-N 2.89Å; I336-A339 HydrophobicContact CD1-CB 4.36Å; I336-A339 PolarHBondContact O-N 3.2Å; I336-L340 HydrophobicContact CG1-CD1 4.33Å; I336-L340 HydrophobicContact CG1-CG 4.35Å; I336-L340 WeakPolarHBondContact O-CB 3.33Å; I336-L340 VanDerWaalsContact O-CG 3.25Å; I336-L340 WeakPolarHBondContact O-CG 3.49Å; I336-L340 PolarHBondContact O-N 3.15Å
337L98.4Very high96.2Very high31 Ų3142.4 Ų42.416%0.16224%0.235CC..Hα-helixtrans-62.4-46.8174.4-72.6173.1000111.3Y332 S333 P334 A335 A339 L340 G341 K409 F412Y332-L337 HydrophobicContact CD1-CD2 3.97Å; S333-L337 VanDerWaalsContact O-CG 3.29Å; S333-L337 WeakPolarHBondContact O-CG 3.36Å; S333-L337 PolarHBondContact O-N 3.42Å; P334-L337 PolarHBondContact O-N 3.45Å; A335-L337 PolarHBondContact O-N 3.37Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-A339 PolarHBondContact O-N 3.04Å; L337-L340 PolarHBondContact O-N 3.42Å; L337-G341 PolarHBondContact O-N 3.45Å; L337-K409 HydrophobicContact CD1-CB 4.44Å; L337-K409 HydrophobicContact CD1-CD 4.44Å; L337-K409 HydrophobicContact CD1-CG 3.9Å; L337-F412 HydrophobicContact CB-CD1 3.93Å; L337-F412 HydrophobicContact CB-CD2 4.26Å; L337-F412 HydrophobicContact CB-CE1 4Å; L337-F412 HydrophobicContact CB-CE2 4.33Å; L337-F412 HydrophobicContact CB-CG 4.06Å; L337-F412 HydrophobicContact CB-CZ 4.2Å; L337-F412 HydrophobicContact CD1-CD1 4.2Å; L337-F412 HydrophobicContact CD2-CE1 4.3Å; L337-F412 HydrophobicContact CG-CD1 4.47Å; L337-F412 VanDerWaalsContact O-CE2 3.22Å; L337-F412 WeakPolarHBondContact O-CE2 2.81Å; L337-F412 VanDerWaalsContact O-CZ 3.31Å; L337-F412 WeakPolarHBondContact O-CZ 3.33Å
338W98.6Very high96.4Very high0 Ų040.6 Ų40.60%021%0.21CC..Hα-helixtrans-63.2-40.1175-75.8100.4000112P334 A335 G341 F342 F385 M388 A389 I392 H411 F412 M415P334-W338 PolarHBondContact O-N 2.75Å; P334-W338 VanDerWaalsContact O-N 3.07Å; A335-W338 PolarHBondContact O-N 3.04Å; W338-G341 PolarHBondContact O-N 3.34Å; W338-F342 WeakPolarHBondContact O-CB 3.37Å; W338-F342 PolarHBondContact O-N 2.91Å; W338-F385 HydrophobicContact CE3-CB 4.13Å; W338-F385 AromaticContact CE3-CD1 3.66Å; W338-F385 HydrophobicContact CE3-CD1 3.66Å; W338-F385 HydrophobicContact CE3-CD2 4.19Å; W338-F385 HydrophobicContact CE3-CE1 4.04Å; W338-F385 AromaticContact CE3-CG 3.74Å; W338-F385 HydrophobicContact CE3-CG 3.74Å; W338-F385 HydrophobicContact CE3-CZ 4.46Å; W338-F385 HydrophobicContact CZ3-CB 4.42Å; W338-F385 AromaticContact CZ3-CD1 3.86Å; W338-F385 HydrophobicContact CZ3-CD1 3.86Å; W338-F385 AromaticContact CZ3-CD2 3.69Å; W338-F385 HydrophobicContact CZ3-CD2 3.69Å; W338-F385 AromaticContact CZ3-CE1 3.95Å; W338-F385 HydrophobicContact CZ3-CE1 3.95Å; W338-F385 AromaticContact CZ3-CE2 3.77Å; W338-F385 HydrophobicContact CZ3-CE2 3.77Å; W338-F385 AromaticContact CZ3-CG 3.73Å; W338-F385 HydrophobicContact CZ3-CG 3.73Å; W338-F385 AromaticContact CZ3-CZ 3.9Å; W338-F385 HydrophobicContact CZ3-CZ 3.9Å; W338-M388 HydrophobicContact CD2-CB 3.76Å; W338-M388 HydrophobicContact CE3-CB 3.58Å; W338-M388 HydrophobicContact CE3-CG 4.26Å; W338-M388 HydrophobicContact CG-CB 4.46Å; W338-M388 HydrophobicContact CH2-CB 4Å; W338-M388 HydrophobicContact CH2-CG 3.92Å; W338-M388 HydrophobicContact CZ2-CB 4.17Å; W338-M388 HydrophobicContact CZ2-CG 4.4Å; W338-M388 HydrophobicContact CZ3-CB 3.69Å; W338-M388 HydrophobicContact CZ3-CG 3.83Å; W338-A389 HydrophobicContact CB-CB 3.59Å; W338-I392 VanDerWaalsContact CD1-CD1 3.49Å; W338-I392 HydrophobicContact CG-CD1 4.44Å; W338-I392 VanDerWaalsContact NE1-CD1 3.3Å; W338-H411 AromaticContact CH2-CE1 3.91Å; W338-H411 AromaticContact CZ2-CE1 3.4Å; W338-H411 WeakPolarHBondContact CZ2-CE1 3.29Å; W338-H411 AromaticContact CZ2-ND1 3.57Å; W338-F412 AromaticContact CD2-CD2 3.73Å; W338-F412 HydrophobicContact CD2-CD2 3.73Å; W338-F412 HydrophobicContact CD2-CE2 4.42Å; W338-F412 AromaticContact CE2-CD2 3.79Å; W338-F412 HydrophobicContact CE3-CD2 4.15Å; W338-F412 AromaticContact CG-CD2 3.99Å; W338-F412 HydrophobicContact CG-CD2 3.99Å; W338-F412 HydrophobicContact CZ2-CB 4.21Å; W338-F412 HydrophobicContact CZ2-CD2 4.21Å; W338-M415 HydrophobicContact CH2-CB 3.72Å; W338-M415 HydrophobicContact CH2-CG 4Å; W338-M415 HydrophobicContact CZ2-CB 4.4Å
339A98.2Very high96.6Very high0 Ų039 Ų390%020%0.199CC..Hα-helixtrans-66-40.917700000113.1I252 I255 I256 A335 I336 L337 F342 V343I252-A339 HydrophobicContact CD1-CB 4.03Å; I255-A339 HydrophobicContact CG2-CB 3.99Å; I256-A339 HydrophobicContact CD1-CB 4.46Å; I256-A339 HydrophobicContact CG1-CB 4.03Å; A335-A339 PolarHBondContact O-N 2.96Å; I336-A339 HydrophobicContact CD1-CB 4.36Å; I336-A339 PolarHBondContact O-N 3.2Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-A339 PolarHBondContact O-N 3.04Å; A339-F342 WeakPolarHBondContact O-CB 3.37Å; A339-F342 PolarHBondContact O-N 3.4Å; A339-V343 WeakPolarHBondContact O-CG2 3.4Å; A339-V343 PolarHBondContact O-N 3.35Å
340L98.1Very high96.8Very high52 Ų5231 Ų3127%0.27217%0.169SC..Hα-helixtrans-66-42.2173.7-70.9172.5000111.6L325 L330 I336 L337 F342 V343 F344L325-L340 HydrophobicContact CD1-CD2 3.65Å; L330-L340 HydrophobicContact CD1-CD1 4.48Å; I336-L340 HydrophobicContact CG1-CD1 4.33Å; I336-L340 HydrophobicContact CG1-CG 4.35Å; I336-L340 WeakPolarHBondContact O-CB 3.33Å; I336-L340 VanDerWaalsContact O-CG 3.25Å; I336-L340 WeakPolarHBondContact O-CG 3.49Å; I336-L340 PolarHBondContact O-N 3.15Å; L337-L340 PolarHBondContact O-N 3.42Å; L340-F342 VanDerWaalsContact C-N 3.32Å; L340-F342 PolarHBondContact O-N 3.21Å; L340-V343 PolarHBondContact O-N 3.1Å; L340-F344 WeakPolarHBondContact O-CB 3.32Å; L340-F344 PolarHBondContact O-N 3.42Å
341G98.1Very high97.1Very high3 Ų334 Ų343%0.03119%0.185CC..Hα-helixtrans-58.6-44.217400000111.9L337 W338 L345L337-G341 PolarHBondContact O-N 3.45Å; W338-G341 PolarHBondContact O-N 3.34Å; G341-L345 WeakPolarHBondContact O-CB 3.46Å; G341-L345 WeakPolarHBondContact O-CG 3.26Å; G341-L345 PolarHBondContact O-N 3.38Å
342F98.5Very high97.6Very high0 Ų030.7 Ų30.70%016%0.161CC..Hα-helixtrans-57.3-56.6172.6171-88.2000111.3I245 F249 I252 W321 W338 A339 L340 F344 L345 F346 G382 F385 A386I245-F342 HydrophobicContact CD1-CE2 3.98Å; I245-F342 HydrophobicContact CD1-CZ 4.43Å; F249-F342 HydrophobicContact CD1-CE1 4.39Å; F249-F342 AromaticContact CD1-CZ 3.75Å; F249-F342 HydrophobicContact CD1-CZ 3.75Å; F249-F342 AromaticContact CE1-CZ 3.86Å; F249-F342 HydrophobicContact CE1-CZ 3.86Å; I252-F342 HydrophobicContact CB-CD1 4.23Å; I252-F342 HydrophobicContact CB-CE1 4.29Å; I252-F342 HydrophobicContact CD1-CB 4Å; I252-F342 HydrophobicContact CD1-CD1 4.09Å; I252-F342 HydrophobicContact CD1-CD2 4.47Å; I252-F342 HydrophobicContact CD1-CG 3.92Å; I252-F342 HydrophobicContact CG1-CB 4.43Å; I252-F342 HydrophobicContact CG1-CD1 3.62Å; I252-F342 HydrophobicContact CG1-CD2 4.19Å; I252-F342 HydrophobicContact CG1-CE1 3.88Å; I252-F342 HydrophobicContact CG1-CE2 4.4Å; I252-F342 HydrophobicContact CG1-CG 3.8Å; I252-F342 HydrophobicContact CG1-CZ 4.27Å; I252-F342 HydrophobicContact CG2-CD1 3.85Å; I252-F342 HydrophobicContact CG2-CE1 4.14Å; W321-F342 HydrophobicContact CE3-CE1 4.42Å; W321-F342 AromaticContact CH2-CE1 3.64Å; W321-F342 HydrophobicContact CH2-CE1 3.64Å; W321-F342 HydrophobicContact CH2-CZ 4.24Å; W321-F342 HydrophobicContact CZ2-CE1 4.45Å; W321-F342 HydrophobicContact CZ3-CD1 4.48Å; W321-F342 AromaticContact CZ3-CE1 3.63Å; W321-F342 HydrophobicContact CZ3-CE1 3.63Å; W338-F342 WeakPolarHBondContact O-CB 3.37Å; W338-F342 PolarHBondContact O-N 2.91Å; A339-F342 WeakPolarHBondContact O-CB 3.37Å; A339-F342 PolarHBondContact O-N 3.4Å; L340-F342 VanDerWaalsContact C-N 3.32Å; L340-F342 PolarHBondContact O-N 3.21Å; F342-F344 VanDerWaalsContact C-N 3.26Å; F342-F344 PolarHBondContact O-N 3.01Å; F342-L345 PolarHBondContact O-N 2.76Å; F342-F346 HydrophobicContact CE1-CB 4.42Å; F342-F346 HydrophobicContact CE1-CG 4.5Å; F342-F346 HydrophobicContact CE2-CB 4.32Å; F342-F346 HydrophobicContact CE2-CD2 4.42Å; F342-F346 HydrophobicContact CE2-CG 4.36Å; F342-F346 HydrophobicContact CZ-CB 4.24Å; F342-F346 HydrophobicContact CZ-CD1 4.38Å; F342-F346 HydrophobicContact CZ-CD2 4.36Å; F342-F346 HydrophobicContact CZ-CG 4.05Å; F342-F346 WeakPolarHBondContact O-CA 3.43Å; F342-F346 WeakPolarHBondContact O-CB 3.36Å; F342-F346 PolarHBondContact O-N 2.94Å; F342-G382 WeakPolarHBondContact CD2-O 3.37Å; F342-G382 WeakPolarHBondContact CE2-O 3.46Å; F342-F385 HydrophobicContact CB-CB 4.29Å; F342-A386 HydrophobicContact CD2-CB 3.99Å; F342-A386 HydrophobicContact CE2-CB 4.02Å
343V98.3Very high97.7Very high9 Ų924.9 Ų24.96%0.05514%0.144CC..Hα-helixtrans-57.3-43-1761720000110.6I252 I256 I318 W321 L322 A339 L340 T347I252-V343 HydrophobicContact CG2-CG2 4.43Å; I256-V343 HydrophobicContact CD1-CG2 4.01Å; I318-V343 HydrophobicContact CD1-CG1 4.29Å; I318-V343 HydrophobicContact CG2-CG1 4.34Å; W321-V343 HydrophobicContact CB-CG2 4.29Å; W321-V343 HydrophobicContact CD2-CG2 4.34Å; W321-V343 HydrophobicContact CE3-CG2 3.89Å; L322-V343 HydrophobicContact CD2-CG1 4.25Å; A339-V343 WeakPolarHBondContact O-CG2 3.4Å; A339-V343 PolarHBondContact O-N 3.35Å; L340-V343 PolarHBondContact O-N 3.1Å; V343-T347 WeakPolarHBondContact O-CB 3.32Å; V343-T347 PolarHBondContact O-N 3.48Å; V343-T347 PolarHBondContact O-OG1 3.46Å
344F97.8Very high97.8Very high124 Ų12426.4 Ų26.454%0.54415%0.152SC..Hα-helixtrans-67-57.9179.4178.7-112.2000112.7L340 F342 T347 V348 F416L340-F344 WeakPolarHBondContact O-CB 3.32Å; L340-F344 PolarHBondContact O-N 3.42Å; F342-F344 VanDerWaalsContact C-N 3.26Å; F342-F344 PolarHBondContact O-N 3.01Å; F344-T347 WeakPolarHBondContact O-CB 3.36Å; F344-T347 PolarHBondContact O-N 3.48Å; F344-V348 HydrophobicContact CE2-CG2 4.47Å; F344-V348 HydrophobicContact CZ-CG2 4.34Å; F344-V348 PolarHBondContact O-N 3.2Å; F344-V348 VanDerWaalsContact O-N 3.11Å; F344-F416 HydrophobicContact CD1-CZ 4.31Å; F344-F416 HydrophobicContact CE1-CZ 4.48Å
345L97.6Very high97.8Very high1 Ų128.8 Ų28.81%0.00517%0.167CC..Hα-helixtrans-73.3-33.4-172.2-61.9172.4000112.3G341 F342 T347 V348 G349 Y377 M381 F385 F416 N420G341-L345 WeakPolarHBondContact O-CB 3.46Å; G341-L345 WeakPolarHBondContact O-CG 3.26Å; G341-L345 PolarHBondContact O-N 3.38Å; F342-L345 PolarHBondContact O-N 2.76Å; L345-T347 VanDerWaalsContact C-N 3.28Å; L345-T347 PolarHBondContact O-N 3.47Å; L345-V348 PolarHBondContact O-N 2.96Å; L345-G349 PolarHBondContact O-N 3.33Å; L345-Y377 HydrophobicContact CD2-CE1 4.06Å; L345-M381 HydrophobicContact CB-CB 3.58Å; L345-M381 HydrophobicContact CB-CG 4.18Å; L345-M381 HydrophobicContact CB-SD 4.07Å; L345-M381 HydrophobicContact CD1-CB 3.86Å; L345-M381 HydrophobicContact CD1-CG 3.67Å; L345-M381 HydrophobicContact CD1-SD 3.79Å; L345-M381 HydrophobicContact CD2-SD 4.11Å; L345-M381 HydrophobicContact CG-CB 4.33Å; L345-M381 HydrophobicContact CG-CG 4.46Å; L345-M381 HydrophobicContact CG-SD 4.2Å; L345-F385 HydrophobicContact CD1-CD1 4.5Å; L345-F385 HydrophobicContact CD1-CE1 3.82Å; L345-F385 HydrophobicContact CD1-CZ 3.98Å; L345-F416 HydrophobicContact CD1-CD2 3.93Å; L345-F416 HydrophobicContact CD1-CE2 3.66Å; L345-F416 HydrophobicContact CD1-CZ 4.47Å; L345-F416 HydrophobicContact CD2-CE2 4.28Å; L345-F416 HydrophobicContact CD2-CZ 4.37Å; L345-F416 HydrophobicContact CG-CE2 4.03Å; L345-N420 VanDerWaalsContact CD2-OD1 3.31Å; L345-N420 WeakPolarHBondContact CD2-OD1 3.35Å
346F98Very high97.9Very high12 Ų1229.4 Ų29.45%0.05317%0.169CC..Hα-helixtrans-63.9-35.4171.4-177.5-98.1000111.4I245 F249 T314 I318 F342 G349 G350 V378I245-F346 HydrophobicContact CD1-CD2 4.21Å; I245-F346 HydrophobicContact CD1-CE2 4.05Å; I245-F346 HydrophobicContact CG1-CD2 4.37Å; I245-F346 HydrophobicContact CG1-CE2 3.73Å; I245-F346 HydrophobicContact CG1-CZ 4.31Å; F249-F346 HydrophobicContact CE1-CD1 4.39Å; F249-F346 AromaticContact CE1-CE1 3.75Å; F249-F346 HydrophobicContact CE1-CE1 3.75Å; F249-F346 HydrophobicContact CE1-CE2 4.06Å; F249-F346 AromaticContact CE1-CZ 3.58Å; F249-F346 HydrophobicContact CE1-CZ 3.58Å; F249-F346 AromaticContact CZ-CE1 3.94Å; F249-F346 HydrophobicContact CZ-CE1 3.94Å; F249-F346 HydrophobicContact CZ-CE2 4.23Å; F249-F346 AromaticContact CZ-CZ 3.52Å; F249-F346 HydrophobicContact CZ-CZ 3.52Å; T314-F346 HydrophobicContact CG2-CE1 3.7Å; T314-F346 HydrophobicContact CG2-CZ 4.27Å; I318-F346 HydrophobicContact CD1-CD1 4.16Å; F342-F346 HydrophobicContact CE1-CB 4.42Å; F342-F346 HydrophobicContact CE1-CG 4.5Å; F342-F346 HydrophobicContact CE2-CB 4.32Å; F342-F346 HydrophobicContact CE2-CD2 4.42Å; F342-F346 HydrophobicContact CE2-CG 4.36Å; F342-F346 HydrophobicContact CZ-CB 4.24Å; F342-F346 HydrophobicContact CZ-CD1 4.38Å; F342-F346 HydrophobicContact CZ-CD2 4.36Å; F342-F346 HydrophobicContact CZ-CG 4.05Å; F342-F346 WeakPolarHBondContact O-CA 3.43Å; F342-F346 WeakPolarHBondContact O-CB 3.36Å; F342-F346 PolarHBondContact O-N 2.94Å; F346-G349 PolarHBondContact O-N 2.93Å; F346-G350 PolarHBondContact O-N 2.92Å; F346-V378 HydrophobicContact CE2-CG1 4.13Å
347T97.7Very high97.9Very high49 Ų4929.5 Ų29.530%0.30117%0.17SC..Hα-helixtrans-64.2-45.1173-59.90000111.2I318 V343 F344 L345 G349 G350 L351I318-T347 WeakPolarHBondContact CD1-OG1 3.1Å; V343-T347 WeakPolarHBondContact O-CB 3.32Å; V343-T347 PolarHBondContact O-N 3.48Å; V343-T347 PolarHBondContact O-OG1 3.46Å; F344-T347 WeakPolarHBondContact O-CB 3.36Å; F344-T347 PolarHBondContact O-N 3.48Å; L345-T347 VanDerWaalsContact C-N 3.28Å; L345-T347 PolarHBondContact O-N 3.47Å; T347-G349 VanDerWaalsContact C-N 3.34Å; T347-G349 PolarHBondContact O-N 2.85Å; T347-G350 PolarHBondContact O-N 2.88Å; T347-L351 HydrophobicContact CG2-CD1 4.48Å; T347-L351 WeakPolarHBondContact O-CG 3.25Å; T347-L351 PolarHBondContact O-N 3.22Å
348V97.8Very high97.9Very high38 Ų3830.4 Ų30.423%0.2318%0.175CC..Hα-helixtrans-58.8-46.7175.5176.20000110.8F344 L345 G350 L351 T352 Y377F344-V348 HydrophobicContact CE2-CG2 4.47Å; F344-V348 HydrophobicContact CZ-CG2 4.34Å; F344-V348 PolarHBondContact O-N 3.2Å; F344-V348 VanDerWaalsContact O-N 3.11Å; L345-V348 PolarHBondContact O-N 2.96Å; V348-G350 VanDerWaalsContact C-N 3.35Å; V348-G350 PolarHBondContact O-N 2.57Å; V348-L351 PolarHBondContact O-N 3.32Å; V348-T352 PolarHBondContact O-N 2.85Å; V348-T352 VanDerWaalsContact O-N 3.14Å; V348-Y377 HydrophobicContact CB-CD1 4.14Å; V348-Y377 HydrophobicContact CB-CE1 4.16Å; V348-Y377 HydrophobicContact CG1-CD1 3.95Å; V348-Y377 HydrophobicContact CG1-CE1 3.77Å
349G97.5Very high97.9Very high0 Ų031 Ų310%018%0.179CC..Hα-helixtrans-61.5-3917500000113.7L345 F346 T347 T352 G353 H374L345-G349 PolarHBondContact O-N 3.33Å; F346-G349 PolarHBondContact O-N 2.93Å; T347-G349 VanDerWaalsContact C-N 3.34Å; T347-G349 PolarHBondContact O-N 2.85Å; G349-T352 PolarHBondContact O-N 3.43Å; G349-T352 PolarHBondContact O-OG1 3.46Å; G349-G353 PolarHBondContact O-N 3.29Å; G349-H374 PolarHBondContact O-CE1 3.49Å; G349-H374 VanDerWaalsContact O-CE1 3.24Å; G349-H374 PolarHBondContact O-ND1 3.42Å
350G96.8Very high97.8Very high27 Ų2735.2 Ų35.228%0.27821%0.208SC..Hα-helixtrans-62.4-42.6175.400000112.2F346 T347 V348 T352 G353 V354F346-G350 PolarHBondContact O-N 2.92Å; T347-G350 PolarHBondContact O-N 2.88Å; V348-G350 VanDerWaalsContact C-N 3.35Å; V348-G350 PolarHBondContact O-N 2.57Å; G350-T352 PolarHBondContact O-N 3.34Å; G350-G353 WeakPolarHBondContact O-CA 3.18Å; G350-G353 PolarHBondContact O-N 2.91Å; G350-G353 VanDerWaalsContact O-N 3.16Å; G350-V354 PolarHBondContact O-N 3.44Å; G350-V354 VanDerWaalsContact O-N 3.08Å
351L97.5Very high97.7Very high111 Ų11135.2 Ų35.258%0.58121%0.211SC*.Hα-helixtrans-64.3-39.5176.9-67.7174.6000112.1T347 V348 G353 V354 V355T347-L351 HydrophobicContact CG2-CD1 4.48Å; T347-L351 WeakPolarHBondContact O-CG 3.25Å; T347-L351 PolarHBondContact O-N 3.22Å; V348-L351 PolarHBondContact O-N 3.32Å; L351-G353 PolarHBondContact O-N 3.4Å; L351-V354 PolarHBondContact O-N 2.85Å; L351-V355 PolarHBondContact O-N 2.6Å
352T97.8Very high97.7Very high15 Ų1535.4 Ų35.49%0.09221%0.211CC..Hα-helixtrans-68.2-28.3175.362.40000112V348 G349 G350 V355 L356 H374V348-T352 PolarHBondContact O-N 2.85Å; V348-T352 VanDerWaalsContact O-N 3.14Å; G349-T352 PolarHBondContact O-N 3.43Å; G349-T352 PolarHBondContact O-OG1 3.46Å; G350-T352 PolarHBondContact O-N 3.34Å; T352-V355 WeakPolarHBondContact O-CB 3.48Å; T352-V355 PolarHBondContact O-N 3.09Å; T352-L356 PolarHBondContact O-N 3.01Å; T352-L356 VanDerWaalsContact O-N 3.14Å; T352-H374 PolarHBondContact OG1-ND1 2.63Å
353G97.3Very high97.6Very high18 Ų1839.4 Ų39.419%0.18623%0.231CC..Hα-helixtrans-66.3-37.3170.600000113.3G349 G350 L351 V355 L356 A357 H374G349-G353 PolarHBondContact O-N 3.29Å; G350-G353 WeakPolarHBondContact O-CA 3.18Å; G350-G353 PolarHBondContact O-N 2.91Å; G350-G353 VanDerWaalsContact O-N 3.16Å; L351-G353 PolarHBondContact O-N 3.4Å; G353-V355 VanDerWaalsContact C-N 3.25Å; G353-V355 PolarHBondContact O-N 3.26Å; G353-L356 PolarHBondContact O-N 3.2Å; G353-A357 WeakPolarHBondContact O-CB 3.3Å; G353-A357 PolarHBondContact O-N 3.49Å; G353-H374 WeakPolarHBondContact CA-CE1 3.42Å; G353-H374 WeakPolarHBondContact CA-ND1 3.32Å; G353-H374 PolarHBondContact N-CE1 2.95Å; G353-H374 VanDerWaalsContact N-CE1 3.33Å; G353-H374 PolarHBondContact N-ND1 3.31Å; G353-H374 VanDerWaalsContact N-ND1 3.17Å
354V98.1Very high97.5Very high54 Ų5445 Ų4533%0.32726%0.26SS..Hα-helixtrans-63.5-34173.3176.80000111.3M308 A311 G350 L351M308-V354 HydrophobicContact CG-CG1 4.47Å; A311-V354 HydrophobicContact CB-CG2 3.85Å; G350-V354 PolarHBondContact O-N 3.44Å; G350-V354 VanDerWaalsContact O-N 3.08Å; L351-V354 PolarHBondContact O-N 2.85Å
355V98.3Very high97.5Very high54 Ų5439.3 Ų39.333%0.32724%0.235SC..Hα-helixtrans-65.2-49.2173.61790000110.8L351 T352 G353 A357 N358 V361 L365 Y370L351-V355 PolarHBondContact O-N 2.6Å; T352-V355 WeakPolarHBondContact O-CB 3.48Å; T352-V355 PolarHBondContact O-N 3.09Å; G353-V355 VanDerWaalsContact C-N 3.25Å; G353-V355 PolarHBondContact O-N 3.26Å; V355-A357 VanDerWaalsContact C-N 3.27Å; V355-A357 PolarHBondContact O-N 2.97Å; V355-N358 WeakPolarHBondContact O-CB 3.41Å; V355-N358 PolarHBondContact O-N 3.48Å; V355-N358 VanDerWaalsContact O-N 3.09Å; V355-V361 HydrophobicContact CG1-CG1 3.88Å; V355-L365 HydrophobicContact CG1-CD1 4.06Å; V355-Y370 HydrophobicContact CB-CE1 4.5Å; V355-Y370 HydrophobicContact CG1-CE1 4.4Å
356L98.1Very high97.5Very high18 Ų1840.8 Ų40.89%0.09424%0.242CC..Hα-helixtrans-68.3-24179-70.1174.2000113.5T352 G353 N358 D362 L365 Y370 V371 H374T352-L356 PolarHBondContact O-N 3.01Å; T352-L356 VanDerWaalsContact O-N 3.14Å; G353-L356 PolarHBondContact O-N 3.2Å; L356-N358 PolarHBondContact O-N 3.18Å; L356-D362 WeakPolarHBondContact CD2-OD1 3.49Å; L356-L365 HydrophobicContact CD2-CB 3.97Å; L356-L365 HydrophobicContact CD2-CD1 4.29Å; L356-Y370 HydrophobicContact CD1-CD1 4Å; L356-Y370 HydrophobicContact CD1-CE1 4.2Å; L356-Y370 HydrophobicContact CD2-CD1 3.67Å; L356-Y370 HydrophobicContact CD2-CE1 4.03Å; L356-Y370 HydrophobicContact CG-CD1 3.85Å; L356-Y370 HydrophobicContact CG-CE1 3.82Å; L356-V371 HydrophobicContact CD1-CB 4.46Å; L356-V371 HydrophobicContact CD1-CG1 4.47Å; L356-V371 HydrophobicContact CD1-CG2 4.15Å; L356-V371 HydrophobicContact CD2-CG2 3.96Å; L356-H374 HydrophobicContact CD1-CB 3.64Å
357A98.1Very high97.4Very high3 Ų342.5 Ų42.53%0.02525%0.251CS..THydrogen-bonded Turntrans-64.4-20.3171.900000112.5T304 T307 M308 G353 V355 S359T304-A357 VanDerWaalsContact CA-O 3.3Å; T304-A357 WeakPolarHBondContact CA-O 3.46Å; T304-A357 WeakPolarHBondContact CG2-O 3.26Å; T304-A357 PolarHBondContact OG1-O 3.24Å; T307-A357 HydrophobicContact CG2-CB 3.53Å; M308-A357 HydrophobicContact CE-CB 4.33Å; M308-A357 HydrophobicContact CG-CB 3.81Å; G353-A357 WeakPolarHBondContact O-CB 3.3Å; G353-A357 PolarHBondContact O-N 3.49Å; V355-A357 VanDerWaalsContact C-N 3.27Å; V355-A357 PolarHBondContact O-N 2.97Å; A357-S359 PolarHBondContact O-N 3.4Å
358N98Very high97.4Very high51 Ų5140.6 Ų40.627%0.27324%0.239SC..  trans-81.4105.7178-170.9-45.6000111M308 V355 L356 S360 V361 D362M308-N358 HydrophobicContact CE-CB 3.55Å; V355-N358 WeakPolarHBondContact O-CB 3.41Å; V355-N358 PolarHBondContact O-N 3.48Å; V355-N358 VanDerWaalsContact O-N 3.09Å; L356-N358 PolarHBondContact O-N 3.18Å; N358-S360 PolarHBondContact O-N 2.9Å; N358-S360 VanDerWaalsContact O-N 3.1Å; N358-S360 WeakPolarHBondContact OD1-CB 3.47Å; N358-S360 PolarHBondContact OD1-N 3.21Å; N358-V361 HydrophobicContact CB-CB 4.2Å; N358-V361 HydrophobicContact CB-CG2 4.1Å; N358-V361 PolarHBondContact O-N 3.11Å; N358-V361 PolarHBondContact OD1-N 2.71Å; N358-D362 WeakPolarHBondContact O-CB 3.5Å; N358-D362 PolarHBondContact O-N 3.29Å
359S97.5Very high97.4Very high11 Ų1139.3 Ų39.38%0.07723%0.231CC..Hα-helixtrans-55.4-29.6179570000115.2T304 A357 I363T304-S359 WeakPolarHBondContact OG1-CB 3.28Å; T304-S359 PolarHBondContact OG1-N 3.39Å; T304-S359 PolarHBondContact OG1-OG 2.87Å; A357-S359 PolarHBondContact O-N 3.4Å; S359-I363 WeakPolarHBondContact O-CD1 3.37Å; S359-I363 VanDerWaalsContact O-CG1 3.26Å; S359-I363 WeakPolarHBondContact O-CG1 3.28Å; S359-I363 PolarHBondContact O-N 3.07Å
360S96.6Very high97.5Very high89 Ų8940.2 Ų40.262%0.62223%0.234SC*.Hα-helixtrans-73.3-35.7178.7-59.10000112.2N358N358-S360 PolarHBondContact O-N 2.9Å; N358-S360 VanDerWaalsContact O-N 3.1Å; N358-S360 WeakPolarHBondContact OD1-CB 3.47Å; N358-S360 PolarHBondContact OD1-N 3.21Å
361V97.4Very high97.6Very high53 Ų5340 Ų4032%0.32123%0.227SC..Hα-helixtrans-80.2-39.1176.2-177.30000110.2V355 N358 I363 I364 L365V355-V361 HydrophobicContact CG1-CG1 3.88Å; N358-V361 HydrophobicContact CB-CB 4.2Å; N358-V361 HydrophobicContact CB-CG2 4.1Å; N358-V361 PolarHBondContact O-N 3.11Å; N358-V361 PolarHBondContact OD1-N 2.71Å; V361-I363 PolarHBondContact O-N 3.4Å; V361-I364 WeakPolarHBondContact O-CG1 3.43Å; V361-I364 PolarHBondContact O-N 3.27Å; V361-L365 HydrophobicContact CG1-CD1 3.67Å; V361-L365 HydrophobicContact CG1-CG 4.16Å; V361-L365 PolarHBondContact O-N 3.48Å
362D97.5Very high97.6Very high6 Ų636.1 Ų36.13%0.03221%0.208CC..Hα-helixtrans-61.7-30.9-178.9-16860.4000111.7F291 L356 N358 I364 L365 H366F291-D362 HydrophobicContact CD2-CB 3.82Å; F291-D362 WeakPolarHBondContact CD2-OD2 3.35Å; F291-D362 HydrophobicContact CE2-CB 4.5Å; L356-D362 WeakPolarHBondContact CD2-OD1 3.49Å; N358-D362 WeakPolarHBondContact O-CB 3.5Å; N358-D362 PolarHBondContact O-N 3.29Å; D362-I364 PolarHBondContact O-N 3.07Å; D362-L365 CarbonylContact O-C 3.59Å; D362-L365 PolarHBondContact O-N 3.09Å; D362-H366 WeakPolarHBondContact O-CA 3.28Å; D362-H366 WeakPolarHBondContact O-CB 3.45Å; D362-H366 PolarHBondContact O-N 3.15Å; D362-H366 IonicContact OD1-ND1 2.91Å; D362-H366 IonicContact OD2-CE1 3.77Å; D362-H366 IonicContact OD2-CG 3.54Å; D362-H366 IonicContact OD2-ND1 3.1Å; D362-H366 PolarHBondContact OD2-ND1 2.86Å
363I95.5Very high97.6Very high85 Ų8535.4 Ų35.444%0.43620%0.204SC..Hα-helixtrans-48.3-36.4175.1-72.6158.7000113.5S359 V361S359-I363 WeakPolarHBondContact O-CD1 3.37Å; S359-I363 VanDerWaalsContact O-CG1 3.26Å; S359-I363 WeakPolarHBondContact O-CG1 3.28Å; S359-I363 PolarHBondContact O-N 3.07Å; V361-I363 PolarHBondContact O-N 3.4Å
364I96.3Very high97.6Very high126 Ų12636.3 Ų36.365%0.64620%0.203SC*.Hα-helixtrans-95.7-21178.660.9164.7000113.7V361 D362V361-I364 WeakPolarHBondContact O-CG1 3.43Å; V361-I364 PolarHBondContact O-N 3.27Å; D362-I364 PolarHBondContact O-N 3.07Å
365L98.1Very high97.6Very high4 Ų436.1 Ų36.12%0.02120%0.198CC..Hα-helixtrans-96.6-14.4-179.8-59.9-174.4000113V355 L356 V361 D362 D367 T368 Y370 L431V355-L365 HydrophobicContact CG1-CD1 4.06Å; L356-L365 HydrophobicContact CD2-CB 3.97Å; L356-L365 HydrophobicContact CD2-CD1 4.29Å; V361-L365 HydrophobicContact CG1-CD1 3.67Å; V361-L365 HydrophobicContact CG1-CG 4.16Å; V361-L365 PolarHBondContact O-N 3.48Å; D362-L365 CarbonylContact O-C 3.59Å; D362-L365 PolarHBondContact O-N 3.09Å; L365-D367 PolarHBondContact O-N 3.38Å; L365-T368 WeakPolarHBondContact O-CB 3.32Å; L365-T368 WeakPolarHBondContact O-CG2 3.05Å; L365-T368 PolarHBondContact O-N 3.25Å; L365-T368 VanDerWaalsContact O-N 3.09Å; L365-T368 PolarHBondContact O-OG1 3.01Å; L365-Y370 HydrophobicContact CD1-CD1 3.95Å; L365-Y370 HydrophobicContact CD1-CD2 4.18Å; L365-Y370 HydrophobicContact CD1-CE1 4.08Å; L365-Y370 HydrophobicContact CD1-CE2 4.31Å; L365-Y370 HydrophobicContact CD1-CG 3.98Å; L365-Y370 HydrophobicContact CD2-CD2 4.48Å; L365-Y370 HydrophobicContact CD2-CG 4.43Å; L365-L431 HydrophobicContact CD2-CD2 4.04Å
366H97.7Very high97.6Very high33 Ų3335.1 Ų35.115%0.15319%0.19CC..THydrogen-bonded Turntrans-59136.2-177.1-160.989.9000109.6H289 T292 D362 T368H289-H366 PolarHBondContact O-CE1 3.2Å; T292-H366 HydrophobicContact CG2-CB 3.52Å; T292-H366 PolarHBondContact OG1-CD2 3.41Å; T292-H366 PolarHBondContact OG1-NE2 3.22Å; D362-H366 WeakPolarHBondContact O-CA 3.28Å; D362-H366 WeakPolarHBondContact O-CB 3.45Å; D362-H366 PolarHBondContact O-N 3.15Å; D362-H366 IonicContact OD1-ND1 2.91Å; D362-H366 IonicContact OD2-CE1 3.77Å; D362-H366 IonicContact OD2-CG 3.54Å; D362-H366 IonicContact OD2-ND1 3.1Å; D362-H366 PolarHBondContact OD2-ND1 2.86Å; H366-T368 PolarHBondContact O-N 3.17Å
367D96.1Very high97.5Very high48 Ų4834.3 Ų34.326%0.25719%0.186SC..THydrogen-bonded Turntrans54.324.7-177.7-82.6-18.7000114.9L365 R436 R437L365-D367 PolarHBondContact O-N 3.38Å; D367-R436 HydrophobicContact CB-CG 4.46Å; D367-R436 VanDerWaalsContact O-CG 3.32Å; D367-R436 WeakPolarHBondContact O-CG 3.38Å; D367-R436 PolarHBondContact O-N 3.45Å; D367-R436 IonicContact OD1-CZ 3.65Å; D367-R436 IonicContact OD1-NE 2.76Å; D367-R436 PolarHBondContact OD1-NE 3.39Å; D367-R436 IonicContact OD1-NH2 3.97Å; D367-R436 PolarHBondContact OD1-NH2 3.46Å; D367-R437 IonicContact OD1-CZ 2.91Å; D367-R437 IonicContact OD1-NH1 3.75Å; D367-R437 PolarHBondContact OD1-NH1 2.96Å; D367-R437 IonicContact OD1-NH2 3.43Å; D367-R437 IonicContact OD2-CZ 2.65Å; D367-R437 IonicContact OD2-NH1 2.77Å; D367-R437 PolarHBondContact OD2-NH1 2.83Å
368T98.2Very high97.5Very high8 Ų835.3 Ų35.35%0.04919%0.191CC..BIsolated β-bridgetrans-99.8172.9169.473.80000112.2L365 H366 Y370 V371 M434L365-T368 WeakPolarHBondContact O-CB 3.32Å; L365-T368 WeakPolarHBondContact O-CG2 3.05Å; L365-T368 PolarHBondContact O-N 3.25Å; L365-T368 VanDerWaalsContact O-N 3.09Å; L365-T368 PolarHBondContact O-OG1 3.01Å; H366-T368 PolarHBondContact O-N 3.17Å; T368-Y370 PolarHBondContact O-N 3.47Å; T368-Y370 VanDerWaalsContact O-N 3.12Å; T368-Y370 WeakPolarHBondContact OG1-CB 3.35Å; T368-Y370 PolarHBondContact OG1-N 2.95Å; T368-Y370 VanDerWaalsContact OG1-N 3.17Å; T368-V371 PolarHBondContact O-N 3.09Å; T368-V371 VanDerWaalsContact O-N 3.16Å; T368-M434 CarbonylContact C-O 3.48Å; T368-M434 VanDerWaalsContact CA-O 3.27Å; T368-M434 WeakPolarHBondContact CA-O 3.4Å; T368-M434 WeakPolarHBondContact CB-O 3.28Å
369Y98.1Very high97.2Very high11 Ų1133.5 Ų33.54%0.04318%0.181CC..Hα-helixtrans-60.8-13.4170.5-90.3-99.4000114.3L39 V371 V372 A373 Q426 L429 M434 P435 R436L39-Y369 WeakPolarHBondContact CD1-OH 3.33Å; Y369-V371 VanDerWaalsContact C-N 3.28Å; Y369-V371 PolarHBondContact O-N 3.33Å; Y369-V372 HydrophobicContact CD1-CB 4.27Å; Y369-V372 HydrophobicContact CD1-CG1 4.49Å; Y369-V372 HydrophobicContact CD1-CG2 4.36Å; Y369-V372 WeakPolarHBondContact O-CB 3.26Å; Y369-V372 PolarHBondContact O-N 2.67Å; Y369-A373 WeakPolarHBondContact O-CB 3.11Å; Y369-A373 PolarHBondContact O-N 3.09Å; Y369-Q426 CarbonylContact C-O 3.57Å; Y369-Q426 HydrophobicContact CD1-CB 4.22Å; Y369-Q426 HydrophobicContact CD1-CG 4.07Å; Y369-L429 HydrophobicContact CD1-CD1 4.42Å; Y369-L429 HydrophobicContact CG-CB 4.34Å; Y369-M434 HydrophobicContact CD2-CB 4.16Å; Y369-M434 HydrophobicContact CD2-CE 3.98Å; Y369-M434 HydrophobicContact CD2-CG 3.72Å; Y369-M434 HydrophobicContact CD2-SD 3.64Å; Y369-M434 HydrophobicContact CE2-CE 3.41Å; Y369-M434 VanDerWaalsContact CE2-CE 3.41Å; Y369-M434 HydrophobicContact CE2-CG 4.02Å; Y369-M434 HydrophobicContact CE2-SD 3.75Å; Y369-M434 HydrophobicContact CG-SD 4.13Å; Y369-M434 PolarHBondContact N-O 2.9Å; Y369-P435 VanDerWaalsContact CE2-O 3.27Å; Y369-P435 WeakPolarHBondContact CE2-O 3.33Å; Y369-R436 HydrophobicContact CD2-CB 4.48Å
370Y98.6Very high96.5Very high19 Ų1934 Ų348%0.07519%0.185CC..Hα-helixtrans-63.3-41.5174.2-167.3-81.8000110.1V355 L356 L365 T368 V372 A373 H374 H427 G430 L431V355-Y370 HydrophobicContact CB-CE1 4.5Å; V355-Y370 HydrophobicContact CG1-CE1 4.4Å; L356-Y370 HydrophobicContact CD1-CD1 4Å; L356-Y370 HydrophobicContact CD1-CE1 4.2Å; L356-Y370 HydrophobicContact CD2-CD1 3.67Å; L356-Y370 HydrophobicContact CD2-CE1 4.03Å; L356-Y370 HydrophobicContact CG-CD1 3.85Å; L356-Y370 HydrophobicContact CG-CE1 3.82Å; L365-Y370 HydrophobicContact CD1-CD1 3.95Å; L365-Y370 HydrophobicContact CD1-CD2 4.18Å; L365-Y370 HydrophobicContact CD1-CE1 4.08Å; L365-Y370 HydrophobicContact CD1-CE2 4.31Å; L365-Y370 HydrophobicContact CD1-CG 3.98Å; L365-Y370 HydrophobicContact CD2-CD2 4.48Å; L365-Y370 HydrophobicContact CD2-CG 4.43Å; T368-Y370 PolarHBondContact O-N 3.47Å; T368-Y370 VanDerWaalsContact O-N 3.12Å; T368-Y370 WeakPolarHBondContact OG1-CB 3.35Å; T368-Y370 PolarHBondContact OG1-N 2.95Å; T368-Y370 VanDerWaalsContact OG1-N 3.17Å; Y370-V372 VanDerWaalsContact C-N 3.35Å; Y370-A373 PolarHBondContact O-N 3.4Å; Y370-H374 WeakPolarHBondContact O-CB 3.18Å; Y370-H374 PolarHBondContact O-N 2.93Å; Y370-H427 HydrophobicContact CD2-CB 4.29Å; Y370-H427 AromaticContact CD2-CD2 4Å; Y370-H427 HydrophobicContact CE2-CB 4.37Å; Y370-H427 AromaticContact CE2-CD2 3.8Å; Y370-G430 VanDerWaalsContact N-CA 3.26Å; Y370-L431 HydrophobicContact CD2-CD2 4.01Å; Y370-L431 HydrophobicContact CD2-CG 3.93Å; Y370-L431 HydrophobicContact CE2-CD2 3.98Å; Y370-L431 HydrophobicContact CE2-CG 4.11Å
371V98.1Very high96.1Very high23 Ų2329.7 Ų29.714%0.13916%0.155CC..Hα-helixtrans-67.5-37.9176.8-173.40000110.8L356 T368 Y369 A373 F375L356-V371 HydrophobicContact CD1-CB 4.46Å; L356-V371 HydrophobicContact CD1-CG1 4.47Å; L356-V371 HydrophobicContact CD1-CG2 4.15Å; L356-V371 HydrophobicContact CD2-CG2 3.96Å; T368-V371 PolarHBondContact O-N 3.09Å; T368-V371 VanDerWaalsContact O-N 3.16Å; Y369-V371 VanDerWaalsContact C-N 3.28Å; Y369-V371 PolarHBondContact O-N 3.33Å; V371-A373 VanDerWaalsContact C-N 3.35Å; V371-F375 WeakPolarHBondContact O-CB 3.4Å; V371-F375 PolarHBondContact O-N 3.03Å
372V97.9Very high95.9Very high29 Ų2927.2 Ų27.218%0.17614%0.14CC..Hα-helixtrans-60.9-46.6175.2-176.60000110.2Y369 Y370 F375 H376 R436Y369-V372 HydrophobicContact CD1-CB 4.27Å; Y369-V372 HydrophobicContact CD1-CG1 4.49Å; Y369-V372 HydrophobicContact CD1-CG2 4.36Å; Y369-V372 WeakPolarHBondContact O-CB 3.26Å; Y369-V372 PolarHBondContact O-N 2.67Å; Y370-V372 VanDerWaalsContact C-N 3.35Å; V372-F375 PolarHBondContact O-N 3.37Å; V372-H376 PolarHBondContact O-N 3.21Å; V372-H376 VanDerWaalsContact O-N 3.11Å; V372-H376 PolarHBondContact O-ND1 3.36Å; V372-R436 HydrophobicContact CG2-CB 3.77Å; V372-R436 HydrophobicContact CG2-CG 4.5Å
373A98.5Very high95.9Very high0 Ų026.9 Ų26.90%014%0.138CC..Hα-helixtrans-63.3-49.5179.400000111.8Y369 Y370 V371 F375 H376 Y377 F423 Q426 H427Y369-A373 WeakPolarHBondContact O-CB 3.11Å; Y369-A373 PolarHBondContact O-N 3.09Å; Y370-A373 PolarHBondContact O-N 3.4Å; V371-A373 VanDerWaalsContact C-N 3.35Å; A373-F375 VanDerWaalsContact C-N 3.33Å; A373-F375 PolarHBondContact O-N 3.47Å; A373-H376 PolarHBondContact O-N 3.06Å; A373-Y377 WeakPolarHBondContact O-CD2 3.37Å; A373-Y377 PolarHBondContact O-N 2.83Å; A373-F423 WeakPolarHBondContact CB-O 3.5Å; A373-Q426 HydrophobicContact CB-CB 3.7Å; A373-H427 HydrophobicContact CB-CB 4.45Å; A373-H427 WeakPolarHBondContact CB-CE1 3.23Å; A373-H427 WeakPolarHBondContact CB-ND1 3.26Å; A373-H427 WeakPolarHBondContact CB-NE2 3.48Å
374H98.1Very high96Very high38 Ų3824 Ų2418%0.17612%0.124CC..Hα-helixtrans-53-50.5175.216862.5000111.7G349 T352 G353 L356 Y370 H376 Y377 V378G349-H374 PolarHBondContact O-CE1 3.49Å; G349-H374 VanDerWaalsContact O-CE1 3.24Å; G349-H374 PolarHBondContact O-ND1 3.42Å; T352-H374 PolarHBondContact OG1-ND1 2.63Å; G353-H374 WeakPolarHBondContact CA-CE1 3.42Å; G353-H374 WeakPolarHBondContact CA-ND1 3.32Å; G353-H374 PolarHBondContact N-CE1 2.95Å; G353-H374 VanDerWaalsContact N-CE1 3.33Å; G353-H374 PolarHBondContact N-ND1 3.31Å; G353-H374 VanDerWaalsContact N-ND1 3.17Å; L356-H374 HydrophobicContact CD1-CB 3.64Å; Y370-H374 WeakPolarHBondContact O-CB 3.18Å; Y370-H374 PolarHBondContact O-N 2.93Å; H374-H376 VanDerWaalsContact C-N 3.34Å; H374-H376 PolarHBondContact O-N 2.99Å; H374-Y377 PolarHBondContact O-N 2.94Å; H374-V378 PolarHBondContact O-N 3.22Å; H374-V378 VanDerWaalsContact O-N 3.12Å
375F97.3Very high96.1Very high50 Ų5018 Ų1822%0.2199%0.094CC..Hα-helixtrans-61.5-40.8-177.3-164.6-112000112.3I64 W124 V241 V371 V372 A373 V378 L379I64-F375 HydrophobicContact CD1-CE1 4.35Å; I64-F375 HydrophobicContact CD1-CZ 4.14Å; W124-F375 HydrophobicContact CZ2-CZ 4.46Å; V241-F375 HydrophobicContact CG1-CE2 3.86Å; V371-F375 WeakPolarHBondContact O-CB 3.4Å; V371-F375 PolarHBondContact O-N 3.03Å; V372-F375 PolarHBondContact O-N 3.37Å; A373-F375 VanDerWaalsContact C-N 3.33Å; A373-F375 PolarHBondContact O-N 3.47Å; F375-V378 PolarHBondContact O-N 3.39Å; F375-L379 HydrophobicContact CD1-CD1 3.92Å; F375-L379 HydrophobicContact CD1-CG 4.48Å; F375-L379 HydrophobicContact CE1-CD1 3.27Å; F375-L379 HydrophobicContact CE1-CG 4.23Å; F375-L379 HydrophobicContact CE2-CD1 3.96Å; F375-L379 HydrophobicContact CE2-CG 4.41Å; F375-L379 HydrophobicContact CZ-CD1 3.29Å; F375-L379 HydrophobicContact CZ-CG 4.2Å; F375-L379 WeakPolarHBondContact O-CB 3.47Å; F375-L379 PolarHBondContact O-N 2.65Å
376H98Very high96.1Very high33 Ų3317.9 Ų17.915%0.1539%0.093CC..Hα-helixtrans-76.3-25.9178.3-70.686.6000113.5V372 A373 H374 V378 S380 M381 F423V372-H376 PolarHBondContact O-N 3.21Å; V372-H376 VanDerWaalsContact O-N 3.11Å; V372-H376 PolarHBondContact O-ND1 3.36Å; A373-H376 PolarHBondContact O-N 3.06Å; H374-H376 VanDerWaalsContact C-N 3.34Å; H374-H376 PolarHBondContact O-N 2.99Å; H376-V378 VanDerWaalsContact C-N 3.34Å; H376-S380 VanDerWaalsContact O-CA 3.29Å; H376-S380 WeakPolarHBondContact O-CA 3.21Å; H376-S380 WeakPolarHBondContact O-CB 3.13Å; H376-S380 PolarHBondContact O-N 2.94Å; H376-S380 PolarHBondContact O-OG 3.23Å; H376-M381 PolarHBondContact O-N 3.48Å; H376-M381 VanDerWaalsContact O-N 3.13Å; H376-F423 HydrophobicContact CB-CB 4.33Å; H376-F423 HydrophobicContact CB-CD1 3.34Å; H376-F423 HydrophobicContact CB-CD2 3.94Å; H376-F423 HydrophobicContact CB-CE1 3.46Å; H376-F423 VanDerWaalsContact CB-CE1 3.46Å; H376-F423 HydrophobicContact CB-CE2 4.03Å; H376-F423 HydrophobicContact CB-CG 3.6Å; H376-F423 HydrophobicContact CB-CZ 3.8Å; H376-F423 AromaticContact CD2-CE1 3.19Å; H376-F423 WeakPolarHBondContact CD2-CE1 3.41Å; H376-F423 AromaticContact CD2-CZ 3.3Å; H376-F423 WeakPolarHBondContact CD2-CZ 3.33Å; H376-F423 AromaticContact CG-CD1 3.56Å; H376-F423 AromaticContact CG-CE1 3.21Å; H376-F423 AromaticContact CG-CZ 3.68Å; H376-F423 AromaticContact ND1-CE1 3.83Å; H376-F423 AromaticContact NE2-CE1 3.81Å
377Y96.9Very high96.2Very high1 Ų116.8 Ų16.80%0.0049%0.088CC..Hα-helixtrans-63.6-41167.1-94.1-101.3000111.8L345 V348 A373 H374 M381 G382 N420 F423 F424 H427L345-Y377 HydrophobicContact CD2-CE1 4.06Å; V348-Y377 HydrophobicContact CB-CD1 4.14Å; V348-Y377 HydrophobicContact CB-CE1 4.16Å; V348-Y377 HydrophobicContact CG1-CD1 3.95Å; V348-Y377 HydrophobicContact CG1-CE1 3.77Å; A373-Y377 WeakPolarHBondContact O-CD2 3.37Å; A373-Y377 PolarHBondContact O-N 2.83Å; H374-Y377 PolarHBondContact O-N 2.94Å; Y377-M381 HydrophobicContact CD1-CE 3.91Å; Y377-M381 HydrophobicContact CD1-SD 3.57Å; Y377-M381 VanDerWaalsContact CD1-SD 3.57Å; Y377-M381 HydrophobicContact CD2-CE 3.31Å; Y377-M381 HydrophobicContact CD2-SD 4.1Å; Y377-M381 HydrophobicContact CE1-CE 3.96Å; Y377-M381 HydrophobicContact CE1-SD 3.41Å; Y377-M381 WeakPolarHBondContact CE1-SD 3.47Å; Y377-M381 HydrophobicContact CE2-CE 3.4Å; Y377-M381 VanDerWaalsContact CE2-CE 3.4Å; Y377-M381 HydrophobicContact CE2-SD 3.99Å; Y377-M381 HydrophobicContact CG-CE 3.57Å; Y377-M381 HydrophobicContact CG-SD 3.89Å; Y377-M381 CarbonylContact O-C 3.49Å; Y377-M381 WeakPolarHBondContact O-CB 3.4Å; Y377-M381 PolarHBondContact O-N 2.99Å; Y377-G382 PolarHBondContact O-N 3.41Å; Y377-N420 PolarHBondContact OH-OD1 3.32Å; Y377-F423 HydrophobicContact CD2-CB 4.14Å; Y377-F423 HydrophobicContact CE2-CB 3.91Å; Y377-F424 HydrophobicContact CE2-CB 4.45Å; Y377-F424 AromaticContact CZ-CD2 4Å; Y377-F424 VanDerWaalsContact OH-CB 3.32Å; Y377-F424 WeakPolarHBondContact OH-CB 3.42Å; Y377-F424 VanDerWaalsContact OH-CD2 3.29Å; Y377-F424 WeakPolarHBondContact OH-CD2 3.3Å; Y377-H427 AromaticContact CD2-CE1 3.59Å; Y377-H427 AromaticContact CE2-CE1 3.61Å
378V96.6Very high96.3Very high23 Ų2315.4 Ų15.414%0.1398%0.08CC..Hα-helixtrans-76-43178.8176.80000112.1F346 H374 F375 H376 G382 A383F346-V378 HydrophobicContact CE2-CG1 4.13Å; H374-V378 PolarHBondContact O-N 3.22Å; H374-V378 VanDerWaalsContact O-N 3.12Å; F375-V378 PolarHBondContact O-N 3.39Å; H376-V378 VanDerWaalsContact C-N 3.34Å; V378-G382 WeakPolarHBondContact O-CA 3.36Å; V378-G382 PolarHBondContact O-N 3.22Å; V378-A383 PolarHBondContact O-N 3.36Å; V378-A383 VanDerWaalsContact O-N 3.13Å
379L92.1Very high96.3Very high13 Ų1315 Ų157%0.0688%0.078CC..Iπ-helixtrans-88.4-46.9-177.4-69.4-167.2000114.3I64 L244 F375 A383 V384I64-L379 HydrophobicContact CG1-CD1 4.44Å; L244-L379 HydrophobicContact CB-CD2 3.87Å; L244-L379 HydrophobicContact CD1-CD1 3.98Å; L244-L379 HydrophobicContact CD1-CD2 3.62Å; L244-L379 HydrophobicContact CD1-CG 4.49Å; L244-L379 HydrophobicContact CG-CD2 4.4Å; F375-L379 HydrophobicContact CD1-CD1 3.92Å; F375-L379 HydrophobicContact CD1-CG 4.48Å; F375-L379 HydrophobicContact CE1-CD1 3.27Å; F375-L379 HydrophobicContact CE1-CG 4.23Å; F375-L379 HydrophobicContact CE2-CD1 3.96Å; F375-L379 HydrophobicContact CE2-CG 4.41Å; F375-L379 HydrophobicContact CZ-CD1 3.29Å; F375-L379 HydrophobicContact CZ-CG 4.2Å; F375-L379 WeakPolarHBondContact O-CB 3.47Å; F375-L379 PolarHBondContact O-N 2.65Å; L379-A383 HydrophobicContact CD2-CB 4.44Å; L379-A383 CarbonylContact O-C 3.55Å; L379-A383 WeakPolarHBondContact O-CA 3.26Å; L379-A383 VanDerWaalsContact O-CB 3.28Å; L379-A383 WeakPolarHBondContact O-CB 3.21Å; L379-A383 PolarHBondContact O-N 3.47Å; L379-A383 VanDerWaalsContact O-N 3.08Å; L379-V384 PolarHBondContact O-N 2.85Å
380S83Confident96.3Very high21 Ų2114.5 Ų14.515%0.1478%0.076CC..Iπ-helixtrans-76.4-53.5178.9-49.50000110.9H376 V384 F385H376-S380 VanDerWaalsContact O-CA 3.29Å; H376-S380 WeakPolarHBondContact O-CA 3.21Å; H376-S380 WeakPolarHBondContact O-CB 3.13Å; H376-S380 PolarHBondContact O-N 2.94Å; H376-S380 PolarHBondContact O-OG 3.23Å; S380-V384 VanDerWaalsContact O-CB 3.27Å; S380-V384 WeakPolarHBondContact O-CB 3.47Å; S380-V384 PolarHBondContact O-N 3.23Å; S380-F385 WeakPolarHBondContact O-CD2 3.36Å; S380-F385 PolarHBondContact O-N 3.43Å
381M88.5Confident96.3Very high0 Ų015.2 Ų15.20%08%0.08CC..Iπ-helixtrans-84.8-14.9-177.5-66162.9-108.700114.3L345 H376 Y377 F385 V419 F423L345-M381 HydrophobicContact CB-CB 3.58Å; L345-M381 HydrophobicContact CB-CG 4.18Å; L345-M381 HydrophobicContact CB-SD 4.07Å; L345-M381 HydrophobicContact CD1-CB 3.86Å; L345-M381 HydrophobicContact CD1-CG 3.67Å; L345-M381 HydrophobicContact CD1-SD 3.79Å; L345-M381 HydrophobicContact CD2-SD 4.11Å; L345-M381 HydrophobicContact CG-CB 4.33Å; L345-M381 HydrophobicContact CG-CG 4.46Å; L345-M381 HydrophobicContact CG-SD 4.2Å; H376-M381 PolarHBondContact O-N 3.48Å; H376-M381 VanDerWaalsContact O-N 3.13Å; Y377-M381 HydrophobicContact CD1-CE 3.91Å; Y377-M381 HydrophobicContact CD1-SD 3.57Å; Y377-M381 VanDerWaalsContact CD1-SD 3.57Å; Y377-M381 HydrophobicContact CD2-CE 3.31Å; Y377-M381 HydrophobicContact CD2-SD 4.1Å; Y377-M381 HydrophobicContact CE1-CE 3.96Å; Y377-M381 HydrophobicContact CE1-SD 3.41Å; Y377-M381 WeakPolarHBondContact CE1-SD 3.47Å; Y377-M381 HydrophobicContact CE2-CE 3.4Å; Y377-M381 VanDerWaalsContact CE2-CE 3.4Å; Y377-M381 HydrophobicContact CE2-SD 3.99Å; Y377-M381 HydrophobicContact CG-CE 3.57Å; Y377-M381 HydrophobicContact CG-SD 3.89Å; Y377-M381 CarbonylContact O-C 3.49Å; Y377-M381 WeakPolarHBondContact O-CB 3.4Å; Y377-M381 PolarHBondContact O-N 2.99Å; M381-F385 HydrophobicContact CG-CE2 4.25Å; M381-F385 VanDerWaalsContact O-CB 3.27Å; M381-F385 WeakPolarHBondContact O-CB 3.08Å; M381-F385 WeakPolarHBondContact O-CG 3.37Å; M381-V419 HydrophobicContact CE-CB 4.5Å; M381-V419 HydrophobicContact CG-CB 4.23Å; M381-V419 HydrophobicContact CG-CG2 3.67Å; M381-V419 HydrophobicContact SD-CG2 4.07Å; M381-F423 HydrophobicContact CE-CB 3.74Å; M381-F423 HydrophobicContact CE-CD2 3.67Å; M381-F423 HydrophobicContact CE-CG 4.09Å
382G92.7Very high96.3Very high0 Ų014.9 Ų14.90%08%0.077CC..Iπ-helixtrans-91.3-80.6166.200000111.1F342 Y377 V378 V384 F385 A386F342-G382 WeakPolarHBondContact CD2-O 3.37Å; F342-G382 WeakPolarHBondContact CE2-O 3.46Å; Y377-G382 PolarHBondContact O-N 3.41Å; V378-G382 WeakPolarHBondContact O-CA 3.36Å; V378-G382 PolarHBondContact O-N 3.22Å; G382-V384 PolarHBondContact O-N 2.94Å; G382-F385 PolarHBondContact O-N 3.14Å; G382-A386 WeakPolarHBondContact O-CB 3.39Å; G382-A386 PolarHBondContact O-N 3.26Å
383A96.9Very high96.2Very high0 Ų014.2 Ų14.20%07%0.072CC..Iπ-helixtrans-61.2-49.2-170.500000113.2V68 I245 V378 L379 F385 A386 I387V68-A383 HydrophobicContact CG1-CB 3.79Å; I245-A383 HydrophobicContact CD1-CB 4.05Å; V378-A383 PolarHBondContact O-N 3.36Å; V378-A383 VanDerWaalsContact O-N 3.13Å; L379-A383 HydrophobicContact CD2-CB 4.44Å; L379-A383 CarbonylContact O-C 3.55Å; L379-A383 WeakPolarHBondContact O-CA 3.26Å; L379-A383 VanDerWaalsContact O-CB 3.28Å; L379-A383 WeakPolarHBondContact O-CB 3.21Å; L379-A383 PolarHBondContact O-N 3.47Å; L379-A383 VanDerWaalsContact O-N 3.08Å; A383-F385 PolarHBondContact O-N 3.18Å; A383-A386 WeakPolarHBondContact O-CB 3.27Å; A383-A386 PolarHBondContact O-N 2.87Å; A383-I387 WeakPolarHBondContact O-CG1 3.12Å; A383-I387 PolarHBondContact O-N 3.01Å
384V97.9Very high96.2Very high24 Ų2414.2 Ų14.215%0.1457%0.072CC..Iπ-helixtrans-67-37.4-179.4-178.80000111.9M67 V68 L379 S380 G382 A386 I387 M388M67-V384 HydrophobicContact CE-CG1 4.23Å; M67-V384 HydrophobicContact CE-CG2 3.94Å; V68-V384 HydrophobicContact CG2-CG2 4.26Å; L379-V384 PolarHBondContact O-N 2.85Å; S380-V384 VanDerWaalsContact O-CB 3.27Å; S380-V384 WeakPolarHBondContact O-CB 3.47Å; S380-V384 PolarHBondContact O-N 3.23Å; G382-V384 PolarHBondContact O-N 2.94Å; V384-A386 VanDerWaalsContact C-N 3.32Å; V384-A386 PolarHBondContact O-N 2.69Å; V384-I387 WeakPolarHBondContact O-CB 3.18Å; V384-I387 PolarHBondContact O-N 2.56Å; V384-M388 HydrophobicContact CG1-CG 4.37Å; V384-M388 VanDerWaalsContact O-CG 3.29Å; V384-M388 WeakPolarHBondContact O-CG 3.32Å; V384-M388 PolarHBondContact O-N 2.94Å
385F98.4Very high96.1Very high1 Ų112.6 Ų12.60%0.0046%0.064CC..Hα-helixtrans-63.2-38.8173.1-88.1-131.1000112.2W338 F342 L345 S380 M381 G382 A383 M388 A389 F412 F416 V419W338-F385 HydrophobicContact CE3-CB 4.13Å; W338-F385 AromaticContact CE3-CD1 3.66Å; W338-F385 HydrophobicContact CE3-CD1 3.66Å; W338-F385 HydrophobicContact CE3-CD2 4.19Å; W338-F385 HydrophobicContact CE3-CE1 4.04Å; W338-F385 AromaticContact CE3-CG 3.74Å; W338-F385 HydrophobicContact CE3-CG 3.74Å; W338-F385 HydrophobicContact CE3-CZ 4.46Å; W338-F385 HydrophobicContact CZ3-CB 4.42Å; W338-F385 AromaticContact CZ3-CD1 3.86Å; W338-F385 HydrophobicContact CZ3-CD1 3.86Å; W338-F385 AromaticContact CZ3-CD2 3.69Å; W338-F385 HydrophobicContact CZ3-CD2 3.69Å; W338-F385 AromaticContact CZ3-CE1 3.95Å; W338-F385 HydrophobicContact CZ3-CE1 3.95Å; W338-F385 AromaticContact CZ3-CE2 3.77Å; W338-F385 HydrophobicContact CZ3-CE2 3.77Å; W338-F385 AromaticContact CZ3-CG 3.73Å; W338-F385 HydrophobicContact CZ3-CG 3.73Å; W338-F385 AromaticContact CZ3-CZ 3.9Å; W338-F385 HydrophobicContact CZ3-CZ 3.9Å; F342-F385 HydrophobicContact CB-CB 4.29Å; L345-F385 HydrophobicContact CD1-CD1 4.5Å; L345-F385 HydrophobicContact CD1-CE1 3.82Å; L345-F385 HydrophobicContact CD1-CZ 3.98Å; S380-F385 WeakPolarHBondContact O-CD2 3.36Å; S380-F385 PolarHBondContact O-N 3.43Å; M381-F385 HydrophobicContact CG-CE2 4.25Å; M381-F385 VanDerWaalsContact O-CB 3.27Å; M381-F385 WeakPolarHBondContact O-CB 3.08Å; M381-F385 WeakPolarHBondContact O-CG 3.37Å; G382-F385 PolarHBondContact O-N 3.14Å; A383-F385 PolarHBondContact O-N 3.18Å; F385-M388 PolarHBondContact O-N 3.39Å; F385-A389 WeakPolarHBondContact O-CB 3.21Å; F385-A389 PolarHBondContact O-N 3.48Å; F385-F412 HydrophobicContact CE1-CE2 4.23Å; F385-F416 HydrophobicContact CE1-CD2 4.2Å; F385-V419 HydrophobicContact CE2-CG1 4.47Å; F385-V419 HydrophobicContact CE2-CG2 3.94Å; F385-V419 HydrophobicContact CZ-CG2 3.91Å
386A98.6Very high96.1Very high0 Ų011.6 Ų11.60%06%0.062CC..Hα-helixtrans-65.4-39.8174.200000111.8M251 I252 F342 G382 A383 V384 M388 A389 G390M251-A386 HydrophobicContact CE-CB 4.2Å; I252-A386 HydrophobicContact CD1-CB 4.37Å; I252-A386 HydrophobicContact CG1-CB 4.16Å; F342-A386 HydrophobicContact CD2-CB 3.99Å; F342-A386 HydrophobicContact CE2-CB 4.02Å; G382-A386 WeakPolarHBondContact O-CB 3.39Å; G382-A386 PolarHBondContact O-N 3.26Å; A383-A386 WeakPolarHBondContact O-CB 3.27Å; A383-A386 PolarHBondContact O-N 2.87Å; V384-A386 VanDerWaalsContact C-N 3.32Å; V384-A386 PolarHBondContact O-N 2.69Å; A386-M388 VanDerWaalsContact C-N 3.35Å; A386-A389 PolarHBondContact O-N 3.36Å; A386-G390 PolarHBondContact O-N 3.02Å
387I98.7Very high95.9Very high11 Ų1110 Ų106%0.0566%0.055CC..Hα-helixtrans-56.4-50.3171.1-70.3171.3000110.2V68 I71 M72 F76 A383 V384 G390 F391V68-I387 HydrophobicContact CG1-CD1 4.42Å; I71-I387 HydrophobicContact CB-CD1 4.07Å; I71-I387 HydrophobicContact CD1-CD1 4.5Å; I71-I387 HydrophobicContact CG2-CB 4.31Å; I71-I387 HydrophobicContact CG2-CD1 3.83Å; I71-I387 HydrophobicContact CG2-CG1 3.83Å; I71-I387 HydrophobicContact CG2-CG2 3.57Å; M72-I387 HydrophobicContact CG-CD1 3.92Å; M72-I387 HydrophobicContact CG-CG1 3.85Å; M72-I387 HydrophobicContact SD-CD1 4.01Å; M72-I387 HydrophobicContact SD-CG1 3.26Å; M72-I387 WeakPolarHBondContact SD-CG1 3.28Å; F76-I387 HydrophobicContact CE2-CG2 4.39Å; A383-I387 WeakPolarHBondContact O-CG1 3.12Å; A383-I387 PolarHBondContact O-N 3.01Å; V384-I387 WeakPolarHBondContact O-CB 3.18Å; V384-I387 PolarHBondContact O-N 2.56Å; I387-G390 PolarHBondContact O-N 3.42Å; I387-F391 VanDerWaalsContact O-CB 3.27Å; I387-F391 WeakPolarHBondContact O-CB 3.5Å; I387-F391 PolarHBondContact O-N 2.98Å
388M98.4Very high95.9Very high19 Ų1910.8 Ų10.89%0.0946%0.059CC..Hα-helixtrans-64.1-44.2-178.5-68.2-51.1-54.700111.8W338 V384 F385 A386 F391 I392 F466W338-M388 HydrophobicContact CD2-CB 3.76Å; W338-M388 HydrophobicContact CE3-CB 3.58Å; W338-M388 HydrophobicContact CE3-CG 4.26Å; W338-M388 HydrophobicContact CG-CB 4.46Å; W338-M388 HydrophobicContact CH2-CB 4Å; W338-M388 HydrophobicContact CH2-CG 3.92Å; W338-M388 HydrophobicContact CZ2-CB 4.17Å; W338-M388 HydrophobicContact CZ2-CG 4.4Å; W338-M388 HydrophobicContact CZ3-CB 3.69Å; W338-M388 HydrophobicContact CZ3-CG 3.83Å; V384-M388 HydrophobicContact CG1-CG 4.37Å; V384-M388 VanDerWaalsContact O-CG 3.29Å; V384-M388 WeakPolarHBondContact O-CG 3.32Å; V384-M388 PolarHBondContact O-N 2.94Å; F385-M388 PolarHBondContact O-N 3.39Å; A386-M388 VanDerWaalsContact C-N 3.35Å; M388-F391 PolarHBondContact O-N 2.93Å; M388-I392 HydrophobicContact CE-CD1 4.48Å; M388-I392 WeakPolarHBondContact O-CB 3.29Å; M388-I392 WeakPolarHBondContact O-CD1 3.41Å; M388-I392 VanDerWaalsContact O-CG1 3.27Å; M388-I392 WeakPolarHBondContact O-CG1 3.34Å; M388-I392 PolarHBondContact O-N 3.24Å; M388-F466 HydrophobicContact CE-CD1 3.64Å; M388-F466 HydrophobicContact CE-CD2 3.55Å; M388-F466 HydrophobicContact CE-CE1 3.4Å; M388-F466 HydrophobicContact CE-CE2 3.33Å; M388-F466 HydrophobicContact CE-CG 3.69Å; M388-F466 HydrophobicContact CE-CZ 3.23Å; M388-F466 HydrophobicContact SD-CD1 4.29Å; M388-F466 HydrophobicContact SD-CE1 3.96Å; M388-F466 HydrophobicContact SD-CZ 4.24Å
389A98.5Very high95.8Very high0 Ų012 Ų120%07%0.066CC..Hα-helixtrans-58.7-51.3176.100000110.7I252 I255 W338 F385 A386 H393I252-A389 HydrophobicContact CD1-CB 3.86Å; I255-A389 VanDerWaalsContact CD1-C 3.46Å; I255-A389 HydrophobicContact CD1-CB 3.57Å; I255-A389 WeakPolarHBondContact CD1-O 3.02Å; W338-A389 HydrophobicContact CB-CB 3.59Å; F385-A389 WeakPolarHBondContact O-CB 3.21Å; F385-A389 PolarHBondContact O-N 3.48Å; A386-A389 PolarHBondContact O-N 3.36Å; A389-H393 VanDerWaalsContact O-CB 3.22Å; A389-H393 WeakPolarHBondContact O-CB 3.46Å; A389-H393 PolarHBondContact O-N 3.27Å
390G98.3Very high95.9Very high0 Ų011.3 Ų11.30%06%0.063CC..Hα-helixtrans-62.7-45.2179.600000112.2A386 I387 I392 H393 W394A386-G390 PolarHBondContact O-N 3.02Å; I387-G390 PolarHBondContact O-N 3.42Å; G390-I392 PolarHBondContact O-N 3.25Å; G390-H393 PolarHBondContact O-N 2.84Å; G390-W394 VanDerWaalsContact CA-CZ3 3.44Å; G390-W394 PolarHBondContact O-N 3.41Å
391F98.4Very high96.6Very high34 Ų3410.5 Ų10.515%0.1496%0.057CC..Hα-helixtrans-63.6-47.8-177.7-174-89.9000109.9F76 I387 M388 H393 Y395 F466 I470F76-F391 HydrophobicContact CZ-CB 4.05Å; F76-F391 VanDerWaalsContact CZ-N 3.31Å; I387-F391 VanDerWaalsContact O-CB 3.27Å; I387-F391 WeakPolarHBondContact O-CB 3.5Å; I387-F391 PolarHBondContact O-N 2.98Å; M388-F391 PolarHBondContact O-N 2.93Å; F391-H393 VanDerWaalsContact C-N 3.28Å; F391-H393 PolarHBondContact O-N 2.99Å; F391-Y395 HydrophobicContact CD1-CD2 4.21Å; F391-Y395 AromaticContact CE1-CD2 3.39Å; F391-Y395 HydrophobicContact CE1-CD2 3.39Å; F391-Y395 AromaticContact CE1-CE2 3.96Å; F391-Y395 HydrophobicContact CE1-CE2 3.96Å; F391-Y395 HydrophobicContact CE1-CG 4.34Å; F391-Y395 HydrophobicContact CE2-CD2 4.5Å; F391-Y395 AromaticContact CZ-CD2 3.58Å; F391-Y395 HydrophobicContact CZ-CD2 3.58Å; F391-Y395 AromaticContact CZ-CE2 3.98Å; F391-Y395 HydrophobicContact CZ-CE2 3.98Å; F391-Y395 WeakPolarHBondContact O-CA 3.47Å; F391-Y395 WeakPolarHBondContact O-CB 3.19Å; F391-Y395 PolarHBondContact O-N 2.9Å; F391-F466 HydrophobicContact CD1-CE1 4.5Å; F391-F466 HydrophobicContact CD1-CE2 4.46Å; F391-F466 AromaticContact CD1-CZ 3.62Å; F391-F466 HydrophobicContact CD1-CZ 3.62Å; F391-F466 AromaticContact CE1-CZ 3.84Å; F391-F466 HydrophobicContact CE1-CZ 3.84Å; F391-I470 HydrophobicContact CE1-CD1 3.81Å; F391-I470 HydrophobicContact CE1-CG1 4.16Å; F391-I470 HydrophobicContact CZ-CD1 4.09Å
392I98Very high97Very high16 Ų1612.8 Ų12.88%0.0827%0.071CC..Hα-helixtrans-60.9-39.6177.6-70.1165.4000111.5P334 W338 M388 G390 L403 L408 F466P334-I392 HydrophobicContact CB-CG2 3.93Å; W338-I392 VanDerWaalsContact CD1-CD1 3.49Å; W338-I392 HydrophobicContact CG-CD1 4.44Å; W338-I392 VanDerWaalsContact NE1-CD1 3.3Å; M388-I392 HydrophobicContact CE-CD1 4.48Å; M388-I392 WeakPolarHBondContact O-CB 3.29Å; M388-I392 WeakPolarHBondContact O-CD1 3.41Å; M388-I392 VanDerWaalsContact O-CG1 3.27Å; M388-I392 WeakPolarHBondContact O-CG1 3.34Å; M388-I392 PolarHBondContact O-N 3.24Å; G390-I392 PolarHBondContact O-N 3.25Å; I392-L403 HydrophobicContact CG1-CD1 4.36Å; I392-L408 HydrophobicContact CD1-CD2 3.88Å; I392-L408 HydrophobicContact CG1-CD1 4.39Å; I392-L408 HydrophobicContact CG1-CD2 4.04Å; I392-L408 HydrophobicContact CG2-CD1 3.78Å; I392-F466 HydrophobicContact CG1-CE2 4.39Å
393H96.7Very high97.2Very high15 Ų1513.6 Ų13.67%0.0698%0.075CC..Hα-helixtrans-68.8-47.3-178.5-177.481.6000112.9I255 Q258 A335 A389 G390 F391I255-H393 HydrophobicContact CD1-CB 4.01Å; I255-H393 HydrophobicContact CG1-CB 3.92Å; Q258-H393 PolarHBondContact NE2-CE1 2.65Å; Q258-H393 VanDerWaalsContact NE2-CE1 3.32Å; Q258-H393 PolarHBondContact OE1-CE1 2.82Å; Q258-H393 PolarHBondContact OE1-NE2 3.27Å; A335-H393 HydrophobicContact CB-CB 4.25Å; A389-H393 VanDerWaalsContact O-CB 3.22Å; A389-H393 WeakPolarHBondContact O-CB 3.46Å; A389-H393 PolarHBondContact O-N 3.27Å; G390-H393 PolarHBondContact O-N 2.84Å; F391-H393 VanDerWaalsContact C-N 3.28Å; F391-H393 PolarHBondContact O-N 2.99Å
394W97.3Very high97.2Very high0 Ų015.8 Ų15.80%09%0.086CC..Hα-helixtrans-93.9-1-179-69.4-72.2000114.3F76 L80 M84 M251 H254 I255 G390 P396 L397 F398 W492F76-W394 HydrophobicContact CD1-CE3 4.16Å; F76-W394 AromaticContact CE1-CE3 3.94Å; F76-W394 HydrophobicContact CE1-CE3 3.94Å; L80-W394 HydrophobicContact CD1-CD2 3.72Å; L80-W394 HydrophobicContact CD1-CE3 3.86Å; L80-W394 HydrophobicContact CD1-CG 4.28Å; L80-W394 HydrophobicContact CD1-CH2 4.42Å; L80-W394 HydrophobicContact CD1-CZ2 4.21Å; L80-W394 HydrophobicContact CD1-CZ3 4.23Å; L80-W394 HydrophobicContact CD2-CD2 4.28Å; L80-W394 HydrophobicContact CD2-CG 4.01Å; M84-W394 HydrophobicContact CE-CZ2 4.04Å; M251-W394 HydrophobicContact CB-CH2 3.98Å; M251-W394 HydrophobicContact CB-CZ3 3.79Å; M251-W394 HydrophobicContact CG-CH2 4.01Å; M251-W394 HydrophobicContact CG-CZ3 3.62Å; M251-W394 HydrophobicContact SD-CZ3 3.96Å; H254-W394 HydrophobicContact CB-CH2 4.11Å; H254-W394 HydrophobicContact CB-CZ2 3.93Å; I255-W394 HydrophobicContact CG1-CH2 4.35Å; G390-W394 VanDerWaalsContact CA-CZ3 3.44Å; G390-W394 PolarHBondContact O-N 3.41Å; W394-P396 VanDerWaalsContact C-CD 3.44Å; W394-P396 VanDerWaalsContact C-N 3.31Å; W394-L397 WeakPolarHBondContact O-CA 3.35Å; W394-L397 VanDerWaalsContact O-CB 3.3Å; W394-L397 WeakPolarHBondContact O-CB 3.43Å; W394-L397 PolarHBondContact O-N 3.42Å; W394-F398 HydrophobicContact CB-CD1 4.33Å; W394-F398 HydrophobicContact CB-CD2 4.33Å; W394-F398 HydrophobicContact CB-CE1 3.68Å; W394-F398 HydrophobicContact CB-CE2 3.68Å; W394-F398 HydrophobicContact CB-CZ 3.32Å; W394-F398 HydrophobicContact CG-CE1 4.45Å; W394-F398 HydrophobicContact CG-CZ 4.18Å; W394-F398 WeakPolarHBondContact O-CG 3.34Å; W394-F398 PolarHBondContact O-N 3.1Å; W394-W492 AromaticContact CD1-CZ2 3.7Å
395Y97.1Very high97.1Very high3 Ų319.5 Ų19.51%0.01211%0.106CC..Hα-helixtrans-51.7-42.5176.1-177.4-92.7000113.6F391 L397 F398 T399 L401 L403 S473F391-Y395 HydrophobicContact CD1-CD2 4.21Å; F391-Y395 AromaticContact CE1-CD2 3.39Å; F391-Y395 HydrophobicContact CE1-CD2 3.39Å; F391-Y395 AromaticContact CE1-CE2 3.96Å; F391-Y395 HydrophobicContact CE1-CE2 3.96Å; F391-Y395 HydrophobicContact CE1-CG 4.34Å; F391-Y395 HydrophobicContact CE2-CD2 4.5Å; F391-Y395 AromaticContact CZ-CD2 3.58Å; F391-Y395 HydrophobicContact CZ-CD2 3.58Å; F391-Y395 AromaticContact CZ-CE2 3.98Å; F391-Y395 HydrophobicContact CZ-CE2 3.98Å; F391-Y395 WeakPolarHBondContact O-CA 3.47Å; F391-Y395 WeakPolarHBondContact O-CB 3.19Å; F391-Y395 PolarHBondContact O-N 2.9Å; Y395-L397 VanDerWaalsContact C-N 3.3Å; Y395-L397 PolarHBondContact O-N 3.28Å; Y395-F398 PolarHBondContact O-N 3.21Å; Y395-T399 HydrophobicContact CD2-CG2 4.16Å; Y395-T399 WeakPolarHBondContact CE1-OG1 3.47Å; Y395-T399 HydrophobicContact CE2-CG2 3.81Å; Y395-T399 PolarHBondContact O-N 3.31Å; Y395-T399 PolarHBondContact O-OG1 2.83Å; Y395-L401 WeakPolarHBondContact CD1-O 3.17Å; Y395-L401 HydrophobicContact CE1-CB 3.88Å; Y395-L403 HydrophobicContact CD1-CD1 3.88Å; Y395-L403 HydrophobicContact CD1-CD2 4.04Å; Y395-L403 HydrophobicContact CD1-CG 3.52Å; Y395-L403 HydrophobicContact CD2-CD1 4.2Å; Y395-L403 HydrophobicContact CD2-CD2 4.43Å; Y395-L403 HydrophobicContact CD2-CG 4.43Å; Y395-L403 HydrophobicContact CE1-CD1 4.4Å; Y395-L403 HydrophobicContact CE1-CD2 3.69Å; Y395-L403 HydrophobicContact CE1-CG 3.66Å; Y395-L403 HydrophobicContact CE2-CD2 4.13Å; Y395-L403 HydrophobicContact CG-CD1 3.75Å; Y395-L403 HydrophobicContact CG-CD2 4.37Å; Y395-L403 HydrophobicContact CG-CG 3.92Å; Y395-S473 VanDerWaalsContact CE1-OG 3.3Å; Y395-S473 WeakPolarHBondContact CE1-OG 3.33Å; Y395-S473 WeakPolarHBondContact OH-CB 3.39Å; Y395-S473 PolarHBondContact OH-OG 3.02Å
396P96Very high97.1Very high29 Ų2927.1 Ų27.119%0.18814%0.139CC..Hα-helixtrans-57.8-38.6172.1-27.939000113.7W394 G400 L401 V480 W492W394-P396 VanDerWaalsContact C-CD 3.44Å; W394-P396 VanDerWaalsContact C-N 3.31Å; P396-G400 WeakPolarHBondContact O-CA 3.29Å; P396-G400 PolarHBondContact O-N 3.41Å; P396-L401 WeakPolarHBondContact CA-O 3.3Å; P396-V480 HydrophobicContact CB-CG2 3.65Å; P396-W492 HydrophobicContact CB-CH2 4.24Å; P396-W492 HydrophobicContact CB-CZ3 4.23Å
397L95.3Very high97.1Very high0 Ų030.6 Ų30.60%015%0.152CC..Hα-helixtrans-69.3-42.4177.4-175.565.5000111.3L80 L83 W394 Y395 E491 W492 T496 P497 P498L80-L397 HydrophobicContact CD2-CD2 4.06Å; L83-L397 HydrophobicContact CD1-CD2 4.18Å; W394-L397 WeakPolarHBondContact O-CA 3.35Å; W394-L397 VanDerWaalsContact O-CB 3.3Å; W394-L397 WeakPolarHBondContact O-CB 3.43Å; W394-L397 PolarHBondContact O-N 3.42Å; Y395-L397 VanDerWaalsContact C-N 3.3Å; Y395-L397 PolarHBondContact O-N 3.28Å; L397-E491 HydrophobicContact CD2-CB 4.21Å; L397-E491 HydrophobicContact CD2-CG 4Å; L397-W492 HydrophobicContact CB-CE3 4.27Å; L397-W492 HydrophobicContact CB-CH2 3.79Å; L397-W492 HydrophobicContact CB-CZ2 4.41Å; L397-W492 HydrophobicContact CB-CZ3 3.71Å; L397-W492 HydrophobicContact CD1-CE3 4.17Å; L397-W492 HydrophobicContact CD1-CZ3 4.4Å; L397-T496 HydrophobicContact CD1-CG2 4.39Å; L397-P497 WeakPolarHBondContact O-CA 3.36Å; L397-P498 HydrophobicContact CD1-CG 3.92Å; L397-P498 HydrophobicContact CG-CG 4.48Å; L397-P498 VanDerWaalsContact O-CD 3.25Å; L397-P498 WeakPolarHBondContact O-CD 3.14Å
398F95.6Very high97.1Very high18 Ų1830.1 Ų30.18%0.07915%0.15CC..Hα-helixtrans-71.2-35.5-176.5-56.7-24.9000113F18 F76 W79 L80 W394 Y395F18-F398 HydrophobicContact CE2-CD2 4Å; F18-F398 AromaticContact CE2-CE2 3.67Å; F18-F398 HydrophobicContact CE2-CE2 3.67Å; F18-F398 HydrophobicContact CE2-CZ 4.09Å; F18-F398 AromaticContact CZ-CE2 3.81Å; F18-F398 HydrophobicContact CZ-CE2 3.81Å; F18-F398 HydrophobicContact CZ-CZ 4.14Å; F76-F398 HydrophobicContact CD1-CE2 4.38Å; F76-F398 HydrophobicContact CD1-CZ 4Å; F76-F398 AromaticContact CE1-CE2 3.98Å; F76-F398 HydrophobicContact CE1-CE2 3.98Å; F76-F398 HydrophobicContact CE1-CZ 4.01Å; W79-F398 HydrophobicContact CB-CD1 4.4Å; W79-F398 HydrophobicContact CB-CE1 3.76Å; W79-F398 HydrophobicContact CB-CZ 4.29Å; W79-F398 AromaticContact CD2-CD1 3.53Å; W79-F398 HydrophobicContact CD2-CD1 3.53Å; W79-F398 AromaticContact CD2-CE1 3.83Å; W79-F398 HydrophobicContact CD2-CE1 3.83Å; W79-F398 HydrophobicContact CD2-CG 4.3Å; W79-F398 AromaticContact CE2-CD1 3.99Å; W79-F398 AromaticContact CE3-CD1 3.5Å; W79-F398 HydrophobicContact CE3-CD1 3.5Å; W79-F398 AromaticContact CE3-CE1 3.94Å; W79-F398 HydrophobicContact CE3-CE1 3.94Å; W79-F398 AromaticContact CG-CD1 3.95Å; W79-F398 HydrophobicContact CG-CD1 3.95Å; W79-F398 AromaticContact CG-CE1 3.78Å; W79-F398 HydrophobicContact CG-CE1 3.78Å; W79-F398 HydrophobicContact CG-CZ 4.4Å; W79-F398 HydrophobicContact CH2-CB 4.3Å; W79-F398 HydrophobicContact CH2-CD1 4.36Å; W79-F398 HydrophobicContact CZ2-CB 4.2Å; W79-F398 HydrophobicContact CZ2-CD1 4.39Å; W79-F398 AromaticContact CZ3-CD1 3.93Å; W79-F398 HydrophobicContact CZ3-CD1 3.93Å; L80-F398 HydrophobicContact CD2-CE1 3.95Å; L80-F398 HydrophobicContact CD2-CZ 4.36Å; L80-F398 HydrophobicContact CG-CE1 4.46Å; W394-F398 HydrophobicContact CB-CD1 4.33Å; W394-F398 HydrophobicContact CB-CD2 4.33Å; W394-F398 HydrophobicContact CB-CE1 3.68Å; W394-F398 HydrophobicContact CB-CE2 3.68Å; W394-F398 HydrophobicContact CB-CZ 3.32Å; W394-F398 HydrophobicContact CG-CE1 4.45Å; W394-F398 HydrophobicContact CG-CZ 4.18Å; W394-F398 WeakPolarHBondContact O-CG 3.34Å; W394-F398 PolarHBondContact O-N 3.1Å; Y395-F398 PolarHBondContact O-N 3.21Å
399T95.4Very high97.1Very high47 Ų4733.2 Ų33.229%0.28816%0.162SC..Hα-helixtrans-119.1-17.9-168.963.70000114.6Y395 L401Y395-T399 HydrophobicContact CD2-CG2 4.16Å; Y395-T399 WeakPolarHBondContact CE1-OG1 3.47Å; Y395-T399 HydrophobicContact CE2-CG2 3.81Å; Y395-T399 PolarHBondContact O-N 3.31Å; Y395-T399 PolarHBondContact O-OG1 2.83Å; T399-L401 PolarHBondContact O-N 3.14Å; T399-L401 WeakPolarHBondContact OG1-CB 3.23Å; T399-L401 PolarHBondContact OG1-N 3.33Å; T399-L401 VanDerWaalsContact OG1-N 3.16Å
400G95.2Very high97.1Very high0 Ų035.5 Ų35.50%018%0.179CC..SBendtrans73.15.5-167.200000114.2P396 Q479 V480 T496P396-G400 WeakPolarHBondContact O-CA 3.29Å; P396-G400 PolarHBondContact O-N 3.41Å; G400-Q479 WeakPolarHBondContact O-CA 3.34Å; G400-Q479 PolarHBondContact O-OE1 3.15Å; G400-V480 WeakPolarHBondContact O-CG2 3.37Å; G400-V480 PolarHBondContact O-N 3Å; G400-T496 VanDerWaalsContact CA-O 3.27Å; G400-T496 WeakPolarHBondContact CA-O 3.44Å
401L96.7Very high97.1Very high4 Ų435.7 Ų35.72%0.02118%0.179CC..BIsolated β-bridgetrans-112.6163.6-173.8-58.4-179.8000113.1Y395 P396 T399 L474 Q477 R478Y395-L401 WeakPolarHBondContact CD1-O 3.17Å; Y395-L401 HydrophobicContact CE1-CB 3.88Å; P396-L401 WeakPolarHBondContact CA-O 3.3Å; T399-L401 PolarHBondContact O-N 3.14Å; T399-L401 WeakPolarHBondContact OG1-CB 3.23Å; T399-L401 PolarHBondContact OG1-N 3.33Å; T399-L401 VanDerWaalsContact OG1-N 3.16Å; L401-L474 HydrophobicContact CD1-CD2 4Å; L401-Q477 HydrophobicContact CD2-CB 4.46Å; L401-R478 CarbonylContact C-O 3.53Å; L401-R478 WeakPolarHBondContact CA-O 3.29Å
402T96.5Very high97.1Very high48 Ų4835.1 Ų35.129%0.29418%0.177SC..  trans-116132179.358.10000112.8S473 R478 V480T402-S473 PolarHBondContact O-OG 3.34Å; T402-R478 PolarHBondContact N-O 2.79Å; T402-R478 PolarHBondContact O-NE 2.91Å; T402-R478 PolarHBondContact O-NH2 3.47Å; T402-R478 VanDerWaalsContact OG1-CB 3.31Å; T402-R478 WeakPolarHBondContact OG1-CB 3.35Å; T402-R478 PolarHBondContact OG1-O 3.4Å; T402-R478 VanDerWaalsContact OG1-O 3.08Å; T402-V480 HydrophobicContact CG2-CG2 3.8Å
403L96.9Very high97.1Very high17 Ų1739 Ų399%0.08920%0.196CC..  trans-81150.7172.7-62.5166.1000110.7I392 Y395 N405 L408 I469 I470I392-L403 HydrophobicContact CG1-CD1 4.36Å; Y395-L403 HydrophobicContact CD1-CD1 3.88Å; Y395-L403 HydrophobicContact CD1-CD2 4.04Å; Y395-L403 HydrophobicContact CD1-CG 3.52Å; Y395-L403 HydrophobicContact CD2-CD1 4.2Å; Y395-L403 HydrophobicContact CD2-CD2 4.43Å; Y395-L403 HydrophobicContact CD2-CG 4.43Å; Y395-L403 HydrophobicContact CE1-CD1 4.4Å; Y395-L403 HydrophobicContact CE1-CD2 3.69Å; Y395-L403 HydrophobicContact CE1-CG 3.66Å; Y395-L403 HydrophobicContact CE2-CD2 4.13Å; Y395-L403 HydrophobicContact CG-CD1 3.75Å; Y395-L403 HydrophobicContact CG-CD2 4.37Å; Y395-L403 HydrophobicContact CG-CG 3.92Å; L403-N405 PolarHBondContact O-N 3.18Å; L403-N405 VanDerWaalsContact O-N 3.15Å; L403-L408 HydrophobicContact CB-CD1 3.56Å; L403-L408 HydrophobicContact CB-CG 4.17Å; L403-L408 HydrophobicContact CD1-CD1 4.09Å; L403-L408 HydrophobicContact CD1-CD2 4.36Å; L403-L408 HydrophobicContact CG-CD1 4.47Å; L403-I469 HydrophobicContact CB-CG2 4.27Å; L403-I469 HydrophobicContact CD2-CG2 3.93Å; L403-I470 HydrophobicContact CD2-CG1 4.41Å
404N97.1Very high97.2Very high45 Ų4540.9 Ų40.924%0.24121%0.207CC..  trans-70.9110.3178.4-173.3-44.6000111.7K406 W407 L408N404-K406 PolarHBondContact O-N 2.93Å; N404-K406 PolarHBondContact OD1-N 3.42Å; N404-W407 HydrophobicContact CB-CB 4.12Å; N404-W407 HydrophobicContact CB-CD2 3.91Å; N404-W407 HydrophobicContact CB-CE3 3.85Å; N404-W407 HydrophobicContact CB-CG 4.04Å; N404-W407 PolarHBondContact O-N 3.34Å; N404-W407 PolarHBondContact OD1-N 2.9Å; N404-L408 WeakPolarHBondContact O-CG 3.23Å; N404-L408 PolarHBondContact O-N 2.58Å
405N95.9Very high97.3Very high103 Ų10341.5 Ų41.555%0.55121%0.21SC*.Hα-helixtrans-57.5-39.5-178.1-84.5-31000114.4P334 L403 W407 L408 K409P334-N405 WeakPolarHBondContact CD-OD1 3.27Å; P334-N405 WeakPolarHBondContact CG-OD1 3.03Å; L403-N405 PolarHBondContact O-N 3.18Å; L403-N405 VanDerWaalsContact O-N 3.15Å; N405-W407 VanDerWaalsContact C-N 3.35Å; N405-L408 PolarHBondContact O-N 2.83Å; N405-K409 WeakPolarHBondContact O-CG 3.34Å; N405-K409 PolarHBondContact O-N 3.47Å; N405-K409 VanDerWaalsContact O-N 3.1Å
406K98Very high97.3Very high160 Ų16044.3 Ų44.370%0.69622%0.222SC*.Hα-helixtrans-66.4-41.3-179.4-176.7180178-178.70110.8N404 K409 S410N404-K406 PolarHBondContact O-N 2.93Å; N404-K406 PolarHBondContact OD1-N 3.42Å; K406-K409 PolarHBondContact O-N 3.09Å; K406-S410 PolarHBondContact O-N 2.92Å; K406-S410 PolarHBondContact O-OG 2.87Å
407W98.5Very high97.4Very high73 Ų7346.8 Ų46.828%0.27723%0.233SC..Hα-helixtrans-69.8-39.6178.3-63.2-7.6000111.6N404 N405 K409 S410 H411 F465 F468 I469 E472N404-W407 HydrophobicContact CB-CB 4.12Å; N404-W407 HydrophobicContact CB-CD2 3.91Å; N404-W407 HydrophobicContact CB-CE3 3.85Å; N404-W407 HydrophobicContact CB-CG 4.04Å; N404-W407 PolarHBondContact O-N 3.34Å; N404-W407 PolarHBondContact OD1-N 2.9Å; N405-W407 VanDerWaalsContact C-N 3.35Å; W407-K409 VanDerWaalsContact C-N 3.34Å; W407-K409 PolarHBondContact O-N 2.73Å; W407-S410 WeakPolarHBondContact O-CB 3.34Å; W407-S410 PolarHBondContact O-N 2.92Å; W407-S410 VanDerWaalsContact O-N 3.13Å; W407-H411 WeakPolarHBondContact O-CB 3.45Å; W407-H411 PolarHBondContact O-N 2.85Å; W407-F465 HydrophobicContact CB-CE1 4.48Å; W407-F465 HydrophobicContact CB-CE2 4.43Å; W407-F465 HydrophobicContact CB-CZ 3.76Å; W407-F465 HydrophobicContact CG-CZ 4.09Å; W407-F465 WeakPolarHBondContact O-CE1 3.38Å; W407-F468 HydrophobicContact CE3-CE1 4.17Å; W407-F468 AromaticContact CH2-CE1 3.79Å; W407-F468 HydrophobicContact CH2-CE1 3.79Å; W407-F468 HydrophobicContact CH2-CZ 4.27Å; W407-F468 HydrophobicContact CZ3-CD1 4.23Å; W407-F468 AromaticContact CZ3-CE1 3.55Å; W407-F468 HydrophobicContact CZ3-CE1 3.55Å; W407-F468 HydrophobicContact CZ3-CZ 4.31Å; W407-I469 HydrophobicContact CB-CD1 3.79Å; W407-I469 HydrophobicContact CB-CG1 3.88Å; W407-I469 HydrophobicContact CE3-CG1 4.07Å; W407-E472 HydrophobicContact CH2-CG 3.9Å; W407-E472 HydrophobicContact CZ3-CB 3.85Å; W407-E472 HydrophobicContact CZ3-CG 3.57Å
408L98.6Very high97.6Very high2 Ų246.8 Ų46.81%0.0123%0.233CC..Hα-helixtrans-62.1-37.9175.3-73177.8000113.3P334 I392 L403 N404 N405 S410 H411 F412 F466 I469P334-L408 HydrophobicContact CB-CB 3.73Å; P334-L408 HydrophobicContact CB-CD1 3.98Å; P334-L408 HydrophobicContact CG-CB 3.61Å; P334-L408 HydrophobicContact CG-CD1 3.95Å; P334-L408 HydrophobicContact CG-CG 4.48Å; I392-L408 HydrophobicContact CD1-CD2 3.88Å; I392-L408 HydrophobicContact CG1-CD1 4.39Å; I392-L408 HydrophobicContact CG1-CD2 4.04Å; I392-L408 HydrophobicContact CG2-CD1 3.78Å; L403-L408 HydrophobicContact CB-CD1 3.56Å; L403-L408 HydrophobicContact CB-CG 4.17Å; L403-L408 HydrophobicContact CD1-CD1 4.09Å; L403-L408 HydrophobicContact CD1-CD2 4.36Å; L403-L408 HydrophobicContact CG-CD1 4.47Å; N404-L408 WeakPolarHBondContact O-CG 3.23Å; N404-L408 PolarHBondContact O-N 2.58Å; N405-L408 PolarHBondContact O-N 2.83Å; L408-S410 VanDerWaalsContact C-N 3.35Å; L408-H411 PolarHBondContact O-N 3.13Å; L408-F412 PolarHBondContact O-N 3.33Å; L408-F466 HydrophobicContact CD2-CD2 4.48Å; L408-F466 HydrophobicContact CD2-CE2 4.38Å; L408-I469 HydrophobicContact CD2-CD1 4.11Å; L408-I469 HydrophobicContact CD2-CG2 4.11Å; L408-I469 HydrophobicContact CG-CG2 4.37Å
409K98.6Very high97.7Very high83 Ų8346.2 Ų46.236%0.36123%0.231SC..Hα-helixtrans-64.2-41.4172.8-68.4-174.8-172.5-1620111.8Y332 P334 L337 N405 K406 W407 F412 I413Y332-K409 WeakPolarHBondContact O-CE 3.45Å; Y332-K409 PolarHBondContact O-NZ 3.32Å; P334-K409 HydrophobicContact CG-CG 4.31Å; L337-K409 HydrophobicContact CD1-CB 4.44Å; L337-K409 HydrophobicContact CD1-CD 4.44Å; L337-K409 HydrophobicContact CD1-CG 3.9Å; N405-K409 WeakPolarHBondContact O-CG 3.34Å; N405-K409 PolarHBondContact O-N 3.47Å; N405-K409 VanDerWaalsContact O-N 3.1Å; K406-K409 PolarHBondContact O-N 3.09Å; W407-K409 VanDerWaalsContact C-N 3.34Å; W407-K409 PolarHBondContact O-N 2.73Å; K409-F412 PolarHBondContact O-N 3.45Å; K409-I413 WeakPolarHBondContact O-CG1 3.28Å; K409-I413 PolarHBondContact O-N 3.18Å; K409-I413 VanDerWaalsContact O-N 3.17Å
410S98.5Very high97.8Very high49 Ų4945.5 Ų45.534%0.34323%0.226SC..Hα-helixtrans-65.2-42.7177-52.60000111K406 W407 L408 I413 I414K406-S410 PolarHBondContact O-N 2.92Å; K406-S410 PolarHBondContact O-OG 2.87Å; W407-S410 WeakPolarHBondContact O-CB 3.34Å; W407-S410 PolarHBondContact O-N 2.92Å; W407-S410 VanDerWaalsContact O-N 3.13Å; L408-S410 VanDerWaalsContact C-N 3.35Å; S410-I413 PolarHBondContact O-N 3.35Å; S410-I414 WeakPolarHBondContact O-CG1 3.32Å; S410-I414 PolarHBondContact O-N 3.27Å
411H98.7Very high98Very high3 Ų348.5 Ų48.51%0.01424%0.241CC..Hα-helixtrans-59-46.4174.4170.2-120.3000112W338 W407 L408 I413 I414 M415 G462 F465 F466 I469W338-H411 AromaticContact CH2-CE1 3.91Å; W338-H411 AromaticContact CZ2-CE1 3.4Å; W338-H411 WeakPolarHBondContact CZ2-CE1 3.29Å; W338-H411 AromaticContact CZ2-ND1 3.57Å; W407-H411 WeakPolarHBondContact O-CB 3.45Å; W407-H411 PolarHBondContact O-N 2.85Å; L408-H411 PolarHBondContact O-N 3.13Å; H411-I413 VanDerWaalsContact C-N 3.34Å; H411-I413 PolarHBondContact O-N 2.81Å; H411-I414 PolarHBondContact O-N 3.1Å; H411-M415 WeakPolarHBondContact NE2-CG 3.28Å; H411-M415 PolarHBondContact O-N 2.61Å; H411-G462 PolarHBondContact CD2-O 3.05Å; H411-G462 PolarHBondContact NE2-O 3.48Å; H411-F465 HydrophobicContact CB-CD1 3.87Å; H411-F465 HydrophobicContact CB-CE1 4.05Å; H411-F466 AromaticContact CE1-CD2 3.8Å; H411-F466 AromaticContact CE1-CG 3.88Å; H411-F466 AromaticContact ND1-CD2 3.86Å; H411-I469 HydrophobicContact CB-CD1 3.96Å
412F98.6Very high98Very high23 Ų2348.4 Ų48.410%0.10124%0.241CC..Hα-helixtrans-56.2-46.7175.2170.8-100.9000111.9L337 W338 F385 L408 K409 I414 M415 F416L337-F412 HydrophobicContact CB-CD1 3.93Å; L337-F412 HydrophobicContact CB-CD2 4.26Å; L337-F412 HydrophobicContact CB-CE1 4Å; L337-F412 HydrophobicContact CB-CE2 4.33Å; L337-F412 HydrophobicContact CB-CG 4.06Å; L337-F412 HydrophobicContact CB-CZ 4.2Å; L337-F412 HydrophobicContact CD1-CD1 4.2Å; L337-F412 HydrophobicContact CD2-CE1 4.3Å; L337-F412 HydrophobicContact CG-CD1 4.47Å; L337-F412 VanDerWaalsContact O-CE2 3.22Å; L337-F412 WeakPolarHBondContact O-CE2 2.81Å; L337-F412 VanDerWaalsContact O-CZ 3.31Å; L337-F412 WeakPolarHBondContact O-CZ 3.33Å; W338-F412 AromaticContact CD2-CD2 3.73Å; W338-F412 HydrophobicContact CD2-CD2 3.73Å; W338-F412 HydrophobicContact CD2-CE2 4.42Å; W338-F412 AromaticContact CE2-CD2 3.79Å; W338-F412 HydrophobicContact CE3-CD2 4.15Å; W338-F412 AromaticContact CG-CD2 3.99Å; W338-F412 HydrophobicContact CG-CD2 3.99Å; W338-F412 HydrophobicContact CZ2-CB 4.21Å; W338-F412 HydrophobicContact CZ2-CD2 4.21Å; F385-F412 HydrophobicContact CE1-CE2 4.23Å; L408-F412 PolarHBondContact O-N 3.33Å; K409-F412 PolarHBondContact O-N 3.45Å; F412-I414 PolarHBondContact O-N 3.24Å; F412-M415 PolarHBondContact O-N 3.32Å; F412-F416 HydrophobicContact CE2-CD2 4.27Å; F412-F416 HydrophobicContact CZ-CB 4.4Å; F412-F416 AromaticContact CZ-CD2 3.89Å; F412-F416 HydrophobicContact CZ-CD2 3.89Å; F412-F416 HydrophobicContact CZ-CG 4.37Å; F412-F416 WeakPolarHBondContact O-CB 3.32Å; F412-F416 PolarHBondContact O-N 2.79Å
413I98.5Very high98.1Very high96 Ų9647.1 Ų47.149%0.49223%0.231SC..Hα-helixtrans-62.5-45.6180-66166.6000111.1K409 S410 H411 F416 I417K409-I413 WeakPolarHBondContact O-CG1 3.28Å; K409-I413 PolarHBondContact O-N 3.18Å; K409-I413 VanDerWaalsContact O-N 3.17Å; S410-I413 PolarHBondContact O-N 3.35Å; H411-I413 VanDerWaalsContact C-N 3.34Å; H411-I413 PolarHBondContact O-N 2.81Å; I413-F416 PolarHBondContact O-N 3.05Å; I413-I417 HydrophobicContact CG2-CD1 3.82Å; I413-I417 WeakPolarHBondContact O-CG1 3.46Å; I413-I417 PolarHBondContact O-N 3.11Å
414I98.5Very high98.2Very high55 Ų5550.9 Ų50.928%0.28225%0.247SC..Hα-helixtrans-59.8-49.8178.4-66.6164.5000110.2S410 H411 F412 G418 I458 F465S410-I414 WeakPolarHBondContact O-CG1 3.32Å; S410-I414 PolarHBondContact O-N 3.27Å; H411-I414 PolarHBondContact O-N 3.1Å; F412-I414 PolarHBondContact O-N 3.24Å; I414-G418 PolarHBondContact O-N 3.34Å; I414-I458 HydrophobicContact CG2-CG2 3.95Å; I414-F465 HydrophobicContact CD1-CD1 4.05Å; I414-F465 HydrophobicContact CD1-CE1 4.43Å
415M98.1Very high98.3Very high14 Ų1449 Ų497%0.06924%0.237CC..Hα-helixtrans-64.6-44.5179.7-77.5-59.3-65.300112.2W338 H411 F412 I417 G418 V419 S459 I463W338-M415 HydrophobicContact CH2-CB 3.72Å; W338-M415 HydrophobicContact CH2-CG 4Å; W338-M415 HydrophobicContact CZ2-CB 4.4Å; H411-M415 WeakPolarHBondContact NE2-CG 3.28Å; H411-M415 PolarHBondContact O-N 2.61Å; F412-M415 PolarHBondContact O-N 3.32Å; M415-I417 VanDerWaalsContact C-N 3.35Å; M415-I417 PolarHBondContact O-N 3.46Å; M415-G418 PolarHBondContact O-N 2.95Å; M415-V419 HydrophobicContact CE-CG1 3.94Å; M415-V419 WeakPolarHBondContact O-CG1 3.4Å; M415-V419 VanDerWaalsContact O-CG2 3.22Å; M415-V419 WeakPolarHBondContact O-CG2 3.28Å; M415-V419 PolarHBondContact O-N 2.98Å; M415-S459 VanDerWaalsContact SD-O 3.38Å; M415-I463 HydrophobicContact CE-CG1 4.24Å; M415-I463 HydrophobicContact SD-CG1 4.12Å
416F98.3Very high98.4Very high61 Ų6144.3 Ų44.327%0.26821%0.212SC..Hα-helixtrans-59.1-45.3179.7-173.6-86.7000111.7F344 L345 F385 F412 I413 N420F344-F416 HydrophobicContact CD1-CZ 4.31Å; F344-F416 HydrophobicContact CE1-CZ 4.48Å; L345-F416 HydrophobicContact CD1-CD2 3.93Å; L345-F416 HydrophobicContact CD1-CE2 3.66Å; L345-F416 HydrophobicContact CD1-CZ 4.47Å; L345-F416 HydrophobicContact CD2-CE2 4.28Å; L345-F416 HydrophobicContact CD2-CZ 4.37Å; L345-F416 HydrophobicContact CG-CE2 4.03Å; F385-F416 HydrophobicContact CE1-CD2 4.2Å; F412-F416 HydrophobicContact CE2-CD2 4.27Å; F412-F416 HydrophobicContact CZ-CB 4.4Å; F412-F416 AromaticContact CZ-CD2 3.89Å; F412-F416 HydrophobicContact CZ-CD2 3.89Å; F412-F416 HydrophobicContact CZ-CG 4.37Å; F412-F416 WeakPolarHBondContact O-CB 3.32Å; F412-F416 PolarHBondContact O-N 2.79Å; I413-F416 PolarHBondContact O-N 3.05Å; F416-N420 WeakPolarHBondContact O-CB 3.32Å; F416-N420 PolarHBondContact O-N 3.21Å; F416-N420 PolarHBondContact O-ND2 3.11Å
417I98.5Very high98.4Very high81 Ų8137.2 Ų37.242%0.41518%0.181SC..Hα-helixtrans-67.3-49176-67.2170.7000110.3I413 M415 V419 N420 L421I413-I417 HydrophobicContact CG2-CD1 3.82Å; I413-I417 WeakPolarHBondContact O-CG1 3.46Å; I413-I417 PolarHBondContact O-N 3.11Å; M415-I417 VanDerWaalsContact C-N 3.35Å; M415-I417 PolarHBondContact O-N 3.46Å; I417-V419 PolarHBondContact O-N 2.67Å; I417-N420 PolarHBondContact O-N 2.98Å; I417-L421 HydrophobicContact CG2-CD1 3.69Å; I417-L421 HydrophobicContact CG2-CG 4.23Å; I417-L421 WeakPolarHBondContact O-CB 3.29Å; I417-L421 WeakPolarHBondContact O-CG 3.38Å; I417-L421 PolarHBondContact O-N 3.4Å
418G98.5Very high98.4Very high0 Ų037.4 Ų37.40%018%0.184CC..Hα-helixtrans-54.9-56.4-17800000112.3I414 M415 N420 L421 T422 G455 S459I414-G418 PolarHBondContact O-N 3.34Å; M415-G418 PolarHBondContact O-N 2.95Å; G418-N420 VanDerWaalsContact C-N 3.35Å; G418-N420 PolarHBondContact O-N 3.15Å; G418-L421 PolarHBondContact O-N 2.77Å; G418-T422 PolarHBondContact O-N 2.77Å; G418-T422 PolarHBondContact O-OG1 3.32Å; G418-G455 CarbonylContact C-O 3.42Å; G418-G455 WeakPolarHBondContact CA-O 3.31Å; G418-G455 CarbonylContact O-C 3.35Å; G418-G455 WeakPolarHBondContact O-CA 3.32Å; G418-S459 WeakPolarHBondContact CA-OG 3.44Å; G418-S459 PolarHBondContact O-OG 3.15Å
419V97.9Very high98.4Very high7 Ų737.3 Ų37.34%0.04218%0.184CC..Hα-helixtrans-65.3-36.6-175.4-610000112.7M381 F385 M415 I417 T422 F423 S459M381-V419 HydrophobicContact CE-CB 4.5Å; M381-V419 HydrophobicContact CG-CB 4.23Å; M381-V419 HydrophobicContact CG-CG2 3.67Å; M381-V419 HydrophobicContact SD-CG2 4.07Å; F385-V419 HydrophobicContact CE2-CG1 4.47Å; F385-V419 HydrophobicContact CE2-CG2 3.94Å; F385-V419 HydrophobicContact CZ-CG2 3.91Å; M415-V419 HydrophobicContact CE-CG1 3.94Å; M415-V419 WeakPolarHBondContact O-CG1 3.4Å; M415-V419 VanDerWaalsContact O-CG2 3.22Å; M415-V419 WeakPolarHBondContact O-CG2 3.28Å; M415-V419 PolarHBondContact O-N 2.98Å; I417-V419 PolarHBondContact O-N 2.67Å; V419-T422 PolarHBondContact O-N 3.19Å; V419-F423 HydrophobicContact CB-CD2 4.32Å; V419-F423 VanDerWaalsContact O-CD2 3.23Å; V419-F423 WeakPolarHBondContact O-CD2 3.33Å; V419-F423 PolarHBondContact O-N 3.41Å; V419-S459 PolarHBondContact N-OG 2.9Å
420N98.2Very high98.4Very high32 Ų3233.4 Ų33.417%0.17117%0.167CC..Hα-helixtrans-68.6-42.9176.3-81.5-81.1000111L345 Y377 F416 I417 G418 T422 F424 P425L345-N420 VanDerWaalsContact CD2-OD1 3.31Å; L345-N420 WeakPolarHBondContact CD2-OD1 3.35Å; Y377-N420 PolarHBondContact OH-OD1 3.32Å; F416-N420 WeakPolarHBondContact O-CB 3.32Å; F416-N420 PolarHBondContact O-N 3.21Å; F416-N420 PolarHBondContact O-ND2 3.11Å; I417-N420 PolarHBondContact O-N 2.98Å; G418-N420 VanDerWaalsContact C-N 3.35Å; G418-N420 PolarHBondContact O-N 3.15Å; N420-T422 PolarHBondContact O-N 3.28Å; N420-F424 WeakPolarHBondContact O-CA 3.33Å; N420-F424 WeakPolarHBondContact O-CB 3.27Å; N420-F424 PolarHBondContact O-N 3.17Å; N420-P425 WeakPolarHBondContact O-CD 3.4Å
421L98.3Very high98.3Very high63 Ų6336.2 Ų36.233%0.3318%0.177SC..Hα-helixtrans-64.2-31.1173.9-71179.7000112.2I417 G418 P425 V451 S452 I458I417-L421 HydrophobicContact CG2-CD1 3.69Å; I417-L421 HydrophobicContact CG2-CG 4.23Å; I417-L421 WeakPolarHBondContact O-CB 3.29Å; I417-L421 WeakPolarHBondContact O-CG 3.38Å; I417-L421 PolarHBondContact O-N 3.4Å; G418-L421 PolarHBondContact O-N 2.77Å; L421-P425 WeakPolarHBondContact O-CD 3.42Å; L421-P425 WeakPolarHBondContact O-CG 3.46Å; L421-V451 HydrophobicContact CD2-CG1 4.09Å; L421-S452 WeakPolarHBondContact O-CA 3.34Å; L421-I458 HydrophobicContact CD1-CD1 3.98Å
422T98.5Very high98.3Very high2 Ų239 Ų391%0.01220%0.201CC..Hα-helixtrans-68.2-56.3175-51.30000111.5G418 V419 N420 Q426 S452 G455 S456 S459G418-T422 PolarHBondContact O-N 2.77Å; G418-T422 PolarHBondContact O-OG1 3.32Å; V419-T422 PolarHBondContact O-N 3.19Å; N420-T422 PolarHBondContact O-N 3.28Å; T422-Q426 PolarHBondContact O-NE2 3.29Å; T422-S452 VanDerWaalsContact O-CB 3.31Å; T422-S452 WeakPolarHBondContact O-CB 3.43Å; T422-S452 PolarHBondContact O-OG 3.45Å; T422-G455 PolarHBondContact OG1-O 2.96Å; T422-S456 WeakPolarHBondContact OG1-CA 3.32Å; T422-S456 PolarHBondContact OG1-N 3.44Å; T422-S459 PolarHBondContact OG1-OG 3.43Å
423F98.4Very high98.2Very high20 Ų2039.6 Ų39.69%0.08821%0.214CC..Hα-helixtrans-101.9-25.2-162.8-60.3-64.9000113.9A373 H376 Y377 M381 V419 Q426A373-F423 WeakPolarHBondContact CB-O 3.5Å; H376-F423 HydrophobicContact CB-CB 4.33Å; H376-F423 HydrophobicContact CB-CD1 3.34Å; H376-F423 HydrophobicContact CB-CD2 3.94Å; H376-F423 HydrophobicContact CB-CE1 3.46Å; H376-F423 VanDerWaalsContact CB-CE1 3.46Å; H376-F423 HydrophobicContact CB-CE2 4.03Å; H376-F423 HydrophobicContact CB-CG 3.6Å; H376-F423 HydrophobicContact CB-CZ 3.8Å; H376-F423 AromaticContact CD2-CE1 3.19Å; H376-F423 WeakPolarHBondContact CD2-CE1 3.41Å; H376-F423 AromaticContact CD2-CZ 3.3Å; H376-F423 WeakPolarHBondContact CD2-CZ 3.33Å; H376-F423 AromaticContact CG-CD1 3.56Å; H376-F423 AromaticContact CG-CE1 3.21Å; H376-F423 AromaticContact CG-CZ 3.68Å; H376-F423 AromaticContact ND1-CE1 3.83Å; H376-F423 AromaticContact NE2-CE1 3.81Å; Y377-F423 HydrophobicContact CD2-CB 4.14Å; Y377-F423 HydrophobicContact CE2-CB 3.91Å; M381-F423 HydrophobicContact CE-CB 3.74Å; M381-F423 HydrophobicContact CE-CD2 3.67Å; M381-F423 HydrophobicContact CE-CG 4.09Å; V419-F423 HydrophobicContact CB-CD2 4.32Å; V419-F423 VanDerWaalsContact O-CD2 3.23Å; V419-F423 WeakPolarHBondContact O-CD2 3.33Å; V419-F423 PolarHBondContact O-N 3.41Å; F423-Q426 WeakPolarHBondContact O-CB 3.44Å; F423-Q426 PolarHBondContact O-N 3.32Å
424F98.2Very high98.1Very high97 Ų9735.2 Ų35.243%0.42519%0.191SC..Hα-helixtrans-61.9-46.5177.6-165.6-104.7000112.1Y377 N420 Q426 H427 F428Y377-F424 HydrophobicContact CE2-CB 4.45Å; Y377-F424 AromaticContact CZ-CD2 4Å; Y377-F424 VanDerWaalsContact OH-CB 3.32Å; Y377-F424 WeakPolarHBondContact OH-CB 3.42Å; Y377-F424 VanDerWaalsContact OH-CD2 3.29Å; Y377-F424 WeakPolarHBondContact OH-CD2 3.3Å; N420-F424 WeakPolarHBondContact O-CA 3.33Å; N420-F424 WeakPolarHBondContact O-CB 3.27Å; N420-F424 PolarHBondContact O-N 3.17Å; F424-Q426 PolarHBondContact O-N 2.72Å; F424-Q426 VanDerWaalsContact O-N 3.11Å; F424-H427 PolarHBondContact O-N 2.91Å; F424-H427 VanDerWaalsContact O-N 3.12Å; F424-H427 PolarHBondContact O-ND1 3.19Å; F424-F428 AromaticContact CD1-CE2 3.89Å; F424-F428 HydrophobicContact CD1-CE2 3.89Å; F424-F428 AromaticContact CE1-CE2 3.61Å; F424-F428 HydrophobicContact CE1-CE2 3.61Å; F424-F428 AromaticContact CE1-CZ 3.82Å; F424-F428 HydrophobicContact CE1-CZ 3.82Å; F424-F428 HydrophobicContact CZ-CE2 4.49Å; F424-F428 HydrophobicContact CZ-CZ 4.37Å
425P98.4Very high98Very high4 Ų435 Ų353%0.02619%0.194CC..Hα-helixtrans-56.5-28.1176-30.140.1000114.8N420 L421 H427 F428 L429 W448 V451N420-P425 WeakPolarHBondContact O-CD 3.4Å; L421-P425 WeakPolarHBondContact O-CD 3.42Å; L421-P425 WeakPolarHBondContact O-CG 3.46Å; P425-H427 PolarHBondContact O-N 2.75Å; P425-F428 WeakPolarHBondContact O-CB 3.15Å; P425-F428 PolarHBondContact O-N 3.2Å; P425-L429 PolarHBondContact O-N 2.91Å; P425-L429 VanDerWaalsContact O-N 3.15Å; P425-W448 HydrophobicContact CB-CB 4.12Å; P425-W448 HydrophobicContact CB-CD2 4.32Å; P425-W448 HydrophobicContact CB-CE3 3.76Å; P425-W448 HydrophobicContact CG-CE3 4.22Å; P425-V451 HydrophobicContact CG-CB 4.22Å; P425-V451 HydrophobicContact CG-CG1 3.74Å
426Q98.4Very high97.9Very high5 Ų536.6 Ų36.62%0.02320%0.199CC..Hα-helixtrans-67.6-23.4-178.3-63.9179.92.100112.7Y369 A373 T422 F423 F424 F428 L429 G430 S452Y369-Q426 CarbonylContact C-O 3.57Å; Y369-Q426 HydrophobicContact CD1-CB 4.22Å; Y369-Q426 HydrophobicContact CD1-CG 4.07Å; A373-Q426 HydrophobicContact CB-CB 3.7Å; T422-Q426 PolarHBondContact O-NE2 3.29Å; F423-Q426 WeakPolarHBondContact O-CB 3.44Å; F423-Q426 PolarHBondContact O-N 3.32Å; F424-Q426 PolarHBondContact O-N 2.72Å; F424-Q426 VanDerWaalsContact O-N 3.11Å; Q426-F428 VanDerWaalsContact C-N 3.32Å; Q426-F428 PolarHBondContact O-N 2.92Å; Q426-L429 HydrophobicContact CG-CD1 4.32Å; Q426-L429 PolarHBondContact O-N 3.43Å; Q426-G430 PolarHBondContact O-N 3.06Å; Q426-S452 PolarHBondContact NE2-OG 3.22Å
427H98.5Very high97.5Very high12 Ų1238.1 Ų38.16%0.05620%0.203CC..Hα-helixtrans-62.4-41.4169.5-67.296.5000111.2Y370 A373 Y377 F424 P425 G430 L431Y370-H427 HydrophobicContact CD2-CB 4.29Å; Y370-H427 AromaticContact CD2-CD2 4Å; Y370-H427 HydrophobicContact CE2-CB 4.37Å; Y370-H427 AromaticContact CE2-CD2 3.8Å; A373-H427 HydrophobicContact CB-CB 4.45Å; A373-H427 WeakPolarHBondContact CB-CE1 3.23Å; A373-H427 WeakPolarHBondContact CB-ND1 3.26Å; A373-H427 WeakPolarHBondContact CB-NE2 3.48Å; Y377-H427 AromaticContact CD2-CE1 3.59Å; Y377-H427 AromaticContact CE2-CE1 3.61Å; F424-H427 PolarHBondContact O-N 2.91Å; F424-H427 VanDerWaalsContact O-N 3.12Å; F424-H427 PolarHBondContact O-ND1 3.19Å; P425-H427 PolarHBondContact O-N 2.75Å; H427-G430 PolarHBondContact O-N 3.4Å; H427-L431 WeakPolarHBondContact O-CB 3.21Å; H427-L431 VanDerWaalsContact O-CG 3.28Å; H427-L431 WeakPolarHBondContact O-CG 3.3Å; H427-L431 PolarHBondContact O-N 3.02Å
428F98.4Very high97.3Very high77 Ų7741.1 Ų41.134%0.33821%0.21SC..Hα-helixtrans-69.9-37.3177.7-58.4-64.6000112.1F424 P425 Q426 G430 L431 A432 W448F424-F428 AromaticContact CD1-CE2 3.89Å; F424-F428 HydrophobicContact CD1-CE2 3.89Å; F424-F428 AromaticContact CE1-CE2 3.61Å; F424-F428 HydrophobicContact CE1-CE2 3.61Å; F424-F428 AromaticContact CE1-CZ 3.82Å; F424-F428 HydrophobicContact CE1-CZ 3.82Å; F424-F428 HydrophobicContact CZ-CE2 4.49Å; F424-F428 HydrophobicContact CZ-CZ 4.37Å; P425-F428 WeakPolarHBondContact O-CB 3.15Å; P425-F428 PolarHBondContact O-N 3.2Å; Q426-F428 VanDerWaalsContact C-N 3.32Å; Q426-F428 PolarHBondContact O-N 2.92Å; F428-G430 VanDerWaalsContact C-N 3.3Å; F428-G430 PolarHBondContact O-N 3.35Å; F428-L431 HydrophobicContact CD1-CD1 4.45Å; F428-L431 PolarHBondContact O-N 3Å; F428-A432 WeakPolarHBondContact O-CB 3.45Å; F428-A432 PolarHBondContact O-N 2.89Å; F428-W448 HydrophobicContact CB-CD2 4.28Å; F428-W448 HydrophobicContact CB-CG 4.29Å; F428-W448 HydrophobicContact CB-CZ2 4.36Å; F428-W448 HydrophobicContact CD2-CD2 4.23Å; F428-W448 AromaticContact CD2-CE2 3.92Å; F428-W448 HydrophobicContact CD2-CE3 4.39Å; F428-W448 AromaticContact CD2-CH2 3.95Å; F428-W448 HydrophobicContact CD2-CH2 3.95Å; F428-W448 AromaticContact CD2-CZ2 3.78Å; F428-W448 HydrophobicContact CD2-CZ2 3.78Å; F428-W448 HydrophobicContact CD2-CZ3 4.26Å; F428-W448 HydrophobicContact CE2-CH2 4.13Å; F428-W448 HydrophobicContact CE2-CZ2 4.28Å; F428-W448 HydrophobicContact CG-CZ2 4.07Å
429L98.3Very high97.1Very high0 Ų041.7 Ų41.70%021%0.214CC..Hα-helixtrans-57.5-45.9170.6-68.6176.1000111.1Y369 P425 Q426 A432 G433 M434 Y445 W448Y369-L429 HydrophobicContact CD1-CD1 4.42Å; Y369-L429 HydrophobicContact CG-CB 4.34Å; P425-L429 PolarHBondContact O-N 2.91Å; P425-L429 VanDerWaalsContact O-N 3.15Å; Q426-L429 HydrophobicContact CG-CD1 4.32Å; Q426-L429 PolarHBondContact O-N 3.43Å; L429-A432 PolarHBondContact O-N 3.33Å; L429-G433 PolarHBondContact O-N 3.18Å; L429-M434 HydrophobicContact CB-CB 4.19Å; L429-M434 HydrophobicContact CB-SD 3.94Å; L429-M434 HydrophobicContact CD1-SD 3.88Å; L429-M434 HydrophobicContact CD2-SD 3.81Å; L429-M434 HydrophobicContact CG-SD 4.1Å; L429-M434 VanDerWaalsContact O-CB 3.25Å; L429-M434 WeakPolarHBondContact O-CB 3.14Å; L429-M434 PolarHBondContact O-N 3.22Å; L429-Y445 HydrophobicContact CD2-CD1 3.89Å; L429-Y445 HydrophobicContact CD2-CG 4.2Å; L429-W448 HydrophobicContact CD1-CB 4.24Å; L429-W448 HydrophobicContact CD2-CB 3.6Å; L429-W448 HydrophobicContact CD2-CG 4.41Å; L429-W448 HydrophobicContact CG-CB 3.71Å
430G98.1Very high97Very high1 Ų144.6 Ų44.61%0.0123%0.229CC..Hα-helixtrans-65.4-45.3177.400000114.4Y370 Q426 H427 F428 A432 G433Y370-G430 VanDerWaalsContact N-CA 3.26Å; Q426-G430 PolarHBondContact O-N 3.06Å; H427-G430 PolarHBondContact O-N 3.4Å; F428-G430 VanDerWaalsContact C-N 3.3Å; F428-G430 PolarHBondContact O-N 3.35Å; G430-A432 PolarHBondContact O-N 3.21Å; G430-G433 WeakPolarHBondContact O-CA 3.4Å; G430-G433 PolarHBondContact O-N 3.44Å
431L97.9Very high96.8Very high107 Ų10743.7 Ų43.756%0.5622%0.223SC*.Hα-helixtrans-61.5-29.6175.4-72.9173.2000112.3L365 Y370 H427 F428L365-L431 HydrophobicContact CD2-CD2 4.04Å; Y370-L431 HydrophobicContact CD2-CD2 4.01Å; Y370-L431 HydrophobicContact CD2-CG 3.93Å; Y370-L431 HydrophobicContact CE2-CD2 3.98Å; Y370-L431 HydrophobicContact CE2-CG 4.11Å; H427-L431 WeakPolarHBondContact O-CB 3.21Å; H427-L431 VanDerWaalsContact O-CG 3.28Å; H427-L431 WeakPolarHBondContact O-CG 3.3Å; H427-L431 PolarHBondContact O-N 3.02Å; F428-L431 HydrophobicContact CD1-CD1 4.45Å; F428-L431 PolarHBondContact O-N 3Å
432A97.5Very high96.7Very high61 Ų6144.6 Ų44.650%0.50423%0.233SC..THydrogen-bonded Turntrans-81.1-217400000113.4F428 L429 G430 Y445F428-A432 WeakPolarHBondContact O-CB 3.45Å; F428-A432 PolarHBondContact O-N 2.89Å; L429-A432 PolarHBondContact O-N 3.33Å; G430-A432 PolarHBondContact O-N 3.21Å; A432-Y445 HydrophobicContact CB-CD1 4.34Å; A432-Y445 HydrophobicContact CB-CE1 3.69Å; A432-Y445 PolarHBondContact O-OH 2.93Å
433G96.7Very high96.5Very high37 Ų3750.6 Ų50.638%0.38127%0.265SS..THydrogen-bonded Turntrans87.515.5176.100000115.1L429 G430 P435L429-G433 PolarHBondContact O-N 3.18Å; G430-G433 WeakPolarHBondContact O-CA 3.4Å; G430-G433 PolarHBondContact O-N 3.44Å; G433-P435 VanDerWaalsContact O-CD 3.28Å; G433-P435 WeakPolarHBondContact O-CD 3.19Å
434M97.4Very high96.4Very high4 Ų453.5 Ų53.52%0.0229%0.293CS..PPolyproline II helixtrans-64.1117.1176.3-172.6-172.617300109.7T368 Y369 L429 Y441 Y445T368-M434 CarbonylContact C-O 3.48Å; T368-M434 VanDerWaalsContact CA-O 3.27Å; T368-M434 WeakPolarHBondContact CA-O 3.4Å; T368-M434 WeakPolarHBondContact CB-O 3.28Å; Y369-M434 HydrophobicContact CD2-CB 4.16Å; Y369-M434 HydrophobicContact CD2-CE 3.98Å; Y369-M434 HydrophobicContact CD2-CG 3.72Å; Y369-M434 HydrophobicContact CD2-SD 3.64Å; Y369-M434 HydrophobicContact CE2-CE 3.41Å; Y369-M434 VanDerWaalsContact CE2-CE 3.41Å; Y369-M434 HydrophobicContact CE2-CG 4.02Å; Y369-M434 HydrophobicContact CE2-SD 3.75Å; Y369-M434 HydrophobicContact CG-SD 4.13Å; Y369-M434 PolarHBondContact N-O 2.9Å; L429-M434 HydrophobicContact CB-CB 4.19Å; L429-M434 HydrophobicContact CB-SD 3.94Å; L429-M434 HydrophobicContact CD1-SD 3.88Å; L429-M434 HydrophobicContact CD2-SD 3.81Å; L429-M434 HydrophobicContact CG-SD 4.1Å; L429-M434 VanDerWaalsContact O-CB 3.25Å; L429-M434 WeakPolarHBondContact O-CB 3.14Å; L429-M434 PolarHBondContact O-N 3.22Å; M434-Y441 HydrophobicContact CE-CD1 3.66Å; M434-Y441 HydrophobicContact CE-CG 3.78Å; M434-Y445 HydrophobicContact CB-CD1 3.97Å; M434-Y445 HydrophobicContact CB-CD2 4.46Å; M434-Y445 HydrophobicContact CB-CE1 3.81Å; M434-Y445 HydrophobicContact CB-CE2 4.3Å; M434-Y445 HydrophobicContact CB-CG 4.29Å; M434-Y445 HydrophobicContact CG-CD1 4.43Å; M434-Y445 HydrophobicContact CG-CD2 4.25Å; M434-Y445 HydrophobicContact CG-CE2 4.4Å; M434-Y445 HydrophobicContact CG-CG 4.26Å; M434-Y445 HydrophobicContact SD-CG 4.27Å
435P96.8Very high96.4Very high50 Ų5051 Ų5133%0.32528%0.281SS..BIsolated β-bridgetrans-72.1143.6-178.830.3-34.9000110.9Y369 G433 Y438Y369-P435 VanDerWaalsContact CE2-O 3.27Å; Y369-P435 WeakPolarHBondContact CE2-O 3.33Å; G433-P435 VanDerWaalsContact O-CD 3.28Å; G433-P435 WeakPolarHBondContact O-CD 3.19Å; P435-Y438 HydrophobicContact CB-CD2 3.65Å; P435-Y438 HydrophobicContact CB-CE2 3.59Å; P435-Y438 HydrophobicContact CG-CD2 3.51Å; P435-Y438 HydrophobicContact CG-CE2 3.66Å; P435-Y438 HydrophobicContact CG-CG 4.09Å
436R95Very high96.3Very high47 Ų4752.2 Ų52.218%0.17729%0.288CS..SBendtrans-79.7158.5166.977.7-168.6-179.3167.9-10109.5D367 Y369 V372D367-R436 HydrophobicContact CB-CG 4.46Å; D367-R436 VanDerWaalsContact O-CG 3.32Å; D367-R436 WeakPolarHBondContact O-CG 3.38Å; D367-R436 PolarHBondContact O-N 3.45Å; D367-R436 IonicContact OD1-CZ 3.65Å; D367-R436 IonicContact OD1-NE 2.76Å; D367-R436 PolarHBondContact OD1-NE 3.39Å; D367-R436 IonicContact OD1-NH2 3.97Å; D367-R436 PolarHBondContact OD1-NH2 3.46Å; Y369-R436 HydrophobicContact CD2-CB 4.48Å; V372-R436 HydrophobicContact CG2-CB 3.77Å; V372-R436 HydrophobicContact CG2-CG 4.5Å
437R90.7Very high96.3Very high94 Ų9456.8 Ų56.836%0.35532%0.316SS..SBendtrans75.421.3-177.1-50.8162.6-178.8149.52.5116D367D367-R437 IonicContact OD1-CZ 2.91Å; D367-R437 IonicContact OD1-NH1 3.75Å; D367-R437 PolarHBondContact OD1-NH1 2.96Å; D367-R437 IonicContact OD1-NH2 3.43Å; D367-R437 IonicContact OD2-CZ 2.65Å; D367-R437 IonicContact OD2-NH1 2.77Å; D367-R437 PolarHBondContact OD2-NH1 2.83Å
438Y92.7Very high96.3Very high144 Ų14461.2 Ų61.257%0.56533%0.333SS*.  trans-110140.9168.4-70.4-106.6000108.8Y52 P435Y52-Y438 VanDerWaalsContact CE1-O 3.29Å; Y52-Y438 WeakPolarHBondContact CE1-O 3.38Å; Y52-Y438 VanDerWaalsContact CZ-O 3.32Å; Y52-Y438 PolarHBondContact OH-O 3.24Å; P435-Y438 HydrophobicContact CB-CD2 3.65Å; P435-Y438 HydrophobicContact CB-CE2 3.59Å; P435-Y438 HydrophobicContact CG-CD2 3.51Å; P435-Y438 HydrophobicContact CG-CE2 3.66Å; P435-Y438 HydrophobicContact CG-CG 4.09Å
439S94.6Very high96.3Very high11 Ų1157.5 Ų57.58%0.07732%0.317CS..SBendtrans-77.8-26.3175.545.60000112.3L39 D49L39-S439 WeakPolarHBondContact CD2-O 3.43Å; D49-S439 WeakPolarHBondContact OD1-CB 3.27Å; D49-S439 PolarHBondContact OD1-OG 3Å
440D95.4Very high96.2Very high69 Ų6961.2 Ų61.237%0.36934%0.336SS..  trans-129.3164.9-178.3-163.58.4000112.1G43G43-D440 WeakPolarHBondContact CA-OD2 3.4Å; G43-D440 VanDerWaalsContact N-CG 3.33Å; G43-D440 PolarHBondContact N-OD1 3.22Å; G43-D440 PolarHBondContact N-OD2 2.79Å
441Y95.4Very high96.2Very high12 Ų1263.3 Ų63.35%0.04735%0.348CS..  trans-151.3153-178.759.5-96.1000113.9L39 H41 P42 M434 N449L39-Y441 HydrophobicContact CB-CE1 4.04Å; L39-Y441 HydrophobicContact CD2-CD1 3.8Å; L39-Y441 HydrophobicContact CD2-CE1 3.98Å; L39-Y441 VanDerWaalsContact O-CE1 3.28Å; L39-Y441 WeakPolarHBondContact O-CE1 3.31Å; L39-Y441 PolarHBondContact O-OH 2.87Å; H41-Y441 WeakPolarHBondContact CA-OH 3.42Å; P42-Y441 HydrophobicContact CG-CD2 4.37Å; P42-Y441 HydrophobicContact CG-CE2 3.8Å; M434-Y441 HydrophobicContact CE-CD1 3.66Å; M434-Y441 HydrophobicContact CE-CG 3.78Å; Y441-N449 HydrophobicContact CE1-CB 4.09Å; Y441-N449 WeakPolarHBondContact CE1-ND2 3.43Å; Y441-N449 HydrophobicContact CE2-CB 4.16Å; Y441-N449 WeakPolarHBondContact OH-CB 3.5Å
442P95.8Very high96.3Very high82 Ų8258.2 Ų58.253%0.53232%0.321SS..  trans-59.6146.8173.1-25.532.9000114.3A444 Y445P442-A444 PolarHBondContact O-N 3.4Å; P442-Y445 HydrophobicContact CB-CD2 4.15Å; P442-Y445 HydrophobicContact CB-CE2 4.2Å; P442-Y445 HydrophobicContact CG-CD2 4.25Å; P442-Y445 HydrophobicContact CG-CE2 3.98Å; P442-Y445 WeakPolarHBondContact O-CD2 3.39Å; P442-Y445 PolarHBondContact O-N 3.02Å
443D94.7Very high96.3Very high128 Ų12856.6 Ų56.668%0.68431%0.305SS*.G310 helixtrans-51-29.7-179.764.6-19.2000115Y445 T446D443-Y445 PolarHBondContact O-N 3.28Å; D443-T446 WeakPolarHBondContact CA-OG1 3.47Å; D443-T446 WeakPolarHBondContact O-CB 3.36Å; D443-T446 PolarHBondContact O-N 3.39Å; D443-T446 PolarHBondContact O-OG1 3.16Å
444A96.5Very high96.4Very high81 Ų8159.2 Ų59.267%0.66931%0.309SS*.G310 helixtrans-51.5-28.6172.900000114.2P442P442-A444 PolarHBondContact O-N 3.4Å
445Y97.2Very high96.4Very high44 Ų4459 Ų5917%0.17331%0.309CS..G310 helixtrans-92.7-4.5-179.5-56.9-63.8000114.1L429 A432 M434 P442 D443 T447 W448 N449L429-Y445 HydrophobicContact CD2-CD1 3.89Å; L429-Y445 HydrophobicContact CD2-CG 4.2Å; A432-Y445 HydrophobicContact CB-CD1 4.34Å; A432-Y445 HydrophobicContact CB-CE1 3.69Å; A432-Y445 PolarHBondContact O-OH 2.93Å; M434-Y445 HydrophobicContact CB-CD1 3.97Å; M434-Y445 HydrophobicContact CB-CD2 4.46Å; M434-Y445 HydrophobicContact CB-CE1 3.81Å; M434-Y445 HydrophobicContact CB-CE2 4.3Å; M434-Y445 HydrophobicContact CB-CG 4.29Å; M434-Y445 HydrophobicContact CG-CD1 4.43Å; M434-Y445 HydrophobicContact CG-CD2 4.25Å; M434-Y445 HydrophobicContact CG-CE2 4.4Å; M434-Y445 HydrophobicContact CG-CG 4.26Å; M434-Y445 HydrophobicContact SD-CG 4.27Å; P442-Y445 HydrophobicContact CB-CD2 4.15Å; P442-Y445 HydrophobicContact CB-CE2 4.2Å; P442-Y445 HydrophobicContact CG-CD2 4.25Å; P442-Y445 HydrophobicContact CG-CE2 3.98Å; P442-Y445 WeakPolarHBondContact O-CD2 3.39Å; P442-Y445 PolarHBondContact O-N 3.02Å; D443-Y445 PolarHBondContact O-N 3.28Å; Y445-T447 PolarHBondContact O-N 3.13Å; Y445-W448 PolarHBondContact O-N 3.4Å; Y445-N449 PolarHBondContact O-N 3.49Å; Y445-N449 PolarHBondContact O-ND2 2.9Å
446T97.3Very high96.5Very high31 Ų3156.9 Ų56.919%0.1930%0.295CS..Hα-helixtrans-56.2-45.8-172.6-56.80000112.8P42 D443 W448 N449 I450P42-T446 HydrophobicContact CG-CG2 4.5Å; P42-T446 VanDerWaalsContact CG-OG1 3.24Å; P42-T446 WeakPolarHBondContact CG-OG1 3.18Å; D443-T446 WeakPolarHBondContact CA-OG1 3.47Å; D443-T446 WeakPolarHBondContact O-CB 3.36Å; D443-T446 PolarHBondContact O-N 3.39Å; D443-T446 PolarHBondContact O-OG1 3.16Å; T446-W448 PolarHBondContact O-N 3.01Å; T446-N449 PolarHBondContact O-N 3.26Å; T446-I450 HydrophobicContact CG2-CD1 3.58Å; T446-I450 HydrophobicContact CG2-CG1 4.09Å; T446-I450 WeakPolarHBondContact O-CG1 3.5Å; T446-I450 PolarHBondContact O-N 2.98Å
447T97.4Very high96.7Very high100 Ų10058.1 Ų58.161%0.61331%0.308SS*.Hα-helixtrans-56.2-50-174.8-56.90000111.9Y445 V451Y445-T447 PolarHBondContact O-N 3.13Å; T447-V451 WeakPolarHBondContact O-CG2 3.11Å; T447-V451 PolarHBondContact O-N 3.49Å
448W98Very high97Very high105 Ų10555.8 Ų55.840%0.39830%0.302SS..Hα-helixtrans-74.2-30.6-178.5-68.2127.1000112.9P425 F428 L429 Y445 T446 S452P425-W448 HydrophobicContact CB-CB 4.12Å; P425-W448 HydrophobicContact CB-CD2 4.32Å; P425-W448 HydrophobicContact CB-CE3 3.76Å; P425-W448 HydrophobicContact CG-CE3 4.22Å; F428-W448 HydrophobicContact CB-CD2 4.28Å; F428-W448 HydrophobicContact CB-CG 4.29Å; F428-W448 HydrophobicContact CB-CZ2 4.36Å; F428-W448 HydrophobicContact CD2-CD2 4.23Å; F428-W448 AromaticContact CD2-CE2 3.92Å; F428-W448 HydrophobicContact CD2-CE3 4.39Å; F428-W448 AromaticContact CD2-CH2 3.95Å; F428-W448 HydrophobicContact CD2-CH2 3.95Å; F428-W448 AromaticContact CD2-CZ2 3.78Å; F428-W448 HydrophobicContact CD2-CZ2 3.78Å; F428-W448 HydrophobicContact CD2-CZ3 4.26Å; F428-W448 HydrophobicContact CE2-CH2 4.13Å; F428-W448 HydrophobicContact CE2-CZ2 4.28Å; F428-W448 HydrophobicContact CG-CZ2 4.07Å; L429-W448 HydrophobicContact CD1-CB 4.24Å; L429-W448 HydrophobicContact CD2-CB 3.6Å; L429-W448 HydrophobicContact CD2-CG 4.41Å; L429-W448 HydrophobicContact CG-CB 3.71Å; Y445-W448 PolarHBondContact O-N 3.4Å; T446-W448 PolarHBondContact O-N 3.01Å; W448-S452 VanDerWaalsContact O-CB 3.31Å; W448-S452 WeakPolarHBondContact O-CB 3.47Å; W448-S452 PolarHBondContact O-N 2.91Å
449N98Very high97.3Very high0 Ų049.6 Ų49.60%028%0.279CS..Hα-helixtrans-67.3-40.9173.8-90.8-57.2000112.7R36 L39 Y441 Y445 T446 V451 S452 T453R36-N449 PolarHBondContact NH1-OD1 2.89Å; R36-N449 PolarHBondContact NH2-O 3.46Å; R36-N449 PolarHBondContact NH2-OD1 3.45Å; R36-N449 VanDerWaalsContact NH2-OD1 3.07Å; L39-N449 WeakPolarHBondContact O-CB 3.48Å; Y441-N449 HydrophobicContact CE1-CB 4.09Å; Y441-N449 WeakPolarHBondContact CE1-ND2 3.43Å; Y441-N449 HydrophobicContact CE2-CB 4.16Å; Y441-N449 WeakPolarHBondContact OH-CB 3.5Å; Y445-N449 PolarHBondContact O-N 3.49Å; Y445-N449 PolarHBondContact O-ND2 2.9Å; T446-N449 PolarHBondContact O-N 3.26Å; N449-V451 PolarHBondContact O-N 2.91Å; N449-S452 PolarHBondContact O-N 2.95Å; N449-T453 WeakPolarHBondContact O-CB 3.33Å; N449-T453 PolarHBondContact O-N 3.43Å; N449-T453 PolarHBondContact O-OG1 3.38Å
450I97.9Very high97.5Very high78 Ų7851.2 Ų51.240%0.429%0.287SS..Hα-helixtrans-60.5-47175.4-69.3175.3000110.5G40 T446 S452 T453 I454G40-I450 WeakPolarHBondContact O-CG1 3.46Å; T446-I450 HydrophobicContact CG2-CD1 3.58Å; T446-I450 HydrophobicContact CG2-CG1 4.09Å; T446-I450 WeakPolarHBondContact O-CG1 3.5Å; T446-I450 PolarHBondContact O-N 2.98Å; I450-S452 VanDerWaalsContact C-N 3.33Å; I450-S452 PolarHBondContact O-N 3.39Å; I450-T453 PolarHBondContact O-N 3.42Å; I450-I454 HydrophobicContact CG2-CD1 3.88Å; I450-I454 WeakPolarHBondContact O-CG1 3.42Å; I450-I454 PolarHBondContact O-N 3.21Å
451V98.4Very high97.6Very high44 Ų4452.9 Ų52.927%0.26730%0.295SS..Hα-helixtrans-60.3-44.6177.2178.80000111L421 P425 T447 N449 T453 I454 G455L421-V451 HydrophobicContact CD2-CG1 4.09Å; P425-V451 HydrophobicContact CG-CB 4.22Å; P425-V451 HydrophobicContact CG-CG1 3.74Å; T447-V451 WeakPolarHBondContact O-CG2 3.11Å; T447-V451 PolarHBondContact O-N 3.49Å; N449-V451 PolarHBondContact O-N 2.91Å; V451-T453 VanDerWaalsContact C-N 3.33Å; V451-T453 PolarHBondContact O-N 3.46Å; V451-I454 PolarHBondContact O-N 3.21Å; V451-G455 PolarHBondContact O-N 3.08Å
452S98.5Very high97.8Very high0 Ų052.3 Ų52.30%029%0.293CS..Hα-helixtrans-60.5-41.4177.4-176.70000112.2R36 L421 T422 Q426 W448 N449 I450 G455 S456R36-S452 VanDerWaalsContact CZ-OG 3.29Å; L421-S452 WeakPolarHBondContact O-CA 3.34Å; T422-S452 VanDerWaalsContact O-CB 3.31Å; T422-S452 WeakPolarHBondContact O-CB 3.43Å; T422-S452 PolarHBondContact O-OG 3.45Å; Q426-S452 PolarHBondContact NE2-OG 3.22Å; W448-S452 VanDerWaalsContact O-CB 3.31Å; W448-S452 WeakPolarHBondContact O-CB 3.47Å; W448-S452 PolarHBondContact O-N 2.91Å; N449-S452 PolarHBondContact O-N 2.95Å; I450-S452 VanDerWaalsContact C-N 3.33Å; I450-S452 PolarHBondContact O-N 3.39Å; S452-G455 PolarHBondContact O-N 3.02Å; S452-S456 PolarHBondContact O-N 3.08Å
453T98.1Very high97.9Very high27 Ų2750.2 Ų50.217%0.16628%0.277CS..Hα-helixtrans-68.2-40.7177.5-65.70000112.1R36 N449 I450 V451 G455 S456 T457R36-T453 HydrophobicContact CB-CG2 4.38Å; R36-T453 PolarHBondContact NE-OG1 3.15Å; R36-T453 PolarHBondContact NH2-OG1 3.43Å; R36-T453 WeakPolarHBondContact O-CG2 3.39Å; R36-T453 PolarHBondContact O-OG1 3.33Å; N449-T453 WeakPolarHBondContact O-CB 3.33Å; N449-T453 PolarHBondContact O-N 3.43Å; N449-T453 PolarHBondContact O-OG1 3.38Å; I450-T453 PolarHBondContact O-N 3.42Å; V451-T453 VanDerWaalsContact C-N 3.33Å; V451-T453 PolarHBondContact O-N 3.46Å; T453-G455 VanDerWaalsContact C-N 3.35Å; T453-G455 PolarHBondContact O-N 3.27Å; T453-S456 WeakPolarHBondContact O-CB 3.47Å; T453-S456 PolarHBondContact O-N 3.29Å; T453-S456 VanDerWaalsContact O-N 3.15Å; T453-T457 PolarHBondContact O-N 2.84Å; T453-T457 PolarHBondContact O-OG1 3.03Å
454I98.3Very high98.1Very high92 Ų9248.2 Ų48.247%0.47227%0.266SS..Hα-helixtrans-59.4-46.2172.8-68.2163.8000110.8I450 V451 S456 T457 I458I450-I454 HydrophobicContact CG2-CD1 3.88Å; I450-I454 WeakPolarHBondContact O-CG1 3.42Å; I450-I454 PolarHBondContact O-N 3.21Å; V451-I454 PolarHBondContact O-N 3.21Å; I454-S456 VanDerWaalsContact C-N 3.26Å; I454-S456 PolarHBondContact O-N 3.4Å; I454-T457 PolarHBondContact O-N 3.32Å; I454-I458 HydrophobicContact CG2-CD1 3.94Å; I454-I458 WeakPolarHBondContact O-CG1 3.29Å; I454-I458 PolarHBondContact O-N 3.25Å
455G98.6Very high98.2Very high0 Ų046.7 Ų46.70%024%0.244CC..Hα-helixtrans-57.3-40.3175.300000112.6G418 T422 V451 S452 T453 T457 I458 S459G418-G455 CarbonylContact C-O 3.42Å; G418-G455 WeakPolarHBondContact CA-O 3.31Å; G418-G455 CarbonylContact O-C 3.35Å; G418-G455 WeakPolarHBondContact O-CA 3.32Å; T422-G455 PolarHBondContact OG1-O 2.96Å; V451-G455 PolarHBondContact O-N 3.08Å; S452-G455 PolarHBondContact O-N 3.02Å; T453-G455 VanDerWaalsContact C-N 3.35Å; T453-G455 PolarHBondContact O-N 3.27Å; G455-T457 PolarHBondContact O-N 3.24Å; G455-I458 PolarHBondContact O-N 3.06Å; G455-S459 WeakPolarHBondContact O-CB 3.26Å; G455-S459 PolarHBondContact O-N 3.27Å; G455-S459 PolarHBondContact O-OG 2.72Å
456S98.2Very high98.2Very high6 Ų645.6 Ų45.64%0.04224%0.24CC..Hα-helixtrans-65-41.2178.5-168.50000111.8I33 R36 T422 S452 T453 I454 S459 L460I33-S456 WeakPolarHBondContact CD1-OG 3.46Å; R36-S456 WeakPolarHBondContact CG-OG 3.48Å; T422-S456 WeakPolarHBondContact OG1-CA 3.32Å; T422-S456 PolarHBondContact OG1-N 3.44Å; S452-S456 PolarHBondContact O-N 3.08Å; T453-S456 WeakPolarHBondContact O-CB 3.47Å; T453-S456 PolarHBondContact O-N 3.29Å; T453-S456 VanDerWaalsContact O-N 3.15Å; I454-S456 VanDerWaalsContact C-N 3.26Å; I454-S456 PolarHBondContact O-N 3.4Å; S456-S459 WeakPolarHBondContact O-CB 3.48Å; S456-S459 PolarHBondContact O-N 3.49Å; S456-L460 PolarHBondContact O-N 2.96Å
457T98.2Very high98.3Very high72 Ų7247.9 Ų47.944%0.44225%0.248SC..Hα-helixtrans-64.7-41.7175.2-50.90000111.6T453 I454 G455 S459 L460 L461T453-T457 PolarHBondContact O-N 2.84Å; T453-T457 PolarHBondContact O-OG1 3.03Å; I454-T457 PolarHBondContact O-N 3.32Å; G455-T457 PolarHBondContact O-N 3.24Å; T457-S459 VanDerWaalsContact C-N 3.3Å; T457-S459 PolarHBondContact O-N 3.19Å; T457-L460 WeakPolarHBondContact O-CB 3.48Å; T457-L460 PolarHBondContact O-N 3.05Å; T457-L461 WeakPolarHBondContact O-CG 3.29Å; T457-L461 PolarHBondContact O-N 3.4Å; T457-L461 VanDerWaalsContact O-N 3.11Å
458I98.6Very high98.3Very high46 Ų4647.4 Ų47.424%0.23624%0.238CC..Hα-helixtrans-61.2-42.1174.9-65.8166.8000110.5I414 L421 I454 G455 L460 L461 G462I414-I458 HydrophobicContact CG2-CG2 3.95Å; L421-I458 HydrophobicContact CD1-CD1 3.98Å; I454-I458 HydrophobicContact CG2-CD1 3.94Å; I454-I458 WeakPolarHBondContact O-CG1 3.29Å; I454-I458 PolarHBondContact O-N 3.25Å; G455-I458 PolarHBondContact O-N 3.06Å; I458-L460 PolarHBondContact O-N 2.97Å; I458-L461 PolarHBondContact O-N 3.02Å; I458-G462 PolarHBondContact O-N 3.3Å
459S98.3Very high98.4Very high13 Ų1342.4 Ų42.49%0.09122%0.219CC..Hα-helixtrans-62.4-42.2177.7-54.80000111.8M415 G418 V419 T422 G455 S456 T457 L461 G462 I463M415-S459 VanDerWaalsContact SD-O 3.38Å; G418-S459 WeakPolarHBondContact CA-OG 3.44Å; G418-S459 PolarHBondContact O-OG 3.15Å; V419-S459 PolarHBondContact N-OG 2.9Å; T422-S459 PolarHBondContact OG1-OG 3.43Å; G455-S459 WeakPolarHBondContact O-CB 3.26Å; G455-S459 PolarHBondContact O-N 3.27Å; G455-S459 PolarHBondContact O-OG 2.72Å; S456-S459 WeakPolarHBondContact O-CB 3.48Å; S456-S459 PolarHBondContact O-N 3.49Å; T457-S459 VanDerWaalsContact C-N 3.3Å; T457-S459 PolarHBondContact O-N 3.19Å; S459-L461 PolarHBondContact O-N 2.96Å; S459-G462 PolarHBondContact O-N 2.72Å; S459-G462 VanDerWaalsContact O-N 3.15Å; S459-I463 WeakPolarHBondContact O-CG1 3.4Å; S459-I463 PolarHBondContact O-N 3.34Å
460L98.3Very high98.4Very high45 Ų4543.7 Ų43.724%0.23623%0.225CC..Hα-helixtrans-58.4-46.1174.2176.966.8000111.7T29 I33 S456 T457 I458 G462 I463 L464T29-L460 HydrophobicContact CG2-CD1 3.92Å; I33-L460 HydrophobicContact CD1-CB 3.91Å; I33-L460 HydrophobicContact CD1-CD2 4.06Å; I33-L460 HydrophobicContact CD1-CG 4.43Å; I33-L460 HydrophobicContact CG1-CD1 4.39Å; I33-L460 HydrophobicContact CG1-CD2 4.1Å; S456-L460 PolarHBondContact O-N 2.96Å; T457-L460 WeakPolarHBondContact O-CB 3.48Å; T457-L460 PolarHBondContact O-N 3.05Å; I458-L460 PolarHBondContact O-N 2.97Å; L460-G462 VanDerWaalsContact C-N 3.27Å; L460-G462 PolarHBondContact O-N 2.92Å; L460-I463 PolarHBondContact O-N 2.92Å; L460-L464 HydrophobicContact CD1-CG 4.49Å; L460-L464 HydrophobicContact CG-CD1 4.35Å; L460-L464 WeakPolarHBondContact O-CG 3.49Å; L460-L464 PolarHBondContact O-N 2.73Å
461L98.4Very high98.4Very high104 Ų10447.2 Ų47.255%0.54523%0.233SC..Hα-helixtrans-61.5-37.5176.6-66.1176.3000111.7T457 I458 S459 F465T457-L461 WeakPolarHBondContact O-CG 3.29Å; T457-L461 PolarHBondContact O-N 3.4Å; T457-L461 VanDerWaalsContact O-N 3.11Å; I458-L461 PolarHBondContact O-N 3.02Å; S459-L461 PolarHBondContact O-N 2.96Å; L461-F465 VanDerWaalsContact O-CB 3.32Å; L461-F465 WeakPolarHBondContact O-CB 3.41Å; L461-F465 PolarHBondContact O-N 3.36Å
462G98.6Very high98.4Very high0 Ų046.7 Ų46.70%023%0.228CC..Hα-helixtrans-59.5-48.2172.700000112.5H411 I458 S459 L460 F465 F466H411-G462 PolarHBondContact CD2-O 3.05Å; H411-G462 PolarHBondContact NE2-O 3.48Å; I458-G462 PolarHBondContact O-N 3.3Å; S459-G462 PolarHBondContact O-N 2.72Å; S459-G462 VanDerWaalsContact O-N 3.15Å; L460-G462 VanDerWaalsContact C-N 3.27Å; L460-G462 PolarHBondContact O-N 2.92Å; G462-F465 PolarHBondContact O-N 2.77Å; G462-F466 PolarHBondContact O-N 2.77Å
463I98.3Very high98.4Very high38 Ų3846.7 Ų46.720%0.19523%0.228CC..Hα-helixtrans-61.5-47.2178.3-65.3165.7000111.2M26 T29 M415 S459 L460 F465 F466 F467M26-I463 HydrophobicContact SD-CG2 3.65Å; T29-I463 HydrophobicContact CG2-CD1 3.8Å; M415-I463 HydrophobicContact CE-CG1 4.24Å; M415-I463 HydrophobicContact SD-CG1 4.12Å; S459-I463 WeakPolarHBondContact O-CG1 3.4Å; S459-I463 PolarHBondContact O-N 3.34Å; L460-I463 PolarHBondContact O-N 2.92Å; I463-F465 VanDerWaalsContact C-N 3.29Å; I463-F465 PolarHBondContact O-N 3.29Å; I463-F466 WeakPolarHBondContact O-CB 3.45Å; I463-F466 PolarHBondContact O-N 3.43Å; I463-F466 VanDerWaalsContact O-N 3.14Å; I463-F467 HydrophobicContact CG2-CD2 4.07Å; I463-F467 HydrophobicContact CG2-CE2 3.88Å; I463-F467 WeakPolarHBondContact O-CD2 3.36Å; I463-F467 PolarHBondContact O-N 3.04Å; I463-F467 VanDerWaalsContact O-N 3.17Å
464L98.5Very high98.3Very high86 Ų8649.4 Ų49.445%0.4524%0.241SC..Hα-helixtrans-61-40.1177.2-67176.9000111.7M26 L460 F466 F467 F468M26-L464 HydrophobicContact CE-CD2 4.1Å; L460-L464 HydrophobicContact CD1-CG 4.49Å; L460-L464 HydrophobicContact CG-CD1 4.35Å; L460-L464 WeakPolarHBondContact O-CG 3.49Å; L460-L464 PolarHBondContact O-N 2.73Å; L464-F466 VanDerWaalsContact C-N 3.32Å; L464-F466 PolarHBondContact O-N 2.79Å; L464-F467 PolarHBondContact O-N 3.33Å; L464-F468 PolarHBondContact O-N 3.42Å
465F98.6Very high98.3Very high50 Ų5049.5 Ų49.522%0.21925%0.246CC..Hα-helixtrans-64.5-36.9176.2-176.4-141.7000112W407 H411 I414 L461 G462 I463 F468 I469W407-F465 HydrophobicContact CB-CE1 4.48Å; W407-F465 HydrophobicContact CB-CE2 4.43Å; W407-F465 HydrophobicContact CB-CZ 3.76Å; W407-F465 HydrophobicContact CG-CZ 4.09Å; W407-F465 WeakPolarHBondContact O-CE1 3.38Å; H411-F465 HydrophobicContact CB-CD1 3.87Å; H411-F465 HydrophobicContact CB-CE1 4.05Å; I414-F465 HydrophobicContact CD1-CD1 4.05Å; I414-F465 HydrophobicContact CD1-CE1 4.43Å; L461-F465 VanDerWaalsContact O-CB 3.32Å; L461-F465 WeakPolarHBondContact O-CB 3.41Å; L461-F465 PolarHBondContact O-N 3.36Å; G462-F465 PolarHBondContact O-N 2.77Å; I463-F465 VanDerWaalsContact C-N 3.29Å; I463-F465 PolarHBondContact O-N 3.29Å; F465-F468 HydrophobicContact CD2-CD1 4.05Å; F465-F468 HydrophobicContact CE2-CD1 4.05Å; F465-F468 WeakPolarHBondContact O-CB 3.41Å; F465-F468 PolarHBondContact O-N 3.21Å; F465-I469 HydrophobicContact CD1-CD1 4.31Å; F465-I469 HydrophobicContact CD2-CD1 4.48Å; F465-I469 HydrophobicContact CD2-CG1 4.32Å; F465-I469 HydrophobicContact CE1-CD1 4.11Å; F465-I469 HydrophobicContact CE2-CD1 4.29Å; F465-I469 HydrophobicContact CE2-CG1 4.08Å; F465-I469 HydrophobicContact CG-CD1 4.49Å; F465-I469 HydrophobicContact CZ-CD1 4.11Å; F465-I469 HydrophobicContact CZ-CG1 4.33Å; F465-I469 VanDerWaalsContact O-CG1 3.31Å; F465-I469 WeakPolarHBondContact O-CG1 3.42Å; F465-I469 PolarHBondContact O-N 2.91Å
466F98.6Very high98.2Very high20 Ų2051.7 Ų51.79%0.08826%0.261CS..Hα-helixtrans-62.2-45.1174.6-178.1-119.8000113M388 F391 I392 L408 H411 G462 I463 L464 F468 I469 I470M388-F466 HydrophobicContact CE-CD1 3.64Å; M388-F466 HydrophobicContact CE-CD2 3.55Å; M388-F466 HydrophobicContact CE-CE1 3.4Å; M388-F466 HydrophobicContact CE-CE2 3.33Å; M388-F466 HydrophobicContact CE-CG 3.69Å; M388-F466 HydrophobicContact CE-CZ 3.23Å; M388-F466 HydrophobicContact SD-CD1 4.29Å; M388-F466 HydrophobicContact SD-CE1 3.96Å; M388-F466 HydrophobicContact SD-CZ 4.24Å; F391-F466 HydrophobicContact CD1-CE1 4.5Å; F391-F466 HydrophobicContact CD1-CE2 4.46Å; F391-F466 AromaticContact CD1-CZ 3.62Å; F391-F466 HydrophobicContact CD1-CZ 3.62Å; F391-F466 AromaticContact CE1-CZ 3.84Å; F391-F466 HydrophobicContact CE1-CZ 3.84Å; I392-F466 HydrophobicContact CG1-CE2 4.39Å; L408-F466 HydrophobicContact CD2-CD2 4.48Å; L408-F466 HydrophobicContact CD2-CE2 4.38Å; H411-F466 AromaticContact CE1-CD2 3.8Å; H411-F466 AromaticContact CE1-CG 3.88Å; H411-F466 AromaticContact ND1-CD2 3.86Å; G462-F466 PolarHBondContact O-N 2.77Å; I463-F466 WeakPolarHBondContact O-CB 3.45Å; I463-F466 PolarHBondContact O-N 3.43Å; I463-F466 VanDerWaalsContact O-N 3.14Å; L464-F466 VanDerWaalsContact C-N 3.32Å; L464-F466 PolarHBondContact O-N 2.79Å; F466-F468 VanDerWaalsContact C-N 3.26Å; F466-F468 PolarHBondContact O-N 2.76Å; F466-I469 WeakPolarHBondContact O-CB 3.34Å; F466-I469 PolarHBondContact O-N 2.91Å; F466-I469 VanDerWaalsContact O-N 3.09Å; F466-I470 HydrophobicContact CD1-CD1 3.96Å; F466-I470 HydrophobicContact CE1-CD1 3.44Å; F466-I470 VanDerWaalsContact CE1-CD1 3.44Å; F466-I470 HydrophobicContact CE1-CG1 4.36Å; F466-I470 HydrophobicContact CE2-CD1 4.24Å; F466-I470 HydrophobicContact CE2-CG1 4.32Å; F466-I470 HydrophobicContact CZ-CD1 3.6Å; F466-I470 HydrophobicContact CZ-CG1 4.14Å; F466-I470 PolarHBondContact O-N 3.2Å
467F98.3Very high98Very high79 Ų7956.3 Ų56.335%0.34628%0.282SS..Hα-helixtrans-61.1-37174.5-81.1-73.4000112.2A22 M26 I463 L464 I470 W471A22-F467 HydrophobicContact CB-CE1 4.34Å; A22-F467 HydrophobicContact CB-CZ 4.18Å; M26-F467 HydrophobicContact CG-CE2 3.83Å; M26-F467 HydrophobicContact CG-CZ 3.97Å; M26-F467 HydrophobicContact SD-CD2 4.06Å; M26-F467 HydrophobicContact SD-CE2 3.39Å; M26-F467 WeakPolarHBondContact SD-CE2 3.33Å; M26-F467 HydrophobicContact SD-CZ 4.15Å; I463-F467 HydrophobicContact CG2-CD2 4.07Å; I463-F467 HydrophobicContact CG2-CE2 3.88Å; I463-F467 WeakPolarHBondContact O-CD2 3.36Å; I463-F467 PolarHBondContact O-N 3.04Å; I463-F467 VanDerWaalsContact O-N 3.17Å; L464-F467 PolarHBondContact O-N 3.33Å; F467-I470 PolarHBondContact O-N 2.88Å; F467-W471 WeakPolarHBondContact O-CB 3.21Å; F467-W471 PolarHBondContact O-N 2.98Å
468F98.6Very high97.9Very high91 Ų9156.6 Ų56.640%0.39928%0.275SS..Hα-helixtrans-61.8-41.3172.6175-99000112.3W407 L464 F465 F466 W471 E472W407-F468 HydrophobicContact CE3-CE1 4.17Å; W407-F468 AromaticContact CH2-CE1 3.79Å; W407-F468 HydrophobicContact CH2-CE1 3.79Å; W407-F468 HydrophobicContact CH2-CZ 4.27Å; W407-F468 HydrophobicContact CZ3-CD1 4.23Å; W407-F468 AromaticContact CZ3-CE1 3.55Å; W407-F468 HydrophobicContact CZ3-CE1 3.55Å; W407-F468 HydrophobicContact CZ3-CZ 4.31Å; L464-F468 PolarHBondContact O-N 3.42Å; F465-F468 HydrophobicContact CD2-CD1 4.05Å; F465-F468 HydrophobicContact CE2-CD1 4.05Å; F465-F468 WeakPolarHBondContact O-CB 3.41Å; F465-F468 PolarHBondContact O-N 3.21Å; F466-F468 VanDerWaalsContact C-N 3.26Å; F466-F468 PolarHBondContact O-N 2.76Å; F468-W471 AromaticContact CD2-CE3 3.84Å; F468-W471 HydrophobicContact CD2-CE3 3.84Å; F468-W471 HydrophobicContact CD2-CZ3 4.11Å; F468-W471 AromaticContact CE2-CE3 3.79Å; F468-W471 HydrophobicContact CE2-CE3 3.79Å; F468-W471 AromaticContact CE2-CZ3 3.59Å; F468-W471 HydrophobicContact CE2-CZ3 3.59Å; F468-W471 HydrophobicContact CZ-CZ3 4.37Å; F468-W471 PolarHBondContact O-N 2.62Å; F468-E472 WeakPolarHBondContact O-CB 3.36Å; F468-E472 PolarHBondContact O-N 3.19Å
469I98.8Very high97.7Very high0 Ų059.6 Ų59.60%029%0.288CS..Hα-helixtrans-63.6-42.5176.5-61.4165.5000111L403 W407 L408 H411 F465 F466 E472 S473L403-I469 HydrophobicContact CB-CG2 4.27Å; L403-I469 HydrophobicContact CD2-CG2 3.93Å; W407-I469 HydrophobicContact CB-CD1 3.79Å; W407-I469 HydrophobicContact CB-CG1 3.88Å; W407-I469 HydrophobicContact CE3-CG1 4.07Å; L408-I469 HydrophobicContact CD2-CD1 4.11Å; L408-I469 HydrophobicContact CD2-CG2 4.11Å; L408-I469 HydrophobicContact CG-CG2 4.37Å; H411-I469 HydrophobicContact CB-CD1 3.96Å; F465-I469 HydrophobicContact CD1-CD1 4.31Å; F465-I469 HydrophobicContact CD2-CD1 4.48Å; F465-I469 HydrophobicContact CD2-CG1 4.32Å; F465-I469 HydrophobicContact CE1-CD1 4.11Å; F465-I469 HydrophobicContact CE2-CD1 4.29Å; F465-I469 HydrophobicContact CE2-CG1 4.08Å; F465-I469 HydrophobicContact CG-CD1 4.49Å; F465-I469 HydrophobicContact CZ-CD1 4.11Å; F465-I469 HydrophobicContact CZ-CG1 4.33Å; F465-I469 VanDerWaalsContact O-CG1 3.31Å; F465-I469 WeakPolarHBondContact O-CG1 3.42Å; F465-I469 PolarHBondContact O-N 2.91Å; F466-I469 WeakPolarHBondContact O-CB 3.34Å; F466-I469 PolarHBondContact O-N 2.91Å; F466-I469 VanDerWaalsContact O-N 3.09Å; I469-E472 PolarHBondContact O-N 3.37Å; I469-S473 WeakPolarHBondContact O-CB 3.39Å; I469-S473 PolarHBondContact O-N 3.18Å
470I98.2Very high97.4Very high27 Ų2760.3 Ų60.314%0.13829%0.292CS..Hα-helixtrans-62.8-49.5175.7-67.6170.2000110.3F391 L403 F466 F467 E472 S473 L474F391-I470 HydrophobicContact CE1-CD1 3.81Å; F391-I470 HydrophobicContact CE1-CG1 4.16Å; F391-I470 HydrophobicContact CZ-CD1 4.09Å; L403-I470 HydrophobicContact CD2-CG1 4.41Å; F466-I470 HydrophobicContact CD1-CD1 3.96Å; F466-I470 HydrophobicContact CE1-CD1 3.44Å; F466-I470 VanDerWaalsContact CE1-CD1 3.44Å; F466-I470 HydrophobicContact CE1-CG1 4.36Å; F466-I470 HydrophobicContact CE2-CD1 4.24Å; F466-I470 HydrophobicContact CE2-CG1 4.32Å; F466-I470 HydrophobicContact CZ-CD1 3.6Å; F466-I470 HydrophobicContact CZ-CG1 4.14Å; F466-I470 PolarHBondContact O-N 3.2Å; F467-I470 PolarHBondContact O-N 2.88Å; I470-E472 VanDerWaalsContact C-N 3.31Å; I470-E472 PolarHBondContact O-N 3.1Å; I470-S473 WeakPolarHBondContact O-CB 3.44Å; I470-S473 PolarHBondContact O-N 3.23Å; I470-L474 HydrophobicContact CG2-CD1 3.98Å; I470-L474 HydrophobicContact CG2-CG 4.4Å; I470-L474 WeakPolarHBondContact O-CG 3.3Å; I470-L474 PolarHBondContact O-N 3.09Å
471W98.2Very high96.9Very high151 Ų15165.7 Ų65.757%0.57232%0.32SS*.Hα-helixtrans-56.5-46.2178.5170.181000111.4F467 F468 S473 L474 V475F467-W471 WeakPolarHBondContact O-CB 3.21Å; F467-W471 PolarHBondContact O-N 2.98Å; F468-W471 AromaticContact CD2-CE3 3.84Å; F468-W471 HydrophobicContact CD2-CE3 3.84Å; F468-W471 HydrophobicContact CD2-CZ3 4.11Å; F468-W471 AromaticContact CE2-CE3 3.79Å; F468-W471 HydrophobicContact CE2-CE3 3.79Å; F468-W471 AromaticContact CE2-CZ3 3.59Å; F468-W471 HydrophobicContact CE2-CZ3 3.59Å; F468-W471 HydrophobicContact CZ-CZ3 4.37Å; F468-W471 PolarHBondContact O-N 2.62Å; W471-S473 VanDerWaalsContact C-N 3.35Å; W471-S473 PolarHBondContact O-N 3.5Å; W471-L474 PolarHBondContact O-N 3.26Å; W471-V475 HydrophobicContact CD2-CG2 4.21Å; W471-V475 HydrophobicContact CZ2-CG2 3.97Å; W471-V475 WeakPolarHBondContact O-CG2 3.46Å; W471-V475 PolarHBondContact O-N 2.98Å
472E98.1Very high96.3Very high33 Ų3368.8 Ų68.815%0.15433%0.325CS..Hα-helixtrans-65.1-37.9179.7-171.9-83.1157.900112.3W407 F468 I469 I470 V475 S476 R478W407-E472 HydrophobicContact CH2-CG 3.9Å; W407-E472 HydrophobicContact CZ3-CB 3.85Å; W407-E472 HydrophobicContact CZ3-CG 3.57Å; F468-E472 WeakPolarHBondContact O-CB 3.36Å; F468-E472 PolarHBondContact O-N 3.19Å; I469-E472 PolarHBondContact O-N 3.37Å; I470-E472 VanDerWaalsContact C-N 3.31Å; I470-E472 PolarHBondContact O-N 3.1Å; E472-V475 PolarHBondContact O-N 2.83Å; E472-S476 VanDerWaalsContact O-CB 3.23Å; E472-S476 WeakPolarHBondContact O-CB 3.28Å; E472-S476 PolarHBondContact O-N 3.01Å; E472-S476 PolarHBondContact O-OG 3.44Å; E472-R478 VanDerWaalsContact CD-NH1 3.31Å; E472-R478 IonicContact OE1-CZ 3.61Å; E472-R478 IonicContact OE1-NH1 2.66Å; E472-R478 PolarHBondContact OE1-NH1 3.09Å; E472-R478 IonicContact OE1-NH2 3.71Å; E472-R478 IonicContact OE2-CZ 3.37Å; E472-R478 IonicContact OE2-NH1 3.18Å; E472-R478 PolarHBondContact OE2-NH1 3.32Å; E472-R478 IonicContact OE2-NH2 2.7Å; E472-R478 PolarHBondContact OE2-NH2 3.02Å
473S98.1Very high95.6Very high0 Ų071.2 Ų71.20%034%0.341CS..Hα-helixtrans-60.9-44.8172.4176.70000111.9Y395 T402 I469 I470 W471 V475 S476 Q477Y395-S473 VanDerWaalsContact CE1-OG 3.3Å; Y395-S473 WeakPolarHBondContact CE1-OG 3.33Å; Y395-S473 WeakPolarHBondContact OH-CB 3.39Å; Y395-S473 PolarHBondContact OH-OG 3.02Å; T402-S473 PolarHBondContact O-OG 3.34Å; I469-S473 WeakPolarHBondContact O-CB 3.39Å; I469-S473 PolarHBondContact O-N 3.18Å; I470-S473 WeakPolarHBondContact O-CB 3.44Å; I470-S473 PolarHBondContact O-N 3.23Å; W471-S473 VanDerWaalsContact C-N 3.35Å; W471-S473 PolarHBondContact O-N 3.5Å; S473-V475 VanDerWaalsContact C-N 3.34Å; S473-V475 PolarHBondContact O-N 3.06Å; S473-S476 PolarHBondContact O-OG 2.91Å; S473-Q477 PolarHBondContact O-N 2.93Å
474L97.2Very high94.7Very high84 Ų8476 Ų7644%0.4437%0.366SS..Hα-helixtrans-67.6-30.4177.6-66.5174.1000113L401 I470 W471 Q477L401-L474 HydrophobicContact CD1-CD2 4Å; I470-L474 HydrophobicContact CG2-CD1 3.98Å; I470-L474 HydrophobicContact CG2-CG 4.4Å; I470-L474 WeakPolarHBondContact O-CG 3.3Å; I470-L474 PolarHBondContact O-N 3.09Å; W471-L474 PolarHBondContact O-N 3.26Å; L474-Q477 WeakPolarHBondContact O-CG 3.45Å; L474-Q477 PolarHBondContact O-NE2 3.39Å
475V97.5Very high93.9Very high94 Ų9474.7 Ų74.757%0.5736%0.357SS*.Hα-helixtrans-80.1-42.2176.5172.30000111.4W471 E472 S473W471-V475 HydrophobicContact CD2-CG2 4.21Å; W471-V475 HydrophobicContact CZ2-CG2 3.97Å; W471-V475 WeakPolarHBondContact O-CG2 3.46Å; W471-V475 PolarHBondContact O-N 2.98Å; E472-V475 PolarHBondContact O-N 2.83Å; S473-V475 VanDerWaalsContact C-N 3.34Å; S473-V475 PolarHBondContact O-N 3.06Å
476S96.6Very high93.3Very high47 Ų4773.6 Ų73.633%0.32935%0.353SS..Hα-helixtrans-77-21-177.962.20000113.8E472 S473 R478E472-S476 VanDerWaalsContact O-CB 3.23Å; E472-S476 WeakPolarHBondContact O-CB 3.28Å; E472-S476 PolarHBondContact O-N 3.01Å; E472-S476 PolarHBondContact O-OG 3.44Å; S473-S476 PolarHBondContact O-OG 2.91Å; S476-R478 PolarHBondContact O-N 3.28Å; S476-R478 VanDerWaalsContact O-N 3.15Å; S476-R478 PolarHBondContact OG-NH1 2.94Å; S476-R478 PolarHBondContact OG-NH2 3.46Å
477Q95.1Very high92.6Very high103 Ų10378.5 Ų78.548%0.48138%0.38SS..THydrogen-bonded Turntrans52.137.7175.5-68.2-72.2-35.300113.4L401 S473 L474 Q479L401-Q477 HydrophobicContact CD2-CB 4.46Å; S473-Q477 PolarHBondContact O-N 2.93Å; L474-Q477 WeakPolarHBondContact O-CG 3.45Å; L474-Q477 PolarHBondContact O-NE2 3.39Å; Q477-Q479 PolarHBondContact O-N 3.43Å; Q477-Q479 PolarHBondContact O-NE2 2.98Å; Q477-Q479 VanDerWaalsContact O-NE2 3.16Å
478R95.7Very high92Very high77 Ų7777.4 Ų77.429%0.29138%0.383SS..  trans-68.798.3178.1-70.6-176.8-62.9-89.5-9.3111.2L401 T402 E472 S476L401-R478 CarbonylContact C-O 3.53Å; L401-R478 WeakPolarHBondContact CA-O 3.29Å; T402-R478 PolarHBondContact N-O 2.79Å; T402-R478 PolarHBondContact O-NE 2.91Å; T402-R478 PolarHBondContact O-NH2 3.47Å; T402-R478 VanDerWaalsContact OG1-CB 3.31Å; T402-R478 WeakPolarHBondContact OG1-CB 3.35Å; T402-R478 PolarHBondContact OG1-O 3.4Å; T402-R478 VanDerWaalsContact OG1-O 3.08Å; E472-R478 VanDerWaalsContact CD-NH1 3.31Å; E472-R478 IonicContact OE1-CZ 3.61Å; E472-R478 IonicContact OE1-NH1 2.66Å; E472-R478 PolarHBondContact OE1-NH1 3.09Å; E472-R478 IonicContact OE1-NH2 3.71Å; E472-R478 IonicContact OE2-CZ 3.37Å; E472-R478 IonicContact OE2-NH1 3.18Å; E472-R478 PolarHBondContact OE2-NH1 3.32Å; E472-R478 IonicContact OE2-NH2 2.7Å; E472-R478 PolarHBondContact OE2-NH2 3.02Å; S476-R478 PolarHBondContact O-N 3.28Å; S476-R478 VanDerWaalsContact O-N 3.15Å; S476-R478 PolarHBondContact OG-NH1 2.94Å; S476-R478 PolarHBondContact OG-NH2 3.46Å
479Q93.8Very high91.7Very high110 Ų11073.3 Ų73.351%0.51437%0.365SS..BIsolated β-bridgetrans-64.2148.8-179.6-57.3-58.7-46.500112.4G400 Q477G400-Q479 WeakPolarHBondContact O-CA 3.34Å; G400-Q479 PolarHBondContact O-OE1 3.15Å; Q477-Q479 PolarHBondContact O-N 3.43Å; Q477-Q479 PolarHBondContact O-NE2 2.98Å; Q477-Q479 VanDerWaalsContact O-NE2 3.16Å
480V92.5Very high91.3Very high27 Ų2774.2 Ų74.216%0.16437%0.37CS..  trans-69.6127.4169.6177.60000109.2P396 G400 T402P396-V480 HydrophobicContact CB-CG2 3.65Å; G400-V480 WeakPolarHBondContact O-CG2 3.37Å; G400-V480 PolarHBondContact O-N 3Å; T402-V480 HydrophobicContact CG2-CG2 3.8Å
481I88.2Confident91Very high159 Ų15973 Ų7382%0.81536%0.364SS*.SBendtrans-83-45.4177.7-53.3177.3000110.3
482Y85.3Confident90.7Very high169 Ų16966.5 Ų66.566%0.66334%0.339SS*.  trans-154.7143.6172.154-91.3000109.8I484Y482-I484 HydrophobicContact CD2-CG1 4.42Å; Y482-I484 HydrophobicContact CE2-CG1 4.14Å
483P82.6Confident90.3Very high50 Ų5070.6 Ų70.633%0.32535%0.354SS..  trans-77.2135172.430.3-32.4000110.7Q485 W492P483-Q485 HydrophobicContact CB-CG 4.42Å; P483-Q485 HydrophobicContact CG-CG 4.35Å; P483-Q485 PolarHBondContact O-N 2.92Å; P483-W492 HydrophobicContact CB-CE3 3.81Å; P483-W492 HydrophobicContact CB-CZ3 4.26Å
484I80.3Confident89.7Confident140 Ų14072.1 Ų72.172%0.71836%0.361SS*.  trans-8793.1168.1-57.8171.9000106.7Q258 Y482Q258-I484 PolarHBondContact NE2-O 2.98Å; Y482-I484 HydrophobicContact CD2-CG1 4.42Å; Y482-I484 HydrophobicContact CE2-CG1 4.14Å
485Q81.6Confident89.3Confident57 Ų5774.2 Ų74.227%0.26637%0.373SS..  trans-126.2153.2-172.663.3101.417.800112.3P483 W492P483-Q485 HydrophobicContact CB-CG 4.42Å; P483-Q485 HydrophobicContact CG-CG 4.35Å; P483-Q485 PolarHBondContact O-N 2.92Å; Q485-W492 HydrophobicContact CB-CB 3.5Å; Q485-W492 VanDerWaalsContact CB-CB 3.5Å; Q485-W492 HydrophobicContact CB-CD2 4.36Å; Q485-W492 HydrophobicContact CB-CG 3.67Å; Q485-W492 HydrophobicContact CG-CB 3.73Å; Q485-W492 HydrophobicContact CG-CG 4.43Å
486L85.8Confident88.9Confident27 Ų2771.3 Ų71.314%0.14136%0.355CS..  trans-89142.7171.1-67.4172.4000109.3Q258 K262 S488 S489Q258-L486 HydrophobicContact CB-CD1 4.18Å; Q258-L486 HydrophobicContact CG-CG 4.39Å; K262-L486 WeakPolarHBondContact O-CD1 3.49Å; L486-S488 PolarHBondContact O-N 2.82Å; L486-S489 WeakPolarHBondContact O-CB 3.22Å; L486-S489 PolarHBondContact O-N 3.47Å
487N84.5Confident88.7Confident123 Ų12372.2 Ų72.266%0.65836%0.36SS*.THydrogen-bonded Turntrans-60.1-11.4175.2-59.8-3.5000114.1Y493N487-Y493 WeakPolarHBondContact CA-OH 3.41Å; N487-Y493 PolarHBondContact O-OH 3.36Å
488S85.7Confident88.4Confident57 Ų5767.9 Ų67.940%0.39934%0.341SS..THydrogen-bonded Turntrans-82.7-14.5172.643.10000113.6K263 L486 I490K263-S488 WeakPolarHBondContact O-CB 3.36Å; K263-S488 PolarHBondContact O-OG 2.87Å; L486-S488 PolarHBondContact O-N 2.82Å; S488-I490 PolarHBondContact O-N 3.04Å
489S91.8Very high88Confident5 Ų566.9 Ų66.94%0.03535%0.349CS..  trans-99.380.5-174.6-57.20000111.2L486 E491 W492L486-S489 WeakPolarHBondContact O-CB 3.22Å; L486-S489 PolarHBondContact O-N 3.47Å; S489-E491 WeakPolarHBondContact CA-OE2 3.5Å; S489-E491 PolarHBondContact O-N 3.26Å; S489-E491 VanDerWaalsContact O-N 3.12Å; S489-W492 PolarHBondContact O-N 3.1Å; S489-W492 VanDerWaalsContact O-N 3.12Å
490I90.7Very high87.4Confident18 Ų1866.8 Ų66.89%0.09235%0.348CS..G310 helixtrans-61.7-22.1-171.866.8170.7000114.4L83 M84 I174 S488 W492 Y493 L509L83-I490 WeakPolarHBondContact O-CD1 3.43Å; L83-I490 WeakPolarHBondContact O-CG1 3.23Å; M84-I490 VanDerWaalsContact O-CD1 3.32Å; M84-I490 WeakPolarHBondContact O-CD1 3.27Å; I174-I490 HydrophobicContact CD1-CD1 4.44Å; S488-I490 PolarHBondContact O-N 3.04Å; I490-W492 PolarHBondContact O-N 2.58Å; I490-Y493 HydrophobicContact CB-CD2 4.13Å; I490-Y493 HydrophobicContact CB-CE2 4.37Å; I490-Y493 HydrophobicContact CG2-CD2 4.26Å; I490-Y493 HydrophobicContact CG2-CE2 4.01Å; I490-Y493 WeakPolarHBondContact O-CB 3.34Å; I490-Y493 PolarHBondContact O-N 3.19Å; I490-Y493 VanDerWaalsContact O-N 3.1Å; I490-L509 HydrophobicContact CD1-CD1 3.94Å; I490-L509 HydrophobicContact CG2-CD1 4.35Å; I490-L509 HydrophobicContact CG2-CD2 4.21Å
491E92.6Very high86.8Confident2 Ų271.2 Ų71.21%0.00937%0.367CS..G310 helixtrans-61.5-25.717770.1-81.4-166.800112.6L83 M84 L397 S489L83-E491 HydrophobicContact CB-CB 3.76Å; L83-E491 HydrophobicContact CD1-CB 4.48Å; M84-E491 HydrophobicContact CE-CG 4.45Å; M84-E491 HydrophobicContact CG-CB 4.36Å; L397-E491 HydrophobicContact CD2-CB 4.21Å; L397-E491 HydrophobicContact CD2-CG 4Å; S489-E491 WeakPolarHBondContact CA-OE2 3.5Å; S489-E491 PolarHBondContact O-N 3.26Å; S489-E491 VanDerWaalsContact O-N 3.12Å
492W92Very high86.2Confident15 Ų1564.4 Ų64.46%0.05733%0.334CS..G310 helixtrans-87.5-1.8178.3-64.9102.8000114.1W394 P396 L397 P483 Q485 S489 I490 Q494 T496W394-W492 AromaticContact CD1-CZ2 3.7Å; P396-W492 HydrophobicContact CB-CH2 4.24Å; P396-W492 HydrophobicContact CB-CZ3 4.23Å; L397-W492 HydrophobicContact CB-CE3 4.27Å; L397-W492 HydrophobicContact CB-CH2 3.79Å; L397-W492 HydrophobicContact CB-CZ2 4.41Å; L397-W492 HydrophobicContact CB-CZ3 3.71Å; L397-W492 HydrophobicContact CD1-CE3 4.17Å; L397-W492 HydrophobicContact CD1-CZ3 4.4Å; P483-W492 HydrophobicContact CB-CE3 3.81Å; P483-W492 HydrophobicContact CB-CZ3 4.26Å; Q485-W492 HydrophobicContact CB-CB 3.5Å; Q485-W492 VanDerWaalsContact CB-CB 3.5Å; Q485-W492 HydrophobicContact CB-CD2 4.36Å; Q485-W492 HydrophobicContact CB-CG 3.67Å; Q485-W492 HydrophobicContact CG-CB 3.73Å; Q485-W492 HydrophobicContact CG-CG 4.43Å; S489-W492 PolarHBondContact O-N 3.1Å; S489-W492 VanDerWaalsContact O-N 3.12Å; I490-W492 PolarHBondContact O-N 2.58Å; W492-Q494 PolarHBondContact O-N 3.21Å; W492-T496 HydrophobicContact CE3-CG2 4.46Å; W492-T496 HydrophobicContact CZ3-CG2 4.37Å
493Y87.8Confident85.8Confident118 Ų11859.1 Ų59.146%0.46331%0.313SS..G310 helixtrans-74.7-11.9170.8-66.2-20.8000113N487 I490N487-Y493 WeakPolarHBondContact CA-OH 3.41Å; N487-Y493 PolarHBondContact O-OH 3.36Å; I490-Y493 HydrophobicContact CB-CD2 4.13Å; I490-Y493 HydrophobicContact CB-CE2 4.37Å; I490-Y493 HydrophobicContact CG2-CD2 4.26Å; I490-Y493 HydrophobicContact CG2-CE2 4.01Å; I490-Y493 WeakPolarHBondContact O-CB 3.34Å; I490-Y493 PolarHBondContact O-N 3.19Å; I490-Y493 VanDerWaalsContact O-N 3.1Å
494Q86.4Confident85.6Confident32 Ų3262.9 Ų62.915%0.1534%0.341CS..SBendtrans-79.6163.9174.4-60.9-62.6-3700111.4L83 W492 P498 Y503L83-Q494 HydrophobicContact CD2-CG 4.32Å; W492-Q494 PolarHBondContact O-N 3.21Å; Q494-P498 HydrophobicContact CB-CB 3.87Å; Q494-P498 HydrophobicContact CB-CG 3.85Å; Q494-P498 HydrophobicContact CG-CB 4.31Å; Q494-P498 HydrophobicContact CG-CG 4.48Å; Q494-Y503 PolarHBondContact NE2-OH 3.35Å
495N88.9Confident85.6Confident129 Ų12963.6 Ų63.669%0.6934%0.341SS*.  trans-61.4162.6165.5-69.4-31.5000110.7P497 P498N495-P497 VanDerWaalsContact C-C 3.42Å; N495-P497 CarbonylContact C-O 3.36Å; N495-P497 CarbonylContact O-C 3.58Å; N495-P498 WeakPolarHBondContact O-CA 3.3Å; N495-P498 VanDerWaalsContact O-CD 3.27Å; N495-P498 WeakPolarHBondContact O-CD 3.33Å
496T89.9Confident85.4Confident33 Ų3364.4 Ų64.420%0.20235%0.346CS..SBendtrans-116.1100.2175.454.40000109.7L397 G400 W492L397-T496 HydrophobicContact CD1-CG2 4.39Å; G400-T496 VanDerWaalsContact CA-O 3.27Å; G400-T496 WeakPolarHBondContact CA-O 3.44Å; W492-T496 HydrophobicContact CE3-CG2 4.46Å; W492-T496 HydrophobicContact CZ3-CG2 4.37Å
497P90.9Very high85.2Confident65 Ų6564.8 Ų64.842%0.42235%0.351SS..SBendcis-79.5158.91.933.6-35.4000113.7L397 N495L397-P497 WeakPolarHBondContact O-CA 3.36Å; N495-P497 VanDerWaalsContact C-C 3.42Å; N495-P497 CarbonylContact C-O 3.36Å; N495-P497 CarbonylContact O-C 3.58Å
498P89.4Confident84.9Confident13 Ų1364.3 Ų64.38%0.08435%0.348CS..PPolyproline II helixtrans-62.6153.8175.6-24.133.4000112.2K11 L83 L397 Q494 N495K11-P498 HydrophobicContact CD-CB 4.14Å; K11-P498 HydrophobicContact CD-CG 4.49Å; L83-P498 HydrophobicContact CD1-CG 4.3Å; L397-P498 HydrophobicContact CD1-CG 3.92Å; L397-P498 HydrophobicContact CG-CG 4.48Å; L397-P498 VanDerWaalsContact O-CD 3.25Å; L397-P498 WeakPolarHBondContact O-CD 3.14Å; Q494-P498 HydrophobicContact CB-CB 3.87Å; Q494-P498 HydrophobicContact CB-CG 3.85Å; Q494-P498 HydrophobicContact CG-CB 4.31Å; Q494-P498 HydrophobicContact CG-CG 4.48Å; N495-P498 WeakPolarHBondContact O-CA 3.3Å; N495-P498 VanDerWaalsContact O-CD 3.27Å; N495-P498 WeakPolarHBondContact O-CD 3.33Å
499A86.1Confident84.4Confident56 Ų5664.7 Ų64.746%0.46335%0.345SS..PPolyproline II helixtrans-61.9153.8170.500000111.2K11 H501 S502K11-A499 WeakPolarHBondContact CE-O 3.09Å; K11-A499 PolarHBondContact NZ-O 3.3Å; A499-H501 VanDerWaalsContact C-N 3.34Å; A499-H501 PolarHBondContact O-N 2.8Å; A499-S502 PolarHBondContact O-OG 3.06Å
500E81.6Confident83.5Confident107 Ų10769.5 Ų69.550%0.537%0.374SS..SBendtrans-51.6-52.7178-76.5-172.6-178.500111.2N9 K11N9-E500 WeakPolarHBondContact ND2-CA 3.43Å; N9-E500 WeakPolarHBondContact ND2-CB 3.47Å; N9-E500 PolarHBondContact ND2-O 3.32Å; K11-E500 WeakPolarHBondContact CE-O 3.32Å; K11-E500 PolarHBondContact NZ-O 3.04Å
501H79.9Confident82.1Confident121 Ų12178.8 Ų78.856%0.5642%0.424SS*.SBendtrans-99.199.5166.7-69.5-72.4000109.4A499 Y503A499-H501 VanDerWaalsContact C-N 3.34Å; A499-H501 PolarHBondContact O-N 2.8Å; H501-Y503 PolarHBondContact O-N 2.88Å
502S75.8Confident81.5Confident16 Ų1682.6 Ų82.611%0.11244%0.444CS..SBendtrans-65.1-31178.7-56.60000112K11 A499K11-S502 PolarHBondContact NZ-OG 3.15Å; K11-S502 VanDerWaalsContact NZ-OG 3.12Å; A499-S502 PolarHBondContact O-OG 3.06Å
503Y78.1Confident81Confident57 Ų5786.2 Ų86.222%0.22447%0.465CS..  trans-140.1148.7176.1-56.3-75.7000109.7P88 Q494 H501 E505 P507P88-Y503 WeakPolarHBondContact CB-O 3.4Å; Q494-Y503 PolarHBondContact NE2-OH 3.35Å; H501-Y503 PolarHBondContact O-N 2.88Å; Y503-E505 WeakPolarHBondContact CB-O 3.48Å; Y503-P507 HydrophobicContact CD1-CB 4.33Å; Y503-P507 HydrophobicContact CD1-CG 4.04Å; Y503-P507 HydrophobicContact CD2-CG 4.46Å; Y503-P507 HydrophobicContact CE1-CB 4.39Å; Y503-P507 HydrophobicContact CE1-CG 4.04Å; Y503-P507 HydrophobicContact CE2-CG 4.47Å; Y503-P507 HydrophobicContact CG-CG 4.25Å
504S78.3Confident80.6Confident130 Ų13084.4 Ų84.491%0.90947%0.465SS*.SBendtrans-83.2-30173.4-56.10000112.7
505E79.7Confident80.3Confident155 Ų15587.5 Ų87.572%0.72448%0.484SS*.SBendtrans-147172178.563.2-176.9-179.600109.8Y503 P507Y503-E505 WeakPolarHBondContact CB-O 3.48Å; E505-P507 WeakPolarHBondContact O-CD 3.31Å
506L77.8Confident79.7Confident73 Ų7384.9 Ų84.938%0.38247%0.471SS..PPolyproline II helixtrans-64.5119.1178.8-76.8168.3000110.6A87 M169A87-L506 HydrophobicContact CB-CD2 4.39Å; M169-L506 HydrophobicContact CB-CD2 4.29Å; M169-L506 WeakPolarHBondContact O-CD2 3.32Å
507P80.9Confident79Confident35 Ų3588.3 Ų88.323%0.22749%0.489CS..PPolyproline II helixtrans-76.3165.1179.532.6-32.8000111.5G86 S171 T172 Y503 E505G86-P507 WeakPolarHBondContact O-CD 3.48Å; G86-P507 WeakPolarHBondContact O-CG 3.34Å; S171-P507 WeakPolarHBondContact CB-O 3.19Å; T172-P507 PolarHBondContact N-O 3.01Å; Y503-P507 HydrophobicContact CD1-CB 4.33Å; Y503-P507 HydrophobicContact CD1-CG 4.04Å; Y503-P507 HydrophobicContact CD2-CG 4.46Å; Y503-P507 HydrophobicContact CE1-CB 4.39Å; Y503-P507 HydrophobicContact CE1-CG 4.04Å; Y503-P507 HydrophobicContact CE2-CG 4.47Å; Y503-P507 HydrophobicContact CG-CG 4.25Å; E505-P507 WeakPolarHBondContact O-CD 3.31Å
508L79.5Confident78.2Confident114 Ų11490 Ų9060%0.59749%0.493SS*.BIsolated β-bridgetrans-96.3124.8167.917867.1000109T172 T510T172-L508 HydrophobicContact CG2-CD1 3.52Å; L508-T510 HydrophobicContact CD2-CG2 3.58Å; L508-T510 HydrophobicContact CG-CG2 3.72Å
509L74.8Confident77.3Confident65 Ų6595.9 Ų95.934%0.3453%0.525SS..  trans-94.2108.5169.5-104.6147.6000108.6T172 I174 I490T172-L509 PolarHBondContact O-N 3.07Å; I174-L509 HydrophobicContact CD1-CD1 3.85Å; I174-L509 HydrophobicContact CG1-CD1 4.15Å; I490-L509 HydrophobicContact CD1-CD1 3.94Å; I490-L509 HydrophobicContact CG2-CD1 4.35Å; I490-L509 HydrophobicContact CG2-CD2 4.21Å
510T71.3Confident76.6Confident105 Ų10599.3 Ų99.364%0.64453%0.53SS*.  trans-102.1138.6174.454.50000110.3L508L508-T510 HydrophobicContact CD2-CG2 3.58Å; L508-T510 HydrophobicContact CG-CG2 3.72Å
511N61.4Low76.1Confident213 Ų21398.5 Ų98.5100%1.13953%0.533SS*.  trans-65.30-179.9-86.1-4.4000113.7

Retrieved 511 of 511 residues in 757.9 ms (Link to these results)