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Cytochrome b-c1 complex subunit 7

Component of the ubiquinol-cytochrome c oxidoreductase, a multisubunit transmembrane complex that is part of 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. The cytochrome b-c1 complex catalyzes electron transfer from ubiquinol to cytochrome c, linking this redox reaction to translocation of protons across the mitochondrial inner membrane, with protons being carried across the membrane as hydrogens on the quinol. In the process called Q cycle, 2 protons are consumed from the matrix, 4 protons are released into the intermembrane space and 2 electrons are passed to cytochrome c.

AlphaFold DB , UniProt , Accession O01374, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 130 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
1M40.4Very low63.7Low197 Ų197102.2 Ų102.297%0.9754%0.535SS*.  0-280-73.7-59-139.600114.5Y3 L4M1-Y3 PolarHBondContact O-N 2.84Å; M1-L4 HydrophobicContact SD-CD1 4.43Å
2A48.1Very low65.6Low72 Ų7298.6 Ų98.660%0.59553%0.531SS*.Hα-helixtrans-62.3-37.9179.200000114.2L4 R5A2-L4 VanDerWaalsContact C-N 3.28Å; A2-L4 PolarHBondContact O-N 3.13Å; A2-R5 PolarHBondContact O-N 2.97Å
3Y51.4Low67.3Low145 Ų14595.8 Ų95.857%0.56952%0.523SS*.Hα-helixtrans-71.5-11.1-176.4-53.6-77.3000115.8M1 T6 V108M1-Y3 PolarHBondContact O-N 2.84Å; Y3-T6 VanDerWaalsContact C-OG1 3.26Å; Y3-T6 PolarHBondContact O-OG1 3.42Å; Y3-V108 HydrophobicContact CE1-CG1 4.41Å; Y3-V108 HydrophobicContact CE1-CG2 4.09Å
4L49Very low68.7Low125 Ų12591.4 Ų91.465%0.65450%0.496SS*.Hα-helixtrans-90.4-30.8178-67.5175.9000112.1M1 A2 T6 G7M1-L4 HydrophobicContact SD-CD1 4.43Å; A2-L4 VanDerWaalsContact C-N 3.28Å; A2-L4 PolarHBondContact O-N 3.13Å; L4-T6 PolarHBondContact O-N 3.42Å; L4-G7 PolarHBondContact O-N 2.74Å
5R49.6Very low69.9Low196 Ų19692.9 Ų92.974%0.7449%0.491SS*.Hα-helixtrans-63.6-32.9173.8-74.4-174169.3-177.1-4.1111.6A2 G7 E9A2-R5 PolarHBondContact O-N 2.97Å; R5-G7 VanDerWaalsContact C-N 3.27Å; R5-G7 PolarHBondContact O-N 3.35Å; R5-E9 WeakPolarHBondContact O-CG 3.33Å
6T63.6Low71.1Confident56 Ų5689.8 Ų89.834%0.34448%0.479SS..Hα-helixtrans-67.1-23-178.250.90000113.8Y3 L4 F10Y3-T6 VanDerWaalsContact C-OG1 3.26Å; Y3-T6 PolarHBondContact O-OG1 3.42Å; L4-T6 PolarHBondContact O-N 3.42Å; T6-F10 WeakPolarHBondContact O-CA 3.48Å; T6-F10 WeakPolarHBondContact O-CB 3.47Å; T6-F10 PolarHBondContact O-N 3.36Å
7G70.6Confident72Confident31 Ų3186.2 Ų86.232%0.3246%0.463SS..Hα-helixtrans-67.6-57.1-175.500000113.5L4 R5 E9 F10 I11L4-G7 PolarHBondContact O-N 2.74Å; R5-G7 VanDerWaalsContact C-N 3.27Å; R5-G7 PolarHBondContact O-N 3.35Å; G7-E9 PolarHBondContact O-N 3.29Å; G7-F10 PolarHBondContact O-N 3.37Å; G7-I11 VanDerWaalsContact O-CG1 3.3Å; G7-I11 WeakPolarHBondContact O-CG1 3.39Å; G7-I11 PolarHBondContact O-N 3.05Å
8A76.2Confident72.8Confident74 Ų7482.4 Ų82.461%0.61244%0.443SS*.Hα-helixtrans-65.3-40.2179.800000111.9F10 I11 A12A8-F10 VanDerWaalsContact C-N 3.33Å; A8-F10 PolarHBondContact O-N 3.46Å; A8-I11 PolarHBondContact O-N 2.89Å; A8-A12 WeakPolarHBondContact O-CB 3.49Å; A8-A12 PolarHBondContact O-N 3.49Å
9E83.3Confident73.6Confident124 Ų12484.8 Ų84.858%0.57946%0.455SS*.Hα-helixtrans-62.1-40.6174.7-68171.5179.800111.4R5 G7 A12 S13R5-E9 WeakPolarHBondContact O-CG 3.33Å; G7-E9 PolarHBondContact O-N 3.29Å; E9-A12 PolarHBondContact O-N 3.46Å; E9-S13 VanDerWaalsContact O-CB 3.24Å; E9-S13 WeakPolarHBondContact O-CB 3.29Å; E9-S13 PolarHBondContact O-N 3.33Å
10F84.8Confident74.4Confident47 Ų4788.9 Ų88.921%0.20646%0.464CS..Hα-helixtrans-65.4-43.6176.1178.9-94.8000111.9T6 G7 A8 A12 S13 Y14 I99 P100 E103 P104T6-F10 WeakPolarHBondContact O-CA 3.48Å; T6-F10 WeakPolarHBondContact O-CB 3.47Å; T6-F10 PolarHBondContact O-N 3.36Å; G7-F10 PolarHBondContact O-N 3.37Å; A8-F10 VanDerWaalsContact C-N 3.33Å; A8-F10 PolarHBondContact O-N 3.46Å; F10-A12 PolarHBondContact O-N 2.9Å; F10-S13 PolarHBondContact O-N 2.95Å; F10-Y14 WeakPolarHBondContact O-CB 3.33Å; F10-Y14 PolarHBondContact O-N 3.13Å; F10-I99 HydrophobicContact CE1-CG2 4.46Å; F10-P100 HydrophobicContact CE1-CB 4.22Å; F10-P100 HydrophobicContact CE1-CG 3.74Å; F10-P100 WeakPolarHBondContact CE1-O 3.3Å; F10-P100 HydrophobicContact CZ-CB 4.09Å; F10-P100 HydrophobicContact CZ-CG 3.67Å; F10-P100 WeakPolarHBondContact CZ-O 3.49Å; F10-E103 HydrophobicContact CE1-CB 4.34Å; F10-E103 HydrophobicContact CE2-CB 3.95Å; F10-E103 HydrophobicContact CE2-CG 3.94Å; F10-E103 HydrophobicContact CZ-CB 3.49Å; F10-E103 VanDerWaalsContact CZ-CB 3.49Å; F10-E103 HydrophobicContact CZ-CG 3.85Å; F10-P104 HydrophobicContact CB-CG 4.25Å; F10-P104 HydrophobicContact CD1-CG 3.97Å; F10-P104 HydrophobicContact CD2-CG 3.88Å; F10-P104 HydrophobicContact CE1-CG 4.29Å; F10-P104 HydrophobicContact CE2-CG 4.19Å; F10-P104 HydrophobicContact CG-CG 3.75Å; F10-P104 HydrophobicContact CZ-CG 4.39Å
11I83.9Confident75.2Confident57 Ų5787.3 Ų87.329%0.29246%0.455SS..Hα-helixtrans-60.4-47.4176.1-65.9168000110.4G7 A8 S13 Y14 R15 I99G7-I11 VanDerWaalsContact O-CG1 3.3Å; G7-I11 WeakPolarHBondContact O-CG1 3.39Å; G7-I11 PolarHBondContact O-N 3.05Å; A8-I11 PolarHBondContact O-N 2.89Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 3.2Å; I11-Y14 PolarHBondContact O-N 2.9Å; I11-R15 WeakPolarHBondContact O-CB 3.43Å; I11-R15 WeakPolarHBondContact O-CG 3.47Å; I11-R15 PolarHBondContact O-N 3.12Å; I11-I99 HydrophobicContact CD1-CD1 4.32Å; I11-I99 HydrophobicContact CG1-CD1 4.12Å; I11-I99 HydrophobicContact CG1-CG2 3.87Å; I11-I99 HydrophobicContact CG2-CD1 3.84Å
12A85.7Confident77.8Confident59 Ų5980.7 Ų80.749%0.48843%0.428SS..Hα-helixtrans-61.6-43.1177.100000111.5A8 E9 F10 R15 S16A8-A12 WeakPolarHBondContact O-CB 3.49Å; A8-A12 PolarHBondContact O-N 3.49Å; E9-A12 PolarHBondContact O-N 3.46Å; F10-A12 PolarHBondContact O-N 2.9Å; A12-R15 PolarHBondContact O-N 2.71Å; A12-S16 WeakPolarHBondContact O-CB 3.3Å; A12-S16 PolarHBondContact O-N 3.44Å; A12-S16 PolarHBondContact O-OG 3.31Å
13S87.8Confident80Confident62 Ų6282 Ų8243%0.43443%0.425SS..Hα-helixtrans-61.4-45.8175.9-177.40000111.8E9 F10 I11 S16 S17E9-S13 VanDerWaalsContact O-CB 3.24Å; E9-S13 WeakPolarHBondContact O-CB 3.29Å; E9-S13 PolarHBondContact O-N 3.33Å; F10-S13 PolarHBondContact O-N 2.95Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 3.2Å; S13-S16 WeakPolarHBondContact CA-OG 3.37Å; S13-S16 PolarHBondContact O-N 3.03Å; S13-S16 PolarHBondContact O-OG 3.4Å; S13-S17 PolarHBondContact O-N 2.94Å
14Y87.4Confident82.1Confident35 Ų3580.5 Ų80.514%0.13743%0.426CS..Hα-helixtrans-62.9-47.5177.6-179.7-108.9000111.6F10 I11 S16 S17 L18 D98 P100F10-Y14 WeakPolarHBondContact O-CB 3.33Å; F10-Y14 PolarHBondContact O-N 3.13Å; I11-Y14 PolarHBondContact O-N 2.9Å; Y14-S16 VanDerWaalsContact C-N 3.32Å; Y14-S16 PolarHBondContact O-N 3.39Å; Y14-S17 WeakPolarHBondContact O-CA 3.39Å; Y14-S17 VanDerWaalsContact O-CB 3.3Å; Y14-S17 WeakPolarHBondContact O-CB 3.44Å; Y14-S17 PolarHBondContact O-N 3.22Å; Y14-S17 PolarHBondContact O-OG 2.96Å; Y14-L18 HydrophobicContact CE1-CD1 4.37Å; Y14-L18 PolarHBondContact O-N 2.72Å; Y14-D98 VanDerWaalsContact CE1-O 3.25Å; Y14-D98 WeakPolarHBondContact CE1-O 3.42Å; Y14-D98 PolarHBondContact OH-O 3.28Å; Y14-P100 VanDerWaalsContact CD1-CD 3.44Å; Y14-P100 HydrophobicContact CD1-CG 4.27Å; Y14-P100 HydrophobicContact CD2-CG 3.37Å; Y14-P100 VanDerWaalsContact CE1-CD 3.43Å; Y14-P100 HydrophobicContact CE1-CG 4.34Å; Y14-P100 HydrophobicContact CE2-CG 3.48Å; Y14-P100 VanDerWaalsContact CE2-CG 3.48Å; Y14-P100 VanDerWaalsContact CG-CD 3.46Å; Y14-P100 HydrophobicContact CG-CG 3.8Å; Y14-P100 VanDerWaalsContact CZ-CD 3.46Å
15R87.1Confident84.3Confident113 Ų11379.7 Ų79.743%0.42642%0.419SS..Hα-helixtrans-60.8-42.2176-71.9176.5176.5177.9-2.3111.7I11 A12 S17 L18 N19I11-R15 WeakPolarHBondContact O-CB 3.43Å; I11-R15 WeakPolarHBondContact O-CG 3.47Å; I11-R15 PolarHBondContact O-N 3.12Å; A12-R15 PolarHBondContact O-N 2.71Å; R15-S17 PolarHBondContact O-N 3.44Å; R15-L18 WeakPolarHBondContact O-CB 3.48Å; R15-L18 PolarHBondContact O-N 3.46Å; R15-N19 PolarHBondContact O-N 2.8Å
16S88Confident86.3Confident43 Ų4374 Ų7430%0.30140%0.401SS..Hα-helixtrans-63.3-30.8174.777.10000112.6A12 S13 Y14 L18 N19 R20A12-S16 WeakPolarHBondContact O-CB 3.3Å; A12-S16 PolarHBondContact O-N 3.44Å; A12-S16 PolarHBondContact O-OG 3.31Å; S13-S16 WeakPolarHBondContact CA-OG 3.37Å; S13-S16 PolarHBondContact O-N 3.03Å; S13-S16 PolarHBondContact O-OG 3.4Å; Y14-S16 VanDerWaalsContact C-N 3.32Å; Y14-S16 PolarHBondContact O-N 3.39Å; S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 2.86Å; S16-N19 PolarHBondContact O-N 3.46Å; S16-R20 WeakPolarHBondContact O-CG 3.42Å; S16-R20 PolarHBondContact O-N 2.93Å; S16-R20 VanDerWaalsContact O-N 3.15Å; S16-R20 PolarHBondContact O-NH1 3.38Å; S16-R20 PolarHBondContact OG-NH1 3.15Å
17S87.8Confident87.8Confident29 Ų2976.9 Ų76.920%0.20341%0.409CS..Hα-helixtrans-66.4-33.6177.383.30000112.8S13 Y14 R15 R20S13-S17 PolarHBondContact O-N 2.94Å; Y14-S17 WeakPolarHBondContact O-CA 3.39Å; Y14-S17 VanDerWaalsContact O-CB 3.3Å; Y14-S17 WeakPolarHBondContact O-CB 3.44Å; Y14-S17 PolarHBondContact O-N 3.22Å; Y14-S17 PolarHBondContact O-OG 2.96Å; R15-S17 PolarHBondContact O-N 3.44Å; S17-R20 PolarHBondContact O-N 2.98Å
18L86.3Confident88.9Confident19 Ų1980.6 Ų80.610%0.09942%0.42CS..Hα-helixtrans-63.8-45.4173.6-63.2175.3000110.6Y14 R15 S16 R20 M21 K29Y14-L18 HydrophobicContact CE1-CD1 4.37Å; Y14-L18 PolarHBondContact O-N 2.72Å; R15-L18 WeakPolarHBondContact O-CB 3.48Å; R15-L18 PolarHBondContact O-N 3.46Å; S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 2.86Å; L18-R20 PolarHBondContact O-N 3.37Å; L18-M21 HydrophobicContact CD2-CE 4.25Å; L18-M21 WeakPolarHBondContact O-CB 3.4Å; L18-M21 PolarHBondContact O-N 3.48Å; L18-M21 VanDerWaalsContact O-N 3.17Å; L18-K29 HydrophobicContact CD2-CD 4.01Å
19N87.3Confident89.7Confident127 Ų12780.2 Ų80.268%0.67941%0.405SS*.Hα-helixtrans-68.4-21.4-179.4-63.6-27.9000113.5R15 S16 M21R15-N19 PolarHBondContact O-N 2.8Å; S16-N19 PolarHBondContact O-N 3.46Å; N19-M21 VanDerWaalsContact C-N 3.33Å
20R90.7Very high90.2Very high167 Ų16778.6 Ų78.663%0.6340%0.398SS*.THydrogen-bonded Turntrans-78.2-14.8175.8-73.7-168.4-62.3-87.24.5113.6S16 S17 L18S16-R20 WeakPolarHBondContact O-CG 3.42Å; S16-R20 PolarHBondContact O-N 2.93Å; S16-R20 VanDerWaalsContact O-N 3.15Å; S16-R20 PolarHBondContact O-NH1 3.38Å; S16-R20 PolarHBondContact OG-NH1 3.15Å; S17-R20 PolarHBondContact O-N 2.98Å; L18-R20 PolarHBondContact O-N 3.37Å
21M91Very high90.6Very high55 Ų5583.3 Ų83.327%0.27142%0.419SS..SBendtrans-71.3149.5-179.8-64.9179.8-172.400110.8L18 N19 Q25 Q26 K29L18-M21 HydrophobicContact CD2-CE 4.25Å; L18-M21 WeakPolarHBondContact O-CB 3.4Å; L18-M21 PolarHBondContact O-N 3.48Å; L18-M21 VanDerWaalsContact O-N 3.17Å; N19-M21 VanDerWaalsContact C-N 3.33Å; M21-Q25 HydrophobicContact CB-CB 3.95Å; M21-Q26 HydrophobicContact CB-CG 3.74Å; M21-Q26 PolarHBondContact O-NE2 3.17Å; M21-K29 HydrophobicContact CE-CD 4.13Å; M21-K29 HydrophobicContact SD-CD 3.87Å
22S94.8Very high91Very high59 Ų5982.6 Ų82.641%0.41343%0.426SS..  trans-64.5156.9171.773.80000111.2L24 Q25 Q26S22-L24 VanDerWaalsContact C-N 3.26Å; S22-L24 PolarHBondContact O-N 3.37Å; S22-Q25 WeakPolarHBondContact O-CA 3.21Å; S22-Q25 WeakPolarHBondContact O-CB 3.1Å; S22-Q25 PolarHBondContact O-N 3.1Å; S22-Q25 VanDerWaalsContact OG-CG 3.27Å; S22-Q25 WeakPolarHBondContact OG-CG 3.35Å; S22-Q25 PolarHBondContact OG-N 2.86Å; S22-Q25 PolarHBondContact OG-OE1 2.73Å; S22-Q26 WeakPolarHBondContact O-CG 3.47Å; S22-Q26 PolarHBondContact O-N 3.31Å
23D94.3Very high91.4Very high99 Ų9980.4 Ų80.453%0.52941%0.405SS..Hα-helixtrans-54.1-42.3179.7175.556.2000112.5Q25 Q26 K27D23-Q25 PolarHBondContact O-N 2.94Å; D23-Q26 PolarHBondContact O-N 3.12Å; D23-K27 WeakPolarHBondContact O-CB 3.34Å; D23-K27 WeakPolarHBondContact O-CG 3.38Å; D23-K27 PolarHBondContact O-N 3.38Å; D23-K27 VanDerWaalsContact OD1-CE 3.28Å; D23-K27 WeakPolarHBondContact OD1-CE 3.35Å; D23-K27 IonicContact OD1-NZ 2.79Å; D23-K27 PolarHBondContact OD1-NZ 3.42Å; D23-K27 WeakPolarHBondContact OD2-CE 3.46Å; D23-K27 IonicContact OD2-NZ 3.82Å; D23-K27 PolarHBondContact OD2-NZ 3.47Å
24L94.7Very high91.6Very high114 Ų11481.4 Ų81.460%0.59741%0.406SS*.Hα-helixtrans-62.7-43.2175.4-178.264.4000112S22 K27 I28S22-L24 VanDerWaalsContact C-N 3.26Å; S22-L24 PolarHBondContact O-N 3.37Å; L24-K27 PolarHBondContact O-N 3.05Å; L24-I28 HydrophobicContact CD1-CD1 4.08Å; L24-I28 HydrophobicContact CD1-CG1 4.33Å; L24-I28 HydrophobicContact CD2-CD1 4.48Å; L24-I28 HydrophobicContact CG-CD1 3.86Å; L24-I28 HydrophobicContact CG-CG1 4.48Å; L24-I28 VanDerWaalsContact O-CG1 3.28Å; L24-I28 WeakPolarHBondContact O-CG1 3.28Å; L24-I28 PolarHBondContact O-N 2.97Å
25Q94.6Very high91.8Very high108 Ų10884.7 Ų84.751%0.50543%0.426SS..Hα-helixtrans-63.5-41.5177.5-74.6171.1-20.400111.6M21 S22 D23 I28 K29M21-Q25 HydrophobicContact CB-CB 3.95Å; S22-Q25 WeakPolarHBondContact O-CA 3.21Å; S22-Q25 WeakPolarHBondContact O-CB 3.1Å; S22-Q25 PolarHBondContact O-N 3.1Å; S22-Q25 VanDerWaalsContact OG-CG 3.27Å; S22-Q25 WeakPolarHBondContact OG-CG 3.35Å; S22-Q25 PolarHBondContact OG-N 2.86Å; S22-Q25 PolarHBondContact OG-OE1 2.73Å; D23-Q25 PolarHBondContact O-N 2.94Å; Q25-I28 PolarHBondContact O-N 2.87Å; Q25-K29 VanDerWaalsContact O-CB 3.27Å; Q25-K29 WeakPolarHBondContact O-CB 3.42Å; Q25-K29 PolarHBondContact O-N 2.98Å
26Q92.9Very high92.1Very high76 Ų7680.2 Ų80.236%0.35541%0.413SS..Hα-helixtrans-62.5-45.7175.6-66.4-178.728.600111M21 S22 D23 K29 M30M21-Q26 HydrophobicContact CB-CG 3.74Å; M21-Q26 PolarHBondContact O-NE2 3.17Å; S22-Q26 WeakPolarHBondContact O-CG 3.47Å; S22-Q26 PolarHBondContact O-N 3.31Å; D23-Q26 PolarHBondContact O-N 3.12Å; Q26-K29 PolarHBondContact O-N 3.19Å; Q26-M30 VanDerWaalsContact O-CB 3.26Å; Q26-M30 WeakPolarHBondContact O-CB 3.35Å; Q26-M30 PolarHBondContact O-N 2.85Å
27K93.8Very high92.4Very high117 Ų11783.6 Ų83.651%0.50942%0.42SS..Hα-helixtrans-61.1-45.7176.8-75.4170.7177.6165.30112.6D23 L24 M30 F31D23-K27 WeakPolarHBondContact O-CB 3.34Å; D23-K27 WeakPolarHBondContact O-CG 3.38Å; D23-K27 PolarHBondContact O-N 3.38Å; D23-K27 VanDerWaalsContact OD1-CE 3.28Å; D23-K27 WeakPolarHBondContact OD1-CE 3.35Å; D23-K27 IonicContact OD1-NZ 2.79Å; D23-K27 PolarHBondContact OD1-NZ 3.42Å; D23-K27 WeakPolarHBondContact OD2-CE 3.46Å; D23-K27 IonicContact OD2-NZ 3.82Å; D23-K27 PolarHBondContact OD2-NZ 3.47Å; L24-K27 PolarHBondContact O-N 3.05Å; K27-M30 PolarHBondContact O-N 3.41Å; K27-F31 VanDerWaalsContact O-CB 3.31Å; K27-F31 WeakPolarHBondContact O-CB 3.46Å; K27-F31 PolarHBondContact O-N 3.37Å
28I95.4Very high92.7Very high109 Ų10983.9 Ų83.956%0.55942%0.417SS*.Hα-helixtrans-62.6-45.6176.6-69.3168.8000110.4L24 Q25 F31 G32L24-I28 HydrophobicContact CD1-CD1 4.08Å; L24-I28 HydrophobicContact CD1-CG1 4.33Å; L24-I28 HydrophobicContact CD2-CD1 4.48Å; L24-I28 HydrophobicContact CG-CD1 3.86Å; L24-I28 HydrophobicContact CG-CG1 4.48Å; L24-I28 VanDerWaalsContact O-CG1 3.28Å; L24-I28 WeakPolarHBondContact O-CG1 3.28Å; L24-I28 PolarHBondContact O-N 2.97Å; Q25-I28 PolarHBondContact O-N 2.87Å; I28-F31 PolarHBondContact O-N 3.29Å; I28-G32 PolarHBondContact O-N 3.05Å
29K92.4Very high93.2Very high66 Ų6683 Ų8329%0.28741%0.412SS..Hα-helixtrans-62.8-45.5179.1-170.6176.9177.5172.60111.5L18 M21 Q25 Q26 G32 F33 I95L18-K29 HydrophobicContact CD2-CD 4.01Å; M21-K29 HydrophobicContact CE-CD 4.13Å; M21-K29 HydrophobicContact SD-CD 3.87Å; Q25-K29 VanDerWaalsContact O-CB 3.27Å; Q25-K29 WeakPolarHBondContact O-CB 3.42Å; Q25-K29 PolarHBondContact O-N 2.98Å; Q26-K29 PolarHBondContact O-N 3.19Å; K29-G32 PolarHBondContact O-N 3.13Å; K29-F33 WeakPolarHBondContact O-CB 3.33Å; K29-F33 PolarHBondContact O-N 3.01Å; K29-I95 HydrophobicContact CD-CD1 4.04Å; K29-I95 HydrophobicContact CG-CD1 3.89Å
30M92.8Very high93.5Very high90 Ų9079 Ų7944%0.44339%0.389SS..Hα-helixtrans-65.5-39.1178.1-1751466100111.9Q26 K27 F33 N34Q26-M30 VanDerWaalsContact O-CB 3.26Å; Q26-M30 WeakPolarHBondContact O-CB 3.35Å; Q26-M30 PolarHBondContact O-N 2.85Å; K27-M30 PolarHBondContact O-N 3.41Å; M30-F33 PolarHBondContact O-N 2.86Å; M30-N34 WeakPolarHBondContact CG-ND2 3.23Å; M30-N34 VanDerWaalsContact O-CB 3.32Å; M30-N34 WeakPolarHBondContact O-CB 3.45Å; M30-N34 PolarHBondContact O-N 2.86Å; M30-N34 PolarHBondContact O-ND2 3.07Å
31F94.1Very high93.8Very high145 Ų14571.1 Ų71.164%0.63636%0.36SS*.Hα-helixtrans-61.4-48172.9179.6-95.1000111.6K27 I28 F33 N34 N35K27-F31 VanDerWaalsContact O-CB 3.31Å; K27-F31 WeakPolarHBondContact O-CB 3.46Å; K27-F31 PolarHBondContact O-N 3.37Å; I28-F31 PolarHBondContact O-N 3.29Å; F31-F33 VanDerWaalsContact C-N 3.32Å; F31-F33 PolarHBondContact O-N 2.73Å; F31-N34 PolarHBondContact O-N 2.95Å; F31-N35 WeakPolarHBondContact CD2-ND2 3.48Å; F31-N35 WeakPolarHBondContact CE1-ND2 3.38Å; F31-N35 WeakPolarHBondContact CE2-ND2 3.44Å; F31-N35 VanDerWaalsContact CZ-ND2 3.25Å; F31-N35 WeakPolarHBondContact CZ-ND2 3.27Å; F31-N35 WeakPolarHBondContact O-CB 3.43Å; F31-N35 PolarHBondContact O-N 3.22Å; F31-N35 PolarHBondContact O-ND2 3.39Å
32G93.2Very high94Very high43 Ų4368.6 Ų68.644%0.44335%0.348SS..Hα-helixtrans-62.5-39.3177.200000112.8I28 K29 A36I28-G32 PolarHBondContact O-N 3.05Å; K29-G32 PolarHBondContact O-N 3.13Å; G32-A36 PolarHBondContact O-N 3.4Å
33F93.2Very high94.1Very high12 Ų1266.7 Ų66.75%0.05333%0.333CS..Hα-helixtrans-67-48.4177.9-176.1-94.6000112.2K29 M30 F31 N35 A36 Y38 N39 T93 T94 I95 D98K29-F33 WeakPolarHBondContact O-CB 3.33Å; K29-F33 PolarHBondContact O-N 3.01Å; M30-F33 PolarHBondContact O-N 2.86Å; F31-F33 VanDerWaalsContact C-N 3.32Å; F31-F33 PolarHBondContact O-N 2.73Å; F33-N35 VanDerWaalsContact C-N 3.26Å; F33-N35 PolarHBondContact O-N 2.84Å; F33-A36 VanDerWaalsContact O-CB 3.31Å; F33-A36 WeakPolarHBondContact O-CB 3.32Å; F33-A36 PolarHBondContact O-N 3.37Å; F33-A36 VanDerWaalsContact O-N 3.08Å; F33-Y38 VanDerWaalsContact CD2-OH 3.27Å; F33-Y38 WeakPolarHBondContact CD2-OH 3.42Å; F33-Y38 HydrophobicContact CE2-CE2 4.05Å; F33-Y38 WeakPolarHBondContact CE2-OH 3.32Å; F33-N39 HydrophobicContact CE1-CB 4.07Å; F33-N39 HydrophobicContact CE2-CB 4.38Å; F33-N39 HydrophobicContact CZ-CB 3.84Å; F33-N39 PolarHBondContact O-ND2 3.02Å; F33-N39 PolarHBondContact O-OD1 2.87Å; F33-T93 WeakPolarHBondContact CE1-O 3.39Å; F33-T93 HydrophobicContact CZ-CG2 4.35Å; F33-T93 WeakPolarHBondContact CZ-O 3.28Å; F33-T94 VanDerWaalsContact CZ-C 3.44Å; F33-T94 WeakPolarHBondContact CZ-O 3.24Å; F33-I95 HydrophobicContact CB-CD1 4.42Å; F33-I95 HydrophobicContact CD1-CB 3.94Å; F33-I95 HydrophobicContact CD2-CB 4.47Å; F33-I95 HydrophobicContact CD2-CG1 4.43Å; F33-I95 HydrophobicContact CE1-CB 4.07Å; F33-I95 VanDerWaalsContact CE1-N 3.34Å; F33-I95 HydrophobicContact CG-CB 4.14Å; F33-I95 HydrophobicContact CG-CG1 4.32Å; F33-I95 HydrophobicContact CZ-CB 4.42Å; F33-D98 HydrophobicContact CE2-CB 3.59Å; F33-D98 HydrophobicContact CZ-CB 4.04Å
34N91.7Very high94.1Very high84 Ų8463 Ų6345%0.44931%0.313SS..Hα-helixtrans-65.6-28.9-178.5-72-20.4000113.2M30 F31M30-N34 WeakPolarHBondContact CG-ND2 3.23Å; M30-N34 VanDerWaalsContact O-CB 3.32Å; M30-N34 WeakPolarHBondContact O-CB 3.45Å; M30-N34 PolarHBondContact O-N 2.86Å; M30-N34 PolarHBondContact O-ND2 3.07Å; F31-N34 PolarHBondContact O-N 2.95Å
35N92.7Very high94.1Very high104 Ų10462.5 Ų62.556%0.55631%0.306SS*.THydrogen-bonded Turntrans-86.2-5.8175.9-73.5-66.8000113.7F31 F33F31-N35 WeakPolarHBondContact CD2-ND2 3.48Å; F31-N35 WeakPolarHBondContact CE1-ND2 3.38Å; F31-N35 WeakPolarHBondContact CE2-ND2 3.44Å; F31-N35 VanDerWaalsContact CZ-ND2 3.25Å; F31-N35 WeakPolarHBondContact CZ-ND2 3.27Å; F31-N35 WeakPolarHBondContact O-CB 3.43Å; F31-N35 PolarHBondContact O-N 3.22Å; F31-N35 PolarHBondContact O-ND2 3.39Å; F33-N35 VanDerWaalsContact C-N 3.26Å; F33-N35 PolarHBondContact O-N 2.84Å
36A93.5Very high94Very high19 Ų1957.8 Ų57.816%0.15728%0.284CS..  trans-68.3160.2174.800000110.8G32 F33 Y38 N39 Q40G32-A36 PolarHBondContact O-N 3.4Å; F33-A36 VanDerWaalsContact O-CB 3.31Å; F33-A36 WeakPolarHBondContact O-CB 3.32Å; F33-A36 PolarHBondContact O-N 3.37Å; F33-A36 VanDerWaalsContact O-N 3.08Å; A36-Y38 HydrophobicContact CB-CD1 3.57Å; A36-Y38 HydrophobicContact CB-CE1 3.32Å; A36-N39 PolarHBondContact O-OD1 2.98Å; A36-Q40 WeakPolarHBondContact O-CG 3.39Å; A36-Q40 PolarHBondContact O-NE2 3.18Å
37Y93.2Very high94.1Very high113 Ų11354.6 Ų54.644%0.44327%0.269SS..SBendtrans-92.3-31.4175.2178.3-110.8000112N39 Q40 V41 V86Y37-N39 VanDerWaalsContact C-N 3.33Å; Y37-N39 PolarHBondContact O-N 2.92Å; Y37-Q40 WeakPolarHBondContact O-CB 3.46Å; Y37-Q40 PolarHBondContact O-N 3.17Å; Y37-V41 HydrophobicContact CE1-CG1 3.89Å; Y37-V41 HydrophobicContact CE1-CG2 4.49Å; Y37-V41 HydrophobicContact CE2-CG1 4.14Å; Y37-V41 PolarHBondContact O-N 3.31Å; Y37-V86 HydrophobicContact CE2-CG1 3.83Å
38Y95.4Very high93.9Very high36 Ų3655.1 Ų55.114%0.14127%0.268CS..THydrogen-bonded Turntrans-65.4-34.6-172.771-95000112.5F33 A36 Q40 V41 G42 L43 K45 W48 D98F33-Y38 VanDerWaalsContact CD2-OH 3.27Å; F33-Y38 WeakPolarHBondContact CD2-OH 3.42Å; F33-Y38 HydrophobicContact CE2-CE2 4.05Å; F33-Y38 WeakPolarHBondContact CE2-OH 3.32Å; A36-Y38 HydrophobicContact CB-CD1 3.57Å; A36-Y38 HydrophobicContact CB-CE1 3.32Å; Y38-Q40 VanDerWaalsContact C-N 3.32Å; Y38-Q40 PolarHBondContact O-N 3.48Å; Y38-V41 VanDerWaalsContact O-CG2 3.23Å; Y38-V41 WeakPolarHBondContact O-CG2 3.27Å; Y38-V41 PolarHBondContact O-N 2.77Å; Y38-G42 PolarHBondContact O-N 2.88Å; Y38-L43 WeakPolarHBondContact O-CB 3.23Å; Y38-L43 PolarHBondContact O-N 3.31Å; Y38-K45 HydrophobicContact CE2-CB 4.47Å; Y38-W48 AromaticContact CD1-CE2 3.92Å; Y38-W48 HydrophobicContact CD1-CZ2 4.23Å; Y38-W48 AromaticContact CD1-NE1 3.33Å; Y38-W48 VanDerWaalsContact CD1-NE1 3.33Å; Y38-W48 AromaticContact CD2-NE1 3.75Å; Y38-W48 HydrophobicContact CE1-CZ2 4.33Å; Y38-W48 AromaticContact CE1-NE1 3.81Å; Y38-W48 AromaticContact CG-CD1 3.67Å; Y38-W48 AromaticContact CG-NE1 3.32Å; Y38-W48 VanDerWaalsContact CG-NE1 3.32Å; Y38-D98 PolarHBondContact OH-OD2 3.3Å
39N94.9Very high93.6Very high1 Ų152 Ų521%0.00525%0.252CS..THydrogen-bonded Turntrans-65.7-33.617362-44.9000111.9F33 A36 Y37 V41 G42 W92 T93F33-N39 HydrophobicContact CE1-CB 4.07Å; F33-N39 HydrophobicContact CE2-CB 4.38Å; F33-N39 HydrophobicContact CZ-CB 3.84Å; F33-N39 PolarHBondContact O-ND2 3.02Å; F33-N39 PolarHBondContact O-OD1 2.87Å; A36-N39 PolarHBondContact O-OD1 2.98Å; Y37-N39 VanDerWaalsContact C-N 3.33Å; Y37-N39 PolarHBondContact O-N 2.92Å; N39-V41 VanDerWaalsContact C-N 3.28Å; N39-V41 PolarHBondContact O-N 2.99Å; N39-G42 PolarHBondContact O-N 3.5Å; N39-W92 WeakPolarHBondContact O-CA 3.45Å; N39-T93 PolarHBondContact O-N 2.92Å; N39-T93 VanDerWaalsContact O-N 3.12Å
40Q95.3Very high93.3Very high41 Ų4153.9 Ų53.919%0.19227%0.271CS..THydrogen-bonded Turntrans-69.2-25179.3-50.6-179.717.300113.3A36 Y37 Y38 V86 L87 W92A36-Q40 WeakPolarHBondContact O-CG 3.39Å; A36-Q40 PolarHBondContact O-NE2 3.18Å; Y37-Q40 WeakPolarHBondContact O-CB 3.46Å; Y37-Q40 PolarHBondContact O-N 3.17Å; Y38-Q40 VanDerWaalsContact C-N 3.32Å; Y38-Q40 PolarHBondContact O-N 3.48Å; Q40-V86 HydrophobicContact CB-CB 4.4Å; Q40-V86 HydrophobicContact CB-CG1 4.35Å; Q40-L87 VanDerWaalsContact O-CB 3.29Å; Q40-L87 WeakPolarHBondContact O-CB 3.25Å; Q40-L87 PolarHBondContact O-N 3.3Å; Q40-W92 HydrophobicContact CB-CD2 4.24Å; Q40-W92 HydrophobicContact CB-CZ2 4.01Å; Q40-W92 HydrophobicContact CG-CD2 4.04Å; Q40-W92 HydrophobicContact CG-CE3 4.06Å; Q40-W92 HydrophobicContact CG-CH2 3.73Å; Q40-W92 HydrophobicContact CG-CZ2 3.71Å; Q40-W92 HydrophobicContact CG-CZ3 3.9Å
41V96.2Very high92.9Very high3 Ų354.6 Ų54.62%0.01827%0.273CS..THydrogen-bonded Turntrans-98.13.4173-64.70000112.5Y37 Y38 N39 L43 R76 A77 L80Y37-V41 HydrophobicContact CE1-CG1 3.89Å; Y37-V41 HydrophobicContact CE1-CG2 4.49Å; Y37-V41 HydrophobicContact CE2-CG1 4.14Å; Y37-V41 PolarHBondContact O-N 3.31Å; Y38-V41 VanDerWaalsContact O-CG2 3.23Å; Y38-V41 WeakPolarHBondContact O-CG2 3.27Å; Y38-V41 PolarHBondContact O-N 2.77Å; N39-V41 VanDerWaalsContact C-N 3.28Å; N39-V41 PolarHBondContact O-N 2.99Å; V41-L43 VanDerWaalsContact C-N 3.34Å; V41-L43 HydrophobicContact CG2-CB 4.37Å; V41-L43 HydrophobicContact CG2-CD1 3.83Å; V41-L43 HydrophobicContact CG2-CG 3.81Å; V41-R76 PolarHBondContact O-NE 2.87Å; V41-A77 HydrophobicContact CB-CB 4.1Å; V41-A77 HydrophobicContact CG2-CB 4.03Å; V41-L80 HydrophobicContact CB-CD1 4.03Å; V41-L80 HydrophobicContact CG1-CB 4.31Å; V41-L80 HydrophobicContact CG1-CD1 4.12Å
42G95.2Very high92.7Very high1 Ų150 Ų501%0.0126%0.259CS..THydrogen-bonded Turntrans70.727.6177.500000113.8Y38 N39 R73 R76 T93Y38-G42 PolarHBondContact O-N 2.88Å; N39-G42 PolarHBondContact O-N 3.5Å; G42-R73 WeakPolarHBondContact O-CD 3.25Å; G42-R76 VanDerWaalsContact CA-NH2 3.35Å; G42-R76 PolarHBondContact O-NH2 3.32Å; G42-T93 WeakPolarHBondContact CA-OG1 3.36Å
43L96.3Very high92.7Very high20 Ų2053 Ų5311%0.10527%0.271CS..  trans-80.8157.4168-67.9175000109.7Y38 V41 D47 W48 R73 I74 A77 T93Y38-L43 WeakPolarHBondContact O-CB 3.23Å; Y38-L43 PolarHBondContact O-N 3.31Å; V41-L43 VanDerWaalsContact C-N 3.34Å; V41-L43 HydrophobicContact CG2-CB 4.37Å; V41-L43 HydrophobicContact CG2-CD1 3.83Å; V41-L43 HydrophobicContact CG2-CG 3.81Å; L43-D47 HydrophobicContact CB-CB 4.27Å; L43-D47 HydrophobicContact CD2-CB 3.82Å; L43-W48 HydrophobicContact CD1-CB 4.45Å; L43-R73 HydrophobicContact CD2-CB 4.09Å; L43-R73 WeakPolarHBondContact CD2-O 3.05Å; L43-I74 HydrophobicContact CD2-CG1 4.25Å; L43-A77 HydrophobicContact CD1-CB 3.82Å; L43-A77 HydrophobicContact CD2-CB 3.72Å; L43-A77 HydrophobicContact CG-CB 3.74Å; L43-T93 PolarHBondContact O-OG1 3.48Å
44L95Very high92.8Very high22 Ų2253.8 Ų53.812%0.11528%0.276CS..  trans-95.1161.2163.2-52.3-175.1000109.2H46 D47 T93 D98 Y101L44-H46 PolarHBondContact O-N 3.4Å; L44-D47 PolarHBondContact N-OD2 2.73Å; L44-D47 WeakPolarHBondContact O-CB 3.48Å; L44-D47 PolarHBondContact O-N 3.25Å; L44-T93 HydrophobicContact CD2-CG2 3.48Å; L44-T93 VanDerWaalsContact CD2-CG2 3.48Å; L44-D98 WeakPolarHBondContact CA-OD1 3.45Å; L44-Y101 HydrophobicContact CB-CE1 4.18Å; L44-Y101 HydrophobicContact CD1-CD1 3.7Å; L44-Y101 HydrophobicContact CD1-CE1 3.81Å
45K93.3Very high92.8Very high103 Ų10351.1 Ų51.145%0.44826%0.26SS..Hα-helixtrans-52.9-40.7178.5-175.1-179.7179.6-174.10112.2Y38 D47 W48 L49 D98Y38-K45 HydrophobicContact CE2-CB 4.47Å; K45-D47 PolarHBondContact O-N 2.57Å; K45-W48 PolarHBondContact O-NE1 3.17Å; K45-L49 HydrophobicContact CG-CD1 4.13Å; K45-L49 WeakPolarHBondContact O-CG 3.34Å; K45-D98 WeakPolarHBondContact CB-OD1 3.4Å; K45-D98 PolarHBondContact N-OD1 3.47Å
46H93.1Very high92.9Very high8 Ų850.7 Ų50.74%0.03726%0.257CS..Hα-helixtrans-75.7-4.5179.8-65.9-76.7000115.8L44 W55 P100 Y101 L102 E103L44-H46 PolarHBondContact O-N 3.4Å; H46-W55 HydrophobicContact CB-CH2 3.64Å; H46-W55 HydrophobicContact CB-CZ3 4.14Å; H46-W55 AromaticContact CE1-CZ2 3.87Å; H46-W55 AromaticContact CG-CH2 3.68Å; H46-W55 AromaticContact ND1-CH2 3.03Å; H46-W55 WeakPolarHBondContact ND1-CH2 3.31Å; H46-W55 AromaticContact ND1-CZ2 3.06Å; H46-W55 WeakPolarHBondContact ND1-CZ2 3.5Å; H46-W55 WeakPolarHBondContact O-CZ3 3.41Å; H46-P100 WeakPolarHBondContact CD2-CA 3.33Å; H46-P100 WeakPolarHBondContact NE2-CA 3.28Å; H46-P100 WeakPolarHBondContact NE2-CB 3.38Å; H46-Y101 HydrophobicContact CB-CD1 4.37Å; H46-Y101 HydrophobicContact CB-CE1 3.74Å; H46-L102 HydrophobicContact CB-CB 4.14Å; H46-E103 IonicContact CE1-OE2 3.86Å
47D94.6Very high92.9Very high9 Ų952.3 Ų52.35%0.04826%0.262CS..Hα-helixtrans-81.8-29.3179.9-57.8-25.3000111.9L43 L44 K45 R73 I74 Y101L43-D47 HydrophobicContact CB-CB 4.27Å; L43-D47 HydrophobicContact CD2-CB 3.82Å; L44-D47 PolarHBondContact N-OD2 2.73Å; L44-D47 WeakPolarHBondContact O-CB 3.48Å; L44-D47 PolarHBondContact O-N 3.25Å; K45-D47 PolarHBondContact O-N 2.57Å; D47-R73 IonicContact OD1-CZ 3.74Å; D47-R73 IonicContact OD1-NE 3.73Å; D47-R73 IonicContact OD1-NH2 2.86Å; D47-R73 PolarHBondContact OD1-NH2 3.26Å; D47-R73 IonicContact OD2-CZ 3.49Å; D47-R73 IonicContact OD2-NE 2.73Å; D47-R73 PolarHBondContact OD2-NE 2.99Å; D47-R73 IonicContact OD2-NH2 3.37Å; D47-R73 PolarHBondContact OD2-NH2 2.86Å; D47-I74 HydrophobicContact CB-CG1 4.31Å; D47-Y101 WeakPolarHBondContact OD1-CE1 3.36Å; D47-Y101 PolarHBondContact OD1-OH 3.29Å
48W90.8Very high92.9Very high129 Ų12946.9 Ų46.949%0.48924%0.24SC..Hα-helixtrans-108.6-8.4-172.168.6-94.8000115.2Y38 L43 K45Y38-W48 AromaticContact CD1-CE2 3.92Å; Y38-W48 HydrophobicContact CD1-CZ2 4.23Å; Y38-W48 AromaticContact CD1-NE1 3.33Å; Y38-W48 VanDerWaalsContact CD1-NE1 3.33Å; Y38-W48 AromaticContact CD2-NE1 3.75Å; Y38-W48 HydrophobicContact CE1-CZ2 4.33Å; Y38-W48 AromaticContact CE1-NE1 3.81Å; Y38-W48 AromaticContact CG-CD1 3.67Å; Y38-W48 AromaticContact CG-NE1 3.32Å; Y38-W48 VanDerWaalsContact CG-NE1 3.32Å; L43-W48 HydrophobicContact CD1-CB 4.45Å; K45-W48 PolarHBondContact O-NE1 3.17Å
49L88.3Confident92.8Very high43 Ų4346 Ų4623%0.22524%0.238CC..SBendtrans-66.5147.1179.8-76.8171.2000111.8K45 W55K45-L49 HydrophobicContact CG-CD1 4.13Å; K45-L49 WeakPolarHBondContact O-CG 3.34Å; L49-W55 HydrophobicContact CB-CH2 3.37Å; L49-W55 HydrophobicContact CB-CZ2 3.91Å; L49-W55 HydrophobicContact CB-CZ3 3.73Å; L49-W55 HydrophobicContact CD1-CH2 3.44Å; L49-W55 VanDerWaalsContact CD1-CH2 3.44Å; L49-W55 HydrophobicContact CD1-CZ2 3.5Å; L49-W55 VanDerWaalsContact CD1-CZ2 3.5Å; L49-W55 HydrophobicContact CG-CH2 3.97Å; L49-W55 HydrophobicContact CG-CZ2 4.34Å
50P86Confident92.7Very high105 Ų10553.9 Ų53.968%0.68227%0.268SS*.  trans-58.6138.3-179.8-24.733.7000113.6S52P50-S52 PolarHBondContact O-N 2.93Å
51H84.5Confident92.6Very high106 Ų10655.3 Ų55.349%0.49127%0.271SS..  trans-74.189.6179.6-60.793.7000112.2L56H51-L56 HydrophobicContact CB-CD2 3.84Å; H51-L56 HydrophobicContact CB-CG 4.05Å
52S91.2Very high92.4Very high47 Ų4755.8 Ų55.833%0.32927%0.274SS..  trans-71.5160.1163.869.80000111.5P50 V54 W55 L56P50-S52 PolarHBondContact O-N 2.93Å; S52-V54 VanDerWaalsContact C-N 3.26Å; S52-V54 PolarHBondContact O-N 2.68Å; S52-W55 WeakPolarHBondContact O-CA 3.49Å; S52-W55 VanDerWaalsContact O-CB 3.28Å; S52-W55 WeakPolarHBondContact O-CB 3.18Å; S52-W55 PolarHBondContact O-N 3.27Å; S52-W55 WeakPolarHBondContact OG-CB 3.37Å; S52-W55 VanDerWaalsContact OG-CD1 3.26Å; S52-W55 PolarHBondContact OG-N 3.08Å; S52-L56 PolarHBondContact O-N 3.31Å
53P93.2Very high92.2Very high107 Ų10757.9 Ų57.970%0.69529%0.287SS*.Hα-helixtrans-56-39.4175.2-26.735.2000113.3W55 L56 E57P53-W55 VanDerWaalsContact C-N 3.28Å; P53-W55 PolarHBondContact O-N 3.34Å; P53-L56 PolarHBondContact O-N 3.17Å; P53-E57 PolarHBondContact O-N 3.31Å; P53-E57 VanDerWaalsContact O-N 3.08Å
54V93.6Very high92.1Very high28 Ų2865.5 Ų65.517%0.1732%0.315CS..Hα-helixtrans-59.5-42.3174.6176.50000110.9S52 E57 A58 V106 V109 V110 M113S52-V54 VanDerWaalsContact C-N 3.26Å; S52-V54 PolarHBondContact O-N 2.68Å; V54-E57 PolarHBondContact O-N 3.48Å; V54-A58 WeakPolarHBondContact O-CB 3.46Å; V54-A58 PolarHBondContact O-N 3.45Å; V54-V106 HydrophobicContact CG1-CG1 3.91Å; V54-V109 HydrophobicContact CB-CG1 4.36Å; V54-V109 HydrophobicContact CG1-CB 4.14Å; V54-V109 HydrophobicContact CG1-CG1 3.88Å; V54-V110 HydrophobicContact CG1-CG2 3.7Å; V54-M113 HydrophobicContact CG2-CE 4.42Å; V54-M113 HydrophobicContact CG2-SD 3.68Å
55W93.2Very high91.9Very high28 Ų2872 Ų7211%0.10634%0.344CS..Hα-helixtrans-68.9-42.3179.6-95.357.1000113.6H46 L49 S52 P53 E57 A58 L59 L102H46-W55 HydrophobicContact CB-CH2 3.64Å; H46-W55 HydrophobicContact CB-CZ3 4.14Å; H46-W55 AromaticContact CE1-CZ2 3.87Å; H46-W55 AromaticContact CG-CH2 3.68Å; H46-W55 AromaticContact ND1-CH2 3.03Å; H46-W55 WeakPolarHBondContact ND1-CH2 3.31Å; H46-W55 AromaticContact ND1-CZ2 3.06Å; H46-W55 WeakPolarHBondContact ND1-CZ2 3.5Å; H46-W55 WeakPolarHBondContact O-CZ3 3.41Å; L49-W55 HydrophobicContact CB-CH2 3.37Å; L49-W55 HydrophobicContact CB-CZ2 3.91Å; L49-W55 HydrophobicContact CB-CZ3 3.73Å; L49-W55 HydrophobicContact CD1-CH2 3.44Å; L49-W55 VanDerWaalsContact CD1-CH2 3.44Å; L49-W55 HydrophobicContact CD1-CZ2 3.5Å; L49-W55 VanDerWaalsContact CD1-CZ2 3.5Å; L49-W55 HydrophobicContact CG-CH2 3.97Å; L49-W55 HydrophobicContact CG-CZ2 4.34Å; S52-W55 WeakPolarHBondContact O-CA 3.49Å; S52-W55 VanDerWaalsContact O-CB 3.28Å; S52-W55 WeakPolarHBondContact O-CB 3.18Å; S52-W55 PolarHBondContact O-N 3.27Å; S52-W55 WeakPolarHBondContact OG-CB 3.37Å; S52-W55 VanDerWaalsContact OG-CD1 3.26Å; S52-W55 PolarHBondContact OG-N 3.08Å; P53-W55 VanDerWaalsContact C-N 3.28Å; P53-W55 PolarHBondContact O-N 3.34Å; W55-E57 VanDerWaalsContact C-N 3.28Å; W55-E57 PolarHBondContact O-N 3.29Å; W55-A58 PolarHBondContact O-N 3.26Å; W55-L59 WeakPolarHBondContact O-CB 3.36Å; W55-L59 WeakPolarHBondContact O-CG 3.47Å; W55-L59 PolarHBondContact O-N 3.49Å; W55-L102 HydrophobicContact CD2-CD2 3.7Å; W55-L102 HydrophobicContact CE3-CD2 3.48Å; W55-L102 VanDerWaalsContact CE3-CD2 3.48Å; W55-L102 HydrophobicContact CG-CD2 4.36Å; W55-L102 HydrophobicContact CH2-CD2 4.02Å; W55-L102 HydrophobicContact CZ2-CD2 4.24Å; W55-L102 HydrophobicContact CZ3-CD2 3.66Å
56L94.2Very high91.9Very high95 Ų9570.7 Ų70.750%0.49734%0.342SS..Hα-helixtrans-60.9-42175.4-70.4173.7000110.9H51 S52 P53 L59 R60H51-L56 HydrophobicContact CB-CD2 3.84Å; H51-L56 HydrophobicContact CB-CG 4.05Å; S52-L56 PolarHBondContact O-N 3.31Å; P53-L56 PolarHBondContact O-N 3.17Å; L56-L59 PolarHBondContact O-N 3.49Å; L56-R60 PolarHBondContact O-N 2.96Å
57E94Very high91.9Very high53 Ų5374.2 Ų74.225%0.24836%0.358CS..Hα-helixtrans-68.1-37.4176.4-178.157.8-163.600112.1P53 V54 W55 R60 R61 V109P53-E57 PolarHBondContact O-N 3.31Å; P53-E57 VanDerWaalsContact O-N 3.08Å; V54-E57 PolarHBondContact O-N 3.48Å; W55-E57 VanDerWaalsContact C-N 3.28Å; W55-E57 PolarHBondContact O-N 3.29Å; E57-R60 PolarHBondContact O-N 3.49Å; E57-R60 IonicContact OE1-CZ 3.47Å; E57-R60 IonicContact OE1-NE 3.41Å; E57-R60 PolarHBondContact OE1-NE 3.29Å; E57-R60 IonicContact OE1-NH2 2.71Å; E57-R60 PolarHBondContact OE1-NH2 3.43Å; E57-R60 IonicContact OE2-CZ 3.71Å; E57-R60 IonicContact OE2-NE 2.86Å; E57-R60 PolarHBondContact OE2-NE 3.24Å; E57-R60 IonicContact OE2-NH2 3.69Å; E57-R61 VanDerWaalsContact O-CG 3.32Å; E57-R61 WeakPolarHBondContact O-CG 3.3Å; E57-R61 PolarHBondContact O-N 3.38Å; E57-R61 IonicContact OE1-CZ 2.69Å; E57-R61 IonicContact OE1-NE 3.74Å; E57-R61 PolarHBondContact OE1-NE 3.44Å; E57-R61 IonicContact OE1-NH2 3.48Å; E57-R61 PolarHBondContact OE1-NH2 3.26Å; E57-V109 HydrophobicContact CB-CG1 4.16Å; E57-V109 HydrophobicContact CB-CG2 4.24Å; E57-V109 HydrophobicContact CG-CG1 3.99Å; E57-V109 HydrophobicContact CG-CG2 3.74Å
58A93.3Very high92Very high0 Ų078.3 Ų78.30%038%0.377CS..Hα-helixtrans-63.3-43.1172.600000112V54 W55 R60 R61 L62 L102 V106V54-A58 WeakPolarHBondContact O-CB 3.46Å; V54-A58 PolarHBondContact O-N 3.45Å; W55-A58 PolarHBondContact O-N 3.26Å; A58-R60 VanDerWaalsContact C-N 3.32Å; A58-R60 PolarHBondContact O-N 3.44Å; A58-R61 PolarHBondContact O-N 3.37Å; A58-R61 VanDerWaalsContact O-N 3.17Å; A58-L62 PolarHBondContact O-N 2.98Å; A58-L102 HydrophobicContact CB-CD1 3.78Å; A58-L102 HydrophobicContact CB-CD2 4.36Å; A58-L102 HydrophobicContact CB-CG 3.94Å; A58-V106 HydrophobicContact CB-CG2 3.72Å
59L93.4Very high92.2Very high18 Ų1874.1 Ų74.19%0.09437%0.37CS..Hα-helixtrans-63.4-37.5176.5-74.7171.3000111.9W55 L56 R61 L62 L102W55-L59 WeakPolarHBondContact O-CB 3.36Å; W55-L59 WeakPolarHBondContact O-CG 3.47Å; W55-L59 PolarHBondContact O-N 3.49Å; L56-L59 PolarHBondContact O-N 3.49Å; L59-R61 PolarHBondContact O-N 3.34Å; L59-L62 VanDerWaalsContact O-CB 3.27Å; L59-L62 WeakPolarHBondContact O-CB 2.95Å; L59-L62 PolarHBondContact O-N 2.85Å; L59-L102 HydrophobicContact CD2-CD1 3.93Å; L59-L102 HydrophobicContact CD2-CD2 4.07Å; L59-L102 HydrophobicContact CG-CD1 4.25Å; L59-L102 HydrophobicContact CG-CD2 4.11Å
60R92.9Very high92.5Very high165 Ų16573.3 Ų73.362%0.62336%0.364SS*.Hα-helixtrans-62.8-27.7176-165.7-168.365.272-1.2112.9L56 E57 A58L56-R60 PolarHBondContact O-N 2.96Å; E57-R60 PolarHBondContact O-N 3.49Å; E57-R60 IonicContact OE1-CZ 3.47Å; E57-R60 IonicContact OE1-NE 3.41Å; E57-R60 PolarHBondContact OE1-NE 3.29Å; E57-R60 IonicContact OE1-NH2 2.71Å; E57-R60 PolarHBondContact OE1-NH2 3.43Å; E57-R60 IonicContact OE2-CZ 3.71Å; E57-R60 IonicContact OE2-NE 2.86Å; E57-R60 PolarHBondContact OE2-NE 3.24Å; E57-R60 IonicContact OE2-NH2 3.69Å; A58-R60 VanDerWaalsContact C-N 3.32Å; A58-R60 PolarHBondContact O-N 3.44Å
61R92.4Very high93Very high72 Ų7272 Ų7227%0.27235%0.351SS..THydrogen-bonded Turntrans-89.8-5.8-179.1-65.6171-173.6-1513113.6E57 A58 L59 Y105 E112E57-R61 VanDerWaalsContact O-CG 3.32Å; E57-R61 WeakPolarHBondContact O-CG 3.3Å; E57-R61 PolarHBondContact O-N 3.38Å; E57-R61 IonicContact OE1-CZ 2.69Å; E57-R61 IonicContact OE1-NE 3.74Å; E57-R61 PolarHBondContact OE1-NE 3.44Å; E57-R61 IonicContact OE1-NH2 3.48Å; E57-R61 PolarHBondContact OE1-NH2 3.26Å; A58-R61 PolarHBondContact O-N 3.37Å; A58-R61 VanDerWaalsContact O-N 3.17Å; L59-R61 PolarHBondContact O-N 3.34Å; R61-Y105 HydrophobicContact CB-CD1 3.91Å; R61-Y105 WeakPolarHBondContact O-CE1 3.33Å; R61-E112 IonicContact CZ-OE1 3.31Å; R61-E112 IonicContact CZ-OE2 3.36Å; R61-E112 VanDerWaalsContact CZ-OE2 3.31Å; R61-E112 IonicContact NH1-OE1 3.04Å; R61-E112 PolarHBondContact NH1-OE1 3.43Å; R61-E112 IonicContact NH1-OE2 2.92Å; R61-E112 PolarHBondContact NH1-OE2 2.94Å; R61-E112 IonicContact NH2-OE1 2.71Å; R61-E112 IonicContact NH2-OE2 2.91Å; R61-E112 PolarHBondContact NH2-OE2 2.93Å
62L91.2Very high93.6Very high12 Ų1273.3 Ų73.36%0.06336%0.356CS..SBendtrans-68.7137.2-176-165.268.2000110.7A58 L59 L66 Q67 Y101 Y105A58-L62 PolarHBondContact O-N 2.98Å; L59-L62 VanDerWaalsContact O-CB 3.27Å; L59-L62 WeakPolarHBondContact O-CB 2.95Å; L59-L62 PolarHBondContact O-N 2.85Å; L62-L66 HydrophobicContact CD1-CB 3.9Å; L62-L66 HydrophobicContact CD1-CD1 3.81Å; L62-L66 HydrophobicContact CD2-CB 3.85Å; L62-L66 HydrophobicContact CG-CB 3.71Å; L62-L66 HydrophobicContact CG-CD1 4.48Å; L62-Q67 HydrophobicContact CD2-CB 4.25Å; L62-Y101 HydrophobicContact CD1-CD2 4.18Å; L62-Y101 HydrophobicContact CD2-CD2 4.47Å; L62-Y101 HydrophobicContact CD2-CE2 4.08Å; L62-Y105 HydrophobicContact CD1-CD2 4.02Å; L62-Y105 HydrophobicContact CD1-CE2 3.6Å
63P92.4Very high93.9Very high45 Ų4572.8 Ų72.829%0.29235%0.347SS..  trans-56.1144.3171.3-25.433.1000111.3E65 L66 Q67 Y105P63-E65 VanDerWaalsContact C-N 3.27Å; P63-E65 PolarHBondContact O-N 3.46Å; P63-L66 HydrophobicContact CG-CD1 4.4Å; P63-L66 PolarHBondContact O-N 3.33Å; P63-Q67 PolarHBondContact O-N 2.91Å; P63-Y105 WeakPolarHBondContact CD-OH 3.45Å; P63-Y105 WeakPolarHBondContact CG-OH 3.47Å
64R93Very high94Very high181 Ų18170.1 Ų70.168%0.68333%0.326SS*.Hα-helixtrans-50.9-44.6-177.6-178.4177.3169.8-173.1-6.6113.1L66 Q67 E68R64-L66 VanDerWaalsContact C-N 3.34Å; R64-L66 PolarHBondContact O-N 2.76Å; R64-Q67 WeakPolarHBondContact O-CB 3.49Å; R64-Q67 PolarHBondContact O-N 3.07Å; R64-E68 HydrophobicContact CG-CG 4.26Å; R64-E68 IonicContact CZ-OE1 3.25Å; R64-E68 VanDerWaalsContact CZ-OE1 3.25Å; R64-E68 IonicContact NE-OE1 2.71Å; R64-E68 PolarHBondContact NE-OE1 3.16Å; R64-E68 IonicContact NH2-OE1 2.9Å; R64-E68 PolarHBondContact NH2-OE1 3.4Å; R64-E68 WeakPolarHBondContact O-CG 3.06Å; R64-E68 PolarHBondContact O-N 3.08Å
65E92.2Very high94.2Very high159 Ų15971.6 Ų71.674%0.74334%0.341SS*.Hα-helixtrans-59.2-42.1-180-63.6174.3-173.300112.8P63 A69P63-E65 VanDerWaalsContact C-N 3.27Å; P63-E65 PolarHBondContact O-N 3.46Å; E65-A69 WeakPolarHBondContact O-CB 3.47Å; E65-A69 PolarHBondContact O-N 3.38Å
66L92Very high94.4Very high75 Ų7573.5 Ų73.539%0.39335%0.348SS..Hα-helixtrans-72.9-33.6178.2-68.9-178.5000111.7L62 P63 R64 R70L62-L66 HydrophobicContact CD1-CB 3.9Å; L62-L66 HydrophobicContact CD1-CD1 3.81Å; L62-L66 HydrophobicContact CD2-CB 3.85Å; L62-L66 HydrophobicContact CG-CB 3.71Å; L62-L66 HydrophobicContact CG-CD1 4.48Å; P63-L66 HydrophobicContact CG-CD1 4.4Å; P63-L66 PolarHBondContact O-N 3.33Å; R64-L66 VanDerWaalsContact C-N 3.34Å; R64-L66 PolarHBondContact O-N 2.76Å; L66-R70 WeakPolarHBondContact O-CB 3.09Å; L66-R70 PolarHBondContact O-N 3.04Å
67Q93.3Very high94.6Very high82 Ų8269.5 Ų69.538%0.38333%0.329SS..Hα-helixtrans-65.9-48.7174.2-173.3171.554.200111.1L62 P63 R64 A69 R70 D71L62-Q67 HydrophobicContact CD2-CB 4.25Å; P63-Q67 PolarHBondContact O-N 2.91Å; R64-Q67 WeakPolarHBondContact O-CB 3.49Å; R64-Q67 PolarHBondContact O-N 3.07Å; Q67-A69 VanDerWaalsContact C-N 3.34Å; Q67-A69 PolarHBondContact O-N 2.96Å; Q67-R70 WeakPolarHBondContact O-CB 3.37Å; Q67-R70 PolarHBondContact O-N 3.43Å; Q67-R70 VanDerWaalsContact O-N 3.13Å; Q67-D71 VanDerWaalsContact O-CG 3.23Å; Q67-D71 PolarHBondContact O-N 3.45Å
68E96.3Very high94.7Very high94 Ų9470.3 Ų70.344%0.43934%0.34SS..Hα-helixtrans-60.6-42.5176.3-71.4175.6170.400111.5R64 R70 D71 F72R64-E68 HydrophobicContact CG-CG 4.26Å; R64-E68 IonicContact CZ-OE1 3.25Å; R64-E68 VanDerWaalsContact CZ-OE1 3.25Å; R64-E68 IonicContact NE-OE1 2.71Å; R64-E68 PolarHBondContact NE-OE1 3.16Å; R64-E68 IonicContact NH2-OE1 2.9Å; R64-E68 PolarHBondContact NH2-OE1 3.4Å; R64-E68 WeakPolarHBondContact O-CG 3.06Å; R64-E68 PolarHBondContact O-N 3.08Å; E68-R70 VanDerWaalsContact C-N 3.33Å; E68-R70 PolarHBondContact O-N 2.88Å; E68-D71 PolarHBondContact O-N 3.33Å; E68-F72 WeakPolarHBondContact O-CB 3.26Å; E68-F72 PolarHBondContact O-N 2.87Å
69A95.4Very high94.9Very high41 Ų4176.1 Ų76.134%0.33937%0.371SS..Hα-helixtrans-62.7-38.6175.200000112.5E65 Q67 R73E65-A69 WeakPolarHBondContact O-CB 3.47Å; E65-A69 PolarHBondContact O-N 3.38Å; Q67-A69 VanDerWaalsContact C-N 3.34Å; Q67-A69 PolarHBondContact O-N 2.96Å; A69-R73 WeakPolarHBondContact O-CG 3.21Å; A69-R73 PolarHBondContact O-N 3.45Å; A69-R73 PolarHBondContact O-NH1 2.92Å
70R95.2Very high95.1Very high26 Ų2676.3 Ų76.310%0.09837%0.372CS..Hα-helixtrans-64.4-47.6174.2174.9-175.5-179.7-83-5.6111.2L66 Q67 E68 F72 R73 I74 Y101L66-R70 WeakPolarHBondContact O-CB 3.09Å; L66-R70 PolarHBondContact O-N 3.04Å; Q67-R70 WeakPolarHBondContact O-CB 3.37Å; Q67-R70 PolarHBondContact O-N 3.43Å; Q67-R70 VanDerWaalsContact O-N 3.13Å; E68-R70 VanDerWaalsContact C-N 3.33Å; E68-R70 PolarHBondContact O-N 2.88Å; R70-F72 VanDerWaalsContact C-N 3.28Å; R70-F72 PolarHBondContact O-N 2.71Å; R70-R73 PolarHBondContact O-N 3.38Å; R70-R73 VanDerWaalsContact O-N 3.13Å; R70-I74 HydrophobicContact CG-CD1 3.86Å; R70-I74 WeakPolarHBondContact O-CG1 3.32Å; R70-I74 PolarHBondContact O-N 3.35Å; R70-Y101 VanDerWaalsContact CD-OH 3.23Å; R70-Y101 WeakPolarHBondContact CD-OH 3.5Å
71D95.9Very high95.2Very high78 Ų7875.6 Ų75.642%0.41737%0.37SS..Hα-helixtrans-63.6-37.1-178.4-65.9-17.2000111.1Q67 E68 I74 A75Q67-D71 VanDerWaalsContact O-CG 3.23Å; Q67-D71 PolarHBondContact O-N 3.45Å; E68-D71 PolarHBondContact O-N 3.33Å; D71-I74 PolarHBondContact O-N 2.8Å; D71-A75 VanDerWaalsContact O-CB 3.3Å; D71-A75 WeakPolarHBondContact O-CB 3.31Å; D71-A75 PolarHBondContact O-N 3.08Å
72F97.3Very high95.5Very high134 Ų13475.7 Ų75.759%0.58839%0.387SS*.Hα-helixtrans-60.3-46.6171.4177.6-99.3000112.7E68 R70 I74 A75 R76E68-F72 WeakPolarHBondContact O-CB 3.26Å; E68-F72 PolarHBondContact O-N 2.87Å; R70-F72 VanDerWaalsContact C-N 3.28Å; R70-F72 PolarHBondContact O-N 2.71Å; F72-I74 VanDerWaalsContact C-N 3.33Å; F72-I74 PolarHBondContact O-N 3.17Å; F72-A75 PolarHBondContact O-N 2.93Å; F72-R76 WeakPolarHBondContact O-CB 3.18Å; F72-R76 PolarHBondContact O-N 3.32Å
73R97Very high95.7Very high36 Ų3677.8 Ų77.814%0.13640%0.403CS..Hα-helixtrans-62.3-41.9178.2-69.5-173-54.8-91.95.2111.6G42 L43 D47 A69 R70 R76 A77G42-R73 WeakPolarHBondContact O-CD 3.25Å; L43-R73 HydrophobicContact CD2-CB 4.09Å; L43-R73 WeakPolarHBondContact CD2-O 3.05Å; D47-R73 IonicContact OD1-CZ 3.74Å; D47-R73 IonicContact OD1-NE 3.73Å; D47-R73 IonicContact OD1-NH2 2.86Å; D47-R73 PolarHBondContact OD1-NH2 3.26Å; D47-R73 IonicContact OD2-CZ 3.49Å; D47-R73 IonicContact OD2-NE 2.73Å; D47-R73 PolarHBondContact OD2-NE 2.99Å; D47-R73 IonicContact OD2-NH2 3.37Å; D47-R73 PolarHBondContact OD2-NH2 2.86Å; A69-R73 WeakPolarHBondContact O-CG 3.21Å; A69-R73 PolarHBondContact O-N 3.45Å; A69-R73 PolarHBondContact O-NH1 2.92Å; R70-R73 PolarHBondContact O-N 3.38Å; R70-R73 VanDerWaalsContact O-N 3.13Å; R73-R76 PolarHBondContact O-N 2.82Å; R73-A77 WeakPolarHBondContact O-CB 3.01Å; R73-A77 PolarHBondContact O-N 3.02Å
74I96.6Very high95.9Very high50 Ų5082.5 Ų82.526%0.25642%0.418SS..Hα-helixtrans-65.2-48.1177.5-67.5171.4000110.6L43 D47 R70 D71 F72 R76 A77 S78L43-I74 HydrophobicContact CD2-CG1 4.25Å; D47-I74 HydrophobicContact CB-CG1 4.31Å; R70-I74 HydrophobicContact CG-CD1 3.86Å; R70-I74 WeakPolarHBondContact O-CG1 3.32Å; R70-I74 PolarHBondContact O-N 3.35Å; D71-I74 PolarHBondContact O-N 2.8Å; F72-I74 VanDerWaalsContact C-N 3.33Å; F72-I74 PolarHBondContact O-N 3.17Å; I74-R76 VanDerWaalsContact C-N 3.31Å; I74-R76 PolarHBondContact O-N 3.27Å; I74-A77 PolarHBondContact O-N 2.91Å; I74-A77 VanDerWaalsContact O-N 3.15Å; I74-S78 PolarHBondContact O-N 3.46Å; I74-S78 PolarHBondContact O-OG 2.86Å; I74-S78 VanDerWaalsContact O-OG 3.1Å
75A97.4Very high96Very high60 Ų6079.9 Ų79.950%0.49641%0.414SS..Hα-helixtrans-58.6-43.3177.600000112D71 F72 S78 L79D71-A75 VanDerWaalsContact O-CB 3.3Å; D71-A75 WeakPolarHBondContact O-CB 3.31Å; D71-A75 PolarHBondContact O-N 3.08Å; F72-A75 PolarHBondContact O-N 2.93Å; A75-S78 PolarHBondContact O-N 3.39Å; A75-L79 PolarHBondContact O-N 3Å
76R97.2Very high96.2Very high67 Ų6775.6 Ų75.625%0.25340%0.398SS..Hα-helixtrans-59.7-48.7173.6179.3176.768-174.7-7.1111.7V41 G42 F72 R73 I74 S78 L79 L80V41-R76 PolarHBondContact O-NE 2.87Å; G42-R76 VanDerWaalsContact CA-NH2 3.35Å; G42-R76 PolarHBondContact O-NH2 3.32Å; F72-R76 WeakPolarHBondContact O-CB 3.18Å; F72-R76 PolarHBondContact O-N 3.32Å; R73-R76 PolarHBondContact O-N 2.82Å; I74-R76 VanDerWaalsContact C-N 3.31Å; I74-R76 PolarHBondContact O-N 3.27Å; R76-S78 VanDerWaalsContact C-N 3.32Å; R76-S78 PolarHBondContact O-N 3.48Å; R76-L79 PolarHBondContact O-N 3.45Å; R76-L80 HydrophobicContact CG-CD1 4.03Å; R76-L80 WeakPolarHBondContact O-CG 3.45Å; R76-L80 PolarHBondContact O-N 3.38Å
77A97.1Very high96.4Very high12 Ų1272.7 Ų72.710%0.09938%0.383CS..Hα-helixtrans-62.3-39.2178.800000112V41 L43 R73 I74 L80 Y81V41-A77 HydrophobicContact CB-CB 4.1Å; V41-A77 HydrophobicContact CG2-CB 4.03Å; L43-A77 HydrophobicContact CD1-CB 3.82Å; L43-A77 HydrophobicContact CD2-CB 3.72Å; L43-A77 HydrophobicContact CG-CB 3.74Å; R73-A77 WeakPolarHBondContact O-CB 3.01Å; R73-A77 PolarHBondContact O-N 3.02Å; I74-A77 PolarHBondContact O-N 2.91Å; I74-A77 VanDerWaalsContact O-N 3.15Å; A77-L80 PolarHBondContact O-N 3.15Å; A77-Y81 VanDerWaalsContact O-CB 3.28Å; A77-Y81 WeakPolarHBondContact O-CB 3.06Å; A77-Y81 PolarHBondContact O-N 3.48Å
78S96.9Very high96.5Very high69 Ų6972.1 Ų72.148%0.48339%0.386SS..Hα-helixtrans-62.4-42.5174.1-61.10000112.2I74 A75 R76 Y81 A82I74-S78 PolarHBondContact O-N 3.46Å; I74-S78 PolarHBondContact O-OG 2.86Å; I74-S78 VanDerWaalsContact O-OG 3.1Å; A75-S78 PolarHBondContact O-N 3.39Å; R76-S78 VanDerWaalsContact C-N 3.32Å; R76-S78 PolarHBondContact O-N 3.48Å; S78-Y81 PolarHBondContact O-N 2.8Å; S78-A82 WeakPolarHBondContact O-CB 3.46Å; S78-A82 PolarHBondContact O-N 2.67Å
79L97.4Very high96.4Very high123 Ų12375 Ų7564%0.64440%0.397SS*.Hα-helixtrans-64.1-43.9176.4179.463.8000112.1A75 R76 A82 S83A75-L79 PolarHBondContact O-N 3Å; R76-L79 PolarHBondContact O-N 3.45Å; L79-A82 PolarHBondContact O-N 3.46Å; L79-S83 WeakPolarHBondContact O-CB 3.25Å; L79-S83 PolarHBondContact O-N 3.32Å; L79-S83 PolarHBondContact O-OG 3.44Å
80L97.4Very high96.3Very high22 Ų2280.9 Ų80.912%0.11542%0.418CS..Hα-helixtrans-63.7-42.4176.1-71.4171.5000111.6V41 R76 A77 A82 S83 K84 H85 L87V41-L80 HydrophobicContact CB-CD1 4.03Å; V41-L80 HydrophobicContact CG1-CB 4.31Å; V41-L80 HydrophobicContact CG1-CD1 4.12Å; R76-L80 HydrophobicContact CG-CD1 4.03Å; R76-L80 WeakPolarHBondContact O-CG 3.45Å; R76-L80 PolarHBondContact O-N 3.38Å; A77-L80 PolarHBondContact O-N 3.15Å; L80-A82 VanDerWaalsContact C-N 3.35Å; L80-A82 PolarHBondContact O-N 3.4Å; L80-S83 WeakPolarHBondContact CA-OG 3.46Å; L80-S83 CarbonylContact O-C 3.57Å; L80-S83 PolarHBondContact O-N 3.22Å; L80-S83 PolarHBondContact O-OG 3.17Å; L80-S83 VanDerWaalsContact O-OG 3.13Å; L80-K84 PolarHBondContact O-N 3.28Å; L80-H85 WeakPolarHBondContact CB-O 3.49Å; L80-H85 HydrophobicContact CD2-CB 4.28Å; L80-H85 PolarHBondContact O-N 3.48Å; L80-L87 HydrophobicContact CD1-CD1 4.38Å; L80-L87 HydrophobicContact CD1-CD2 3.68Å; L80-L87 HydrophobicContact CD1-CG 3.63Å; L80-L87 HydrophobicContact CD2-CD2 4.3Å
81Y96Very high96.3Very high149 Ų14984.9 Ų84.958%0.58444%0.437SS*.Hα-helixtrans-63-40.2175.7177.9-97.8000112.6A77 S78 K84A77-Y81 VanDerWaalsContact O-CB 3.28Å; A77-Y81 WeakPolarHBondContact O-CB 3.06Å; A77-Y81 PolarHBondContact O-N 3.48Å; S78-Y81 PolarHBondContact O-N 2.8Å; Y81-K84 WeakPolarHBondContact O-CD 3.03Å; Y81-K84 WeakPolarHBondContact O-CE 3.46Å; Y81-K84 PolarHBondContact O-N 2.88Å; Y81-K84 PolarHBondContact O-NZ 3.29Å
82A97.5Very high96.3Very high75 Ų7584.2 Ų84.262%0.6243%0.429SS*.Hα-helixtrans-66.7-42.117700000111.6S78 L79 L80 K84S78-A82 WeakPolarHBondContact O-CB 3.46Å; S78-A82 PolarHBondContact O-N 2.67Å; L79-A82 PolarHBondContact O-N 3.46Å; L80-A82 VanDerWaalsContact C-N 3.35Å; L80-A82 PolarHBondContact O-N 3.4Å; A82-K84 VanDerWaalsContact C-N 3.32Å; A82-K84 PolarHBondContact O-N 2.69Å
83S96.6Very high96.2Very high56 Ų5678.7 Ų78.739%0.39241%0.407SS..Hα-helixtrans-80.3-7.6178.556.10000114.1L79 L80 H85L79-S83 WeakPolarHBondContact O-CB 3.25Å; L79-S83 PolarHBondContact O-N 3.32Å; L79-S83 PolarHBondContact O-OG 3.44Å; L80-S83 WeakPolarHBondContact CA-OG 3.46Å; L80-S83 CarbonylContact O-C 3.57Å; L80-S83 PolarHBondContact O-N 3.22Å; L80-S83 PolarHBondContact O-OG 3.17Å; L80-S83 VanDerWaalsContact O-OG 3.13Å; S83-H85 PolarHBondContact O-CE1 2.59Å; S83-H85 PolarHBondContact O-N 2.78Å; S83-H85 PolarHBondContact O-ND1 2.79Å
84K95.5Very high96Very high144 Ų14479.7 Ų79.763%0.62642%0.417SS*.THydrogen-bonded Turntrans58.133.7-174.1-51.7-61.5171.9-153.80113.4L80 Y81 A82L80-K84 PolarHBondContact O-N 3.28Å; Y81-K84 WeakPolarHBondContact O-CD 3.03Å; Y81-K84 WeakPolarHBondContact O-CE 3.46Å; Y81-K84 PolarHBondContact O-N 2.88Å; Y81-K84 PolarHBondContact O-NZ 3.29Å; A82-K84 VanDerWaalsContact C-N 3.32Å; A82-K84 PolarHBondContact O-N 2.69Å
85H95.8Very high95.7Very high126 Ų12678.2 Ų78.258%0.58341%0.409SS*.  trans-111.8163175.9-73.174.8000111L80 S83L80-H85 WeakPolarHBondContact CB-O 3.49Å; L80-H85 HydrophobicContact CD2-CB 4.28Å; L80-H85 PolarHBondContact O-N 3.48Å; S83-H85 PolarHBondContact O-CE1 2.59Å; S83-H85 PolarHBondContact O-N 2.78Å; S83-H85 PolarHBondContact O-ND1 2.79Å
86V95.8Very high95.4Very high68 Ų6880 Ų8041%0.41241%0.407SS..  trans-120.7161.9169.9-66.40000109.1Y37 Q40Y37-V86 HydrophobicContact CE2-CG1 3.83Å; Q40-V86 HydrophobicContact CB-CB 4.4Å; Q40-V86 HydrophobicContact CB-CG1 4.35Å
87L96.1Very high95Very high15 Ų1580.8 Ų80.88%0.07942%0.416CS..  trans-67.1154.4174.5-64.3173.8000110.5Q40 L80 Q91 W92Q40-L87 VanDerWaalsContact O-CB 3.29Å; Q40-L87 WeakPolarHBondContact O-CB 3.25Å; Q40-L87 PolarHBondContact O-N 3.3Å; L80-L87 HydrophobicContact CD1-CD1 4.38Å; L80-L87 HydrophobicContact CD1-CD2 3.68Å; L80-L87 HydrophobicContact CD1-CG 3.63Å; L80-L87 HydrophobicContact CD2-CD2 4.3Å; L87-Q91 HydrophobicContact CB-CB 4.09Å; L87-Q91 HydrophobicContact CD1-CB 4.29Å; L87-W92 PolarHBondContact O-NE1 2.94Å
88P96.2Very high94.9Very high69 Ų6980.6 Ų80.645%0.44841%0.413SS..  trans-53.3147.7162.6-22.833.7000110.8E90 Q91 W92P88-E90 WeakPolarHBondContact CB-OE2 3.38Å; P88-E90 PolarHBondContact O-N 2.82Å; P88-E90 VanDerWaalsContact O-N 3.12Å; P88-Q91 PolarHBondContact O-N 2.9Å; P88-W92 PolarHBondContact O-NE1 3.31Å
89K93.7Very high94.6Very high154 Ų15478.6 Ų78.667%0.6740%0.397SS*.G310 helixtrans-59.7-29.4-172.9-170.9174.2179.8179.50112.8Q91 W92K89-Q91 PolarHBondContact O-N 3.34Å; K89-W92 HydrophobicContact CG-CD2 4.25Å; K89-W92 HydrophobicContact CG-CE3 4.26Å; K89-W92 WeakPolarHBondContact O-CB 3.32Å; K89-W92 PolarHBondContact O-N 3.35Å
90E94.7Very high94.3Very high165 Ų16573.7 Ų73.777%0.77137%0.373SS*.G310 helixtrans-67.5-20.9177.6-57.470.2-150.100112.5P88P88-E90 WeakPolarHBondContact CB-OE2 3.38Å; P88-E90 PolarHBondContact O-N 2.82Å; P88-E90 VanDerWaalsContact O-N 3.12Å
91Q94.7Very high94Very high110 Ų11073.7 Ų73.751%0.51437%0.371SS..G310 helixtrans-102.74.5179.8-61.3-177.28.800112.9L87 P88 K89L87-Q91 HydrophobicContact CB-CB 4.09Å; L87-Q91 HydrophobicContact CD1-CB 4.29Å; P88-Q91 PolarHBondContact O-N 2.9Å; K89-Q91 PolarHBondContact O-N 3.34Å
92W95.6Very high93.7Very high65 Ų6566.6 Ų66.625%0.24634%0.344CS..SBendtrans-69.3142.2176.1-68.59.9000109.9N39 Q40 L87 P88 K89 T94N39-W92 WeakPolarHBondContact O-CA 3.45Å; Q40-W92 HydrophobicContact CB-CD2 4.24Å; Q40-W92 HydrophobicContact CB-CZ2 4.01Å; Q40-W92 HydrophobicContact CG-CD2 4.04Å; Q40-W92 HydrophobicContact CG-CE3 4.06Å; Q40-W92 HydrophobicContact CG-CH2 3.73Å; Q40-W92 HydrophobicContact CG-CZ2 3.71Å; Q40-W92 HydrophobicContact CG-CZ3 3.9Å; L87-W92 PolarHBondContact O-NE1 2.94Å; P88-W92 PolarHBondContact O-NE1 3.31Å; K89-W92 HydrophobicContact CG-CD2 4.25Å; K89-W92 HydrophobicContact CG-CE3 4.26Å; K89-W92 WeakPolarHBondContact O-CB 3.32Å; K89-W92 PolarHBondContact O-N 3.35Å; W92-T94 PolarHBondContact O-N 2.89Å
93T94.8Very high93.4Very high18 Ų1866.4 Ų66.411%0.1133%0.33CS..PPolyproline II helixtrans-57.9130.3172.8-50.90000108.7F33 N39 G42 L43 L44 D97 D98F33-T93 WeakPolarHBondContact CE1-O 3.39Å; F33-T93 HydrophobicContact CZ-CG2 4.35Å; F33-T93 WeakPolarHBondContact CZ-O 3.28Å; N39-T93 PolarHBondContact O-N 2.92Å; N39-T93 VanDerWaalsContact O-N 3.12Å; G42-T93 WeakPolarHBondContact CA-OG1 3.36Å; L43-T93 PolarHBondContact O-OG1 3.48Å; L44-T93 HydrophobicContact CD2-CG2 3.48Å; L44-T93 VanDerWaalsContact CD2-CG2 3.48Å; T93-D97 HydrophobicContact CG2-CB 4.29Å; T93-D98 HydrophobicContact CG2-CB 4.19Å
94T93Very high93.1Very high57 Ų5765 Ų6535%0.3532%0.319SS..PPolyproline II helixtrans-83.6160.5173.268.60000110.8F33 W92 E96 D97 D98F33-T94 VanDerWaalsContact CZ-C 3.44Å; F33-T94 WeakPolarHBondContact CZ-O 3.24Å; W92-T94 PolarHBondContact O-N 2.89Å; T94-E96 WeakPolarHBondContact CB-OE2 3.48Å; T94-E96 PolarHBondContact O-N 3.47Å; T94-D97 PolarHBondContact O-N 2.95Å; T94-D97 VanDerWaalsContact O-N 3.17Å; T94-D97 VanDerWaalsContact OG1-CB 3.32Å; T94-D97 WeakPolarHBondContact OG1-CB 3.33Å; T94-D97 PolarHBondContact OG1-N 2.79Å; T94-D97 PolarHBondContact OG1-OD2 3.03Å; T94-D98 PolarHBondContact O-N 3.15Å
95I91.4Very high92.9Very high18 Ų1860 Ų609%0.09230%0.296CS..THydrogen-bonded Turntrans-65.7-28.2179.3-172.2171.2000111.6K29 F33K29-I95 HydrophobicContact CD-CD1 4.04Å; K29-I95 HydrophobicContact CG-CD1 3.89Å; F33-I95 HydrophobicContact CB-CD1 4.42Å; F33-I95 HydrophobicContact CD1-CB 3.94Å; F33-I95 HydrophobicContact CD2-CB 4.47Å; F33-I95 HydrophobicContact CD2-CG1 4.43Å; F33-I95 HydrophobicContact CE1-CB 4.07Å; F33-I95 VanDerWaalsContact CE1-N 3.34Å; F33-I95 HydrophobicContact CG-CB 4.14Å; F33-I95 HydrophobicContact CG-CG1 4.32Å; F33-I95 HydrophobicContact CZ-CB 4.42Å
96E89.1Confident92.8Very high99 Ų9954.7 Ų54.746%0.46327%0.273SS..THydrogen-bonded Turntrans-72.9-30.2176.2-62.474.6-160.900112.7T94T94-E96 WeakPolarHBondContact CB-OE2 3.48Å; T94-E96 PolarHBondContact O-N 3.47Å
97D90.6Very high92.6Very high83 Ų8355.5 Ų55.544%0.44428%0.275SS..THydrogen-bonded Turntrans-89.4-16.5178.3-64.8-35.4000113.1T93 T94 I99T93-D97 HydrophobicContact CG2-CB 4.29Å; T94-D97 PolarHBondContact O-N 2.95Å; T94-D97 VanDerWaalsContact O-N 3.17Å; T94-D97 VanDerWaalsContact OG1-CB 3.32Å; T94-D97 WeakPolarHBondContact OG1-CB 3.33Å; T94-D97 PolarHBondContact OG1-N 2.79Å; T94-D97 PolarHBondContact OG1-OD2 3.03Å; D97-I99 PolarHBondContact O-N 2.9Å
98D93.1Very high92.4Very high7 Ų756.7 Ų56.74%0.03728%0.283CS..  trans-72.462.8171.7-169.138000112Y14 F33 Y38 L44 K45 T93 T94Y14-D98 VanDerWaalsContact CE1-O 3.25Å; Y14-D98 WeakPolarHBondContact CE1-O 3.42Å; Y14-D98 PolarHBondContact OH-O 3.28Å; F33-D98 HydrophobicContact CE2-CB 3.59Å; F33-D98 HydrophobicContact CZ-CB 4.04Å; Y38-D98 PolarHBondContact OH-OD2 3.3Å; L44-D98 WeakPolarHBondContact CA-OD1 3.45Å; K45-D98 WeakPolarHBondContact CB-OD1 3.4Å; K45-D98 PolarHBondContact N-OD1 3.47Å; T93-D98 HydrophobicContact CG2-CB 4.19Å; T94-D98 PolarHBondContact O-N 3.15Å
99I90.9Very high92.3Very high27 Ų2753.6 Ų53.614%0.13826%0.263CS..  trans-79130.7-176.9-64.3166.5000109F10 I11 D97 Y101F10-I99 HydrophobicContact CE1-CG2 4.46Å; I11-I99 HydrophobicContact CD1-CD1 4.32Å; I11-I99 HydrophobicContact CG1-CD1 4.12Å; I11-I99 HydrophobicContact CG1-CG2 3.87Å; I11-I99 HydrophobicContact CG2-CD1 3.84Å; D97-I99 PolarHBondContact O-N 2.9Å; I99-Y101 PolarHBondContact O-N 3.27Å
100P91.2Very high92.3Very high20 Ų2049.8 Ų49.813%0.1325%0.252CS..  trans-73.561.8176.922.4-25.8000113.7F10 Y14 H46 L102 E103F10-P100 HydrophobicContact CE1-CB 4.22Å; F10-P100 HydrophobicContact CE1-CG 3.74Å; F10-P100 WeakPolarHBondContact CE1-O 3.3Å; F10-P100 HydrophobicContact CZ-CB 4.09Å; F10-P100 HydrophobicContact CZ-CG 3.67Å; F10-P100 WeakPolarHBondContact CZ-O 3.49Å; Y14-P100 VanDerWaalsContact CD1-CD 3.44Å; Y14-P100 HydrophobicContact CD1-CG 4.27Å; Y14-P100 HydrophobicContact CD2-CG 3.37Å; Y14-P100 VanDerWaalsContact CE1-CD 3.43Å; Y14-P100 HydrophobicContact CE1-CG 4.34Å; Y14-P100 HydrophobicContact CE2-CG 3.48Å; Y14-P100 VanDerWaalsContact CE2-CG 3.48Å; Y14-P100 VanDerWaalsContact CG-CD 3.46Å; Y14-P100 HydrophobicContact CG-CG 3.8Å; Y14-P100 VanDerWaalsContact CZ-CD 3.46Å; H46-P100 WeakPolarHBondContact CD2-CA 3.33Å; H46-P100 WeakPolarHBondContact NE2-CA 3.28Å; H46-P100 WeakPolarHBondContact NE2-CB 3.38Å; P100-L102 PolarHBondContact O-N 3.35Å; P100-L102 VanDerWaalsContact O-N 3.08Å; P100-E103 HydrophobicContact CB-CB 4.18Å; P100-E103 WeakPolarHBondContact O-CB 3.46Å; P100-E103 PolarHBondContact O-N 2.84Å
101Y90.7Very high92.3Very high23 Ų2348.5 Ų48.59%0.0924%0.244CC..THydrogen-bonded Turntrans-61.1-23-167.768-94.4000115L44 H46 D47 L62 R70 I99 P104L44-Y101 HydrophobicContact CB-CE1 4.18Å; L44-Y101 HydrophobicContact CD1-CD1 3.7Å; L44-Y101 HydrophobicContact CD1-CE1 3.81Å; H46-Y101 HydrophobicContact CB-CD1 4.37Å; H46-Y101 HydrophobicContact CB-CE1 3.74Å; D47-Y101 WeakPolarHBondContact OD1-CE1 3.36Å; D47-Y101 PolarHBondContact OD1-OH 3.29Å; L62-Y101 HydrophobicContact CD1-CD2 4.18Å; L62-Y101 HydrophobicContact CD2-CD2 4.47Å; L62-Y101 HydrophobicContact CD2-CE2 4.08Å; R70-Y101 VanDerWaalsContact CD-OH 3.23Å; R70-Y101 WeakPolarHBondContact CD-OH 3.5Å; I99-Y101 PolarHBondContact O-N 3.27Å; Y101-P104 WeakPolarHBondContact O-CD 3.3Å
102L91.6Very high92.2Very high0 Ų046.4 Ų46.40%023%0.234CC..THydrogen-bonded Turntrans-86.2-20.1-179.1-16463.2000112.3H46 W55 A58 L59 P100 P104 Y105 V106H46-L102 HydrophobicContact CB-CB 4.14Å; W55-L102 HydrophobicContact CD2-CD2 3.7Å; W55-L102 HydrophobicContact CE3-CD2 3.48Å; W55-L102 VanDerWaalsContact CE3-CD2 3.48Å; W55-L102 HydrophobicContact CG-CD2 4.36Å; W55-L102 HydrophobicContact CH2-CD2 4.02Å; W55-L102 HydrophobicContact CZ2-CD2 4.24Å; W55-L102 HydrophobicContact CZ3-CD2 3.66Å; A58-L102 HydrophobicContact CB-CD1 3.78Å; A58-L102 HydrophobicContact CB-CD2 4.36Å; A58-L102 HydrophobicContact CB-CG 3.94Å; L59-L102 HydrophobicContact CD2-CD1 3.93Å; L59-L102 HydrophobicContact CD2-CD2 4.07Å; L59-L102 HydrophobicContact CG-CD1 4.25Å; L59-L102 HydrophobicContact CG-CD2 4.11Å; P100-L102 PolarHBondContact O-N 3.35Å; P100-L102 VanDerWaalsContact O-N 3.08Å; L102-P104 VanDerWaalsContact C-CD 3.46Å; L102-Y105 WeakPolarHBondContact O-CB 3.32Å; L102-Y105 PolarHBondContact O-N 2.71Å; L102-V106 HydrophobicContact CD2-CG2 4.37Å; L102-V106 HydrophobicContact CG-CG2 4.04Å; L102-V106 WeakPolarHBondContact O-CG2 3.28Å; L102-V106 PolarHBondContact O-N 3.04Å
103E91Very high92.2Very high71 Ų7147.9 Ų47.933%0.33225%0.245SC..Hα-helixtrans-54.5-42.9-175.5-168.172.8-171.600114F10 H46 P100 Y105 V106 N107F10-E103 HydrophobicContact CE1-CB 4.34Å; F10-E103 HydrophobicContact CE2-CB 3.95Å; F10-E103 HydrophobicContact CE2-CG 3.94Å; F10-E103 HydrophobicContact CZ-CB 3.49Å; F10-E103 VanDerWaalsContact CZ-CB 3.49Å; F10-E103 HydrophobicContact CZ-CG 3.85Å; H46-E103 IonicContact CE1-OE2 3.86Å; P100-E103 HydrophobicContact CB-CB 4.18Å; P100-E103 WeakPolarHBondContact O-CB 3.46Å; P100-E103 PolarHBondContact O-N 2.84Å; E103-Y105 VanDerWaalsContact C-N 3.25Å; E103-Y105 PolarHBondContact O-N 2.92Å; E103-V106 PolarHBondContact O-N 3.41Å; E103-N107 WeakPolarHBondContact O-CB 3.27Å; E103-N107 VanDerWaalsContact O-CG 3.28Å; E103-N107 PolarHBondContact O-N 3.29Å; E103-N107 PolarHBondContact O-ND2 3.39Å
104P90Very high92.2Very high25 Ų2549.8 Ų49.816%0.16226%0.259CS..Hα-helixtrans-60.6-36.8177.6-22.735.1000112.4F10 Y101 L102 V108F10-P104 HydrophobicContact CB-CG 4.25Å; F10-P104 HydrophobicContact CD1-CG 3.97Å; F10-P104 HydrophobicContact CD2-CG 3.88Å; F10-P104 HydrophobicContact CE1-CG 4.29Å; F10-P104 HydrophobicContact CE2-CG 4.19Å; F10-P104 HydrophobicContact CG-CG 3.75Å; F10-P104 HydrophobicContact CZ-CG 4.39Å; Y101-P104 WeakPolarHBondContact O-CD 3.3Å; L102-P104 VanDerWaalsContact C-CD 3.46Å; P104-V108 WeakPolarHBondContact O-CG2 3.49Å; P104-V108 PolarHBondContact O-N 2.91Å
105Y91.2Very high92.3Very high39 Ų3951.1 Ų51.115%0.15326%0.264CS..Hα-helixtrans-74.6-41.1179-58.6-85.2000111.3R61 L62 P63 L102 E103 N107 V108 V109R61-Y105 HydrophobicContact CB-CD1 3.91Å; R61-Y105 WeakPolarHBondContact O-CE1 3.33Å; L62-Y105 HydrophobicContact CD1-CD2 4.02Å; L62-Y105 HydrophobicContact CD1-CE2 3.6Å; P63-Y105 WeakPolarHBondContact CD-OH 3.45Å; P63-Y105 WeakPolarHBondContact CG-OH 3.47Å; L102-Y105 WeakPolarHBondContact O-CB 3.32Å; L102-Y105 PolarHBondContact O-N 2.71Å; E103-Y105 VanDerWaalsContact C-N 3.25Å; E103-Y105 PolarHBondContact O-N 2.92Å; Y105-N107 VanDerWaalsContact C-N 3.34Å; Y105-N107 PolarHBondContact O-N 3.41Å; Y105-V108 PolarHBondContact O-N 3.48Å; Y105-V109 WeakPolarHBondContact O-CG2 3.33Å; Y105-V109 PolarHBondContact O-N 3.35Å
106V92.7Very high92.4Very high15 Ų1557.7 Ų57.79%0.09129%0.288CS..Hα-helixtrans-58.3-46.8174.2169.60000110.5V54 A58 L102 E103 V108 V109 V110V54-V106 HydrophobicContact CG1-CG1 3.91Å; A58-V106 HydrophobicContact CB-CG2 3.72Å; L102-V106 HydrophobicContact CD2-CG2 4.37Å; L102-V106 HydrophobicContact CG-CG2 4.04Å; L102-V106 WeakPolarHBondContact O-CG2 3.28Å; L102-V106 PolarHBondContact O-N 3.04Å; E103-V106 PolarHBondContact O-N 3.41Å; V106-V108 VanDerWaalsContact C-N 3.3Å; V106-V108 PolarHBondContact O-N 3Å; V106-V109 PolarHBondContact O-N 2.99Å; V106-V109 VanDerWaalsContact O-N 3.15Å; V106-V110 HydrophobicContact CG1-CG2 4.12Å; V106-V110 WeakPolarHBondContact O-CG2 3.27Å; V106-V110 PolarHBondContact O-N 3.25Å
107N92.1Very high92.6Very high85 Ų8555.8 Ų55.846%0.45529%0.285SS..Hα-helixtrans-60.8-38.7179.5-73.2-25.8000112.7E103 Y105 K111E103-N107 WeakPolarHBondContact O-CB 3.27Å; E103-N107 VanDerWaalsContact O-CG 3.28Å; E103-N107 PolarHBondContact O-N 3.29Å; E103-N107 PolarHBondContact O-ND2 3.39Å; Y105-N107 VanDerWaalsContact C-N 3.34Å; Y105-N107 PolarHBondContact O-N 3.41Å; N107-K111 VanDerWaalsContact O-CB 3.27Å; N107-K111 WeakPolarHBondContact O-CB 3.36Å; N107-K111 PolarHBondContact O-N 3.24Å
108V91.9Very high92.8Very high40 Ų4056.6 Ų56.624%0.24229%0.29CS..Hα-helixtrans-65.2-46.1174.9173.70000110.8Y3 P104 Y105 V106 K111 E112Y3-V108 HydrophobicContact CE1-CG1 4.41Å; Y3-V108 HydrophobicContact CE1-CG2 4.09Å; P104-V108 WeakPolarHBondContact O-CG2 3.49Å; P104-V108 PolarHBondContact O-N 2.91Å; Y105-V108 PolarHBondContact O-N 3.48Å; V106-V108 VanDerWaalsContact C-N 3.3Å; V106-V108 PolarHBondContact O-N 3Å; V108-K111 PolarHBondContact O-N 3.28Å; V108-E112 VanDerWaalsContact CG1-OE1 3.3Å; V108-E112 WeakPolarHBondContact CG1-OE1 3.44Å; V108-E112 WeakPolarHBondContact O-CG 3.41Å; V108-E112 PolarHBondContact O-N 3.45Å
109V93.4Very high92.8Very high4 Ų465.3 Ų65.32%0.02432%0.322CS..Hα-helixtrans-63.8-45.7179.5176.10000111.4V54 E57 Y105 V106 K111 E112 M113V54-V109 HydrophobicContact CB-CG1 4.36Å; V54-V109 HydrophobicContact CG1-CB 4.14Å; V54-V109 HydrophobicContact CG1-CG1 3.88Å; E57-V109 HydrophobicContact CB-CG1 4.16Å; E57-V109 HydrophobicContact CB-CG2 4.24Å; E57-V109 HydrophobicContact CG-CG1 3.99Å; E57-V109 HydrophobicContact CG-CG2 3.74Å; Y105-V109 WeakPolarHBondContact O-CG2 3.33Å; Y105-V109 PolarHBondContact O-N 3.35Å; V106-V109 PolarHBondContact O-N 2.99Å; V106-V109 VanDerWaalsContact O-N 3.15Å; V109-K111 VanDerWaalsContact C-N 3.31Å; V109-K111 PolarHBondContact O-N 3.34Å; V109-E112 PolarHBondContact O-N 3Å; V109-M113 HydrophobicContact CG1-CG 4.46Å; V109-M113 HydrophobicContact CG1-SD 4.09Å; V109-M113 WeakPolarHBondContact O-CG 3.27Å; V109-M113 PolarHBondContact O-N 3.34Å
110V94.4Very high92.9Very high75 Ų7569.6 Ų69.646%0.45535%0.345SS..Hα-helixtrans-60.6-42.6177.3171.30000110.7V54 V106 M113 S114V54-V110 HydrophobicContact CG1-CG2 3.7Å; V106-V110 HydrophobicContact CG1-CG2 4.12Å; V106-V110 WeakPolarHBondContact O-CG2 3.27Å; V106-V110 PolarHBondContact O-N 3.25Å; V110-M113 PolarHBondContact O-N 3.36Å; V110-S114 WeakPolarHBondContact O-CB 3.46Å; V110-S114 PolarHBondContact O-N 3.01Å
111K94.1Very high92.9Very high138 Ų13874.3 Ų74.360%0.637%0.37SS*.Hα-helixtrans-61.5-49176.1-173.9-178.9178-175.60111.6N107 V108 V109 M113 S114 D115N107-K111 VanDerWaalsContact O-CB 3.27Å; N107-K111 WeakPolarHBondContact O-CB 3.36Å; N107-K111 PolarHBondContact O-N 3.24Å; V108-K111 PolarHBondContact O-N 3.28Å; V109-K111 VanDerWaalsContact C-N 3.31Å; V109-K111 PolarHBondContact O-N 3.34Å; K111-M113 VanDerWaalsContact C-N 3.29Å; K111-M113 PolarHBondContact O-N 3.29Å; K111-S114 PolarHBondContact O-N 3.48Å; K111-D115 WeakPolarHBondContact O-CB 3.37Å; K111-D115 PolarHBondContact O-N 2.83Å
112E94.2Very high92.8Very high65 Ų6579.2 Ų79.230%0.30439%0.392SS..Hα-helixtrans-59.9-38.1177.3-73.3170.9-16400112.8R61 V108 V109 R116R61-E112 IonicContact CZ-OE1 3.31Å; R61-E112 IonicContact CZ-OE2 3.36Å; R61-E112 VanDerWaalsContact CZ-OE2 3.31Å; R61-E112 IonicContact NH1-OE1 3.04Å; R61-E112 PolarHBondContact NH1-OE1 3.43Å; R61-E112 IonicContact NH1-OE2 2.92Å; R61-E112 PolarHBondContact NH1-OE2 2.94Å; R61-E112 IonicContact NH2-OE1 2.71Å; R61-E112 IonicContact NH2-OE2 2.91Å; R61-E112 PolarHBondContact NH2-OE2 2.93Å; V108-E112 VanDerWaalsContact CG1-OE1 3.3Å; V108-E112 WeakPolarHBondContact CG1-OE1 3.44Å; V108-E112 WeakPolarHBondContact O-CG 3.41Å; V108-E112 PolarHBondContact O-N 3.45Å; V109-E112 PolarHBondContact O-N 3Å; E112-R116 WeakPolarHBondContact O-CB 3.33Å; E112-R116 PolarHBondContact O-N 3.18Å
113M94.2Very high92.5Very high97 Ų9783 Ų8348%0.47842%0.415SS..Hα-helixtrans-68.1-41.6175.7-72.5-179.869.600111.9V54 V109 V110 K111 R116 S117V54-M113 HydrophobicContact CG2-CE 4.42Å; V54-M113 HydrophobicContact CG2-SD 3.68Å; V109-M113 HydrophobicContact CG1-CG 4.46Å; V109-M113 HydrophobicContact CG1-SD 4.09Å; V109-M113 WeakPolarHBondContact O-CG 3.27Å; V109-M113 PolarHBondContact O-N 3.34Å; V110-M113 PolarHBondContact O-N 3.36Å; K111-M113 VanDerWaalsContact C-N 3.29Å; K111-M113 PolarHBondContact O-N 3.29Å; M113-R116 PolarHBondContact O-N 2.9Å; M113-S117 WeakPolarHBondContact O-CB 3.36Å; M113-S117 PolarHBondContact O-N 2.98Å
114S94.9Very high92.2Very high57 Ų5782.2 Ų82.240%0.39941%0.413SS..Hα-helixtrans-63.8-44.3174.8-173.70000111.4V110 K111 R116 S117 N118V110-S114 WeakPolarHBondContact O-CB 3.46Å; V110-S114 PolarHBondContact O-N 3.01Å; K111-S114 PolarHBondContact O-N 3.48Å; S114-R116 VanDerWaalsContact C-N 3.33Å; S114-R116 PolarHBondContact O-N 2.92Å; S114-S117 PolarHBondContact O-N 3.48Å; S114-N118 WeakPolarHBondContact O-CB 3.46Å; S114-N118 PolarHBondContact O-N 3.02Å; S114-N118 PolarHBondContact O-ND2 3.3Å
115D94.8Very high91.7Very high86 Ų8685.4 Ų85.446%0.4643%0.433SS..Hα-helixtrans-63.1-41.8179.4-69.2-17.9000110.6K111 N118 W119K111-D115 WeakPolarHBondContact O-CB 3.37Å; K111-D115 PolarHBondContact O-N 2.83Å; D115-N118 PolarHBondContact O-N 3.42Å; D115-W119 WeakPolarHBondContact O-CB 3.38Å; D115-W119 PolarHBondContact O-N 3.32Å
116R94.5Very high91.1Very high156 Ų15690.2 Ų90.259%0.58946%0.457SS*.Hα-helixtrans-63.9-46.7174-169.9-178.4-48.5176.66.9112.4E112 M113 S114 N118 W119 D120E112-R116 WeakPolarHBondContact O-CB 3.33Å; E112-R116 PolarHBondContact O-N 3.18Å; M113-R116 PolarHBondContact O-N 2.9Å; S114-R116 VanDerWaalsContact C-N 3.33Å; S114-R116 PolarHBondContact O-N 2.92Å; R116-N118 VanDerWaalsContact C-N 3.29Å; R116-N118 PolarHBondContact O-N 3.39Å; R116-W119 WeakPolarHBondContact O-CB 3.17Å; R116-W119 PolarHBondContact O-N 3.09Å; R116-W119 VanDerWaalsContact O-N 3.13Å; R116-D120 VanDerWaalsContact O-CG 3.27Å; R116-D120 PolarHBondContact O-N 2.85Å
117S94Very high90.1Very high58 Ų5895 Ų9541%0.40648%0.481SS..Hα-helixtrans-61.1-38.9177.2-175.10000111.9M113 S114 W119 N121M113-S117 WeakPolarHBondContact O-CB 3.36Å; M113-S117 PolarHBondContact O-N 2.98Å; S114-S117 PolarHBondContact O-N 3.48Å; S117-W119 VanDerWaalsContact C-N 3.34Å; S117-N121 WeakPolarHBondContact O-CB 3.48Å; S117-N121 PolarHBondContact O-N 2.79Å; S117-N121 VanDerWaalsContact O-N 3.11Å; S117-N121 PolarHBondContact O-ND2 3.13Å
118N93.8Very high88.8Confident101 Ų10199.2 Ų99.254%0.5449%0.492SS..Hα-helixtrans-67.3-36.5176.1-71.8-20.1000111.6S114 D115 R116 N121 F122S114-N118 WeakPolarHBondContact O-CB 3.46Å; S114-N118 PolarHBondContact O-N 3.02Å; S114-N118 PolarHBondContact O-ND2 3.3Å; D115-N118 PolarHBondContact O-N 3.42Å; R116-N118 VanDerWaalsContact C-N 3.29Å; R116-N118 PolarHBondContact O-N 3.39Å; N118-N121 CarbonylContact O-C 3.58Å; N118-F122 WeakPolarHBondContact O-CA 3.48Å; N118-F122 WeakPolarHBondContact O-CB 3.43Å; N118-F122 PolarHBondContact O-N 2.87Å
119W92.2Very high87.6Confident190 Ų190101.9 Ų101.972%0.7251%0.512SS*.Hα-helixtrans-69.4-44.2175.5-175.3-98.5000112.5D115 R116 S117 N121 F122D115-W119 WeakPolarHBondContact O-CB 3.38Å; D115-W119 PolarHBondContact O-N 3.32Å; R116-W119 WeakPolarHBondContact O-CB 3.17Å; R116-W119 PolarHBondContact O-N 3.09Å; R116-W119 VanDerWaalsContact O-N 3.13Å; S117-W119 VanDerWaalsContact C-N 3.34Å; W119-N121 VanDerWaalsContact C-N 3.26Å; W119-N121 PolarHBondContact O-N 3.37Å; W119-F122 WeakPolarHBondContact O-CB 3.43Å; W119-F122 PolarHBondContact O-N 3.11Å; W119-F122 VanDerWaalsContact O-N 3.09Å
120D93.4Very high86Confident117 Ų117113.8 Ų113.863%0.62657%0.567SS**Hα-helixtrans-66.8-30.2179.7-66.5-19.1000112.1R116R116-D120 VanDerWaalsContact O-CG 3.27Å; R116-D120 PolarHBondContact O-N 2.85Å
121N90.8Very high85.6Confident119 Ų119115.7 Ų115.764%0.63657%0.573SS**THydrogen-bonded Turntrans-97.610.8174.3-62.4-66.4000113.1S117 N118 W119 V123S117-N121 WeakPolarHBondContact O-CB 3.48Å; S117-N121 PolarHBondContact O-N 2.79Å; S117-N121 VanDerWaalsContact O-N 3.11Å; S117-N121 PolarHBondContact O-ND2 3.13Å; N118-N121 CarbonylContact O-C 3.58Å; W119-N121 VanDerWaalsContact C-N 3.26Å; W119-N121 PolarHBondContact O-N 3.37Å; N121-V123 PolarHBondContact O-N 3.18Å
122F89.5Confident85.2Confident126 Ų126114.5 Ų114.555%0.55357%0.572SS**  trans-69.3114.5178.6179.4-99.3000109.2N118 W119 N124N118-F122 WeakPolarHBondContact O-CA 3.48Å; N118-F122 WeakPolarHBondContact O-CB 3.43Å; N118-F122 PolarHBondContact O-N 2.87Å; W119-F122 WeakPolarHBondContact O-CB 3.43Å; W119-F122 PolarHBondContact O-N 3.11Å; W119-F122 VanDerWaalsContact O-N 3.09Å; F122-N124 HydrophobicContact CE1-CB 4.33Å
123V85.6Confident84.7Confident80 Ų80117.3 Ų117.349%0.48559%0.586SS.*  trans-94119173-171.60000108.2N121 P125 Y128N121-V123 PolarHBondContact O-N 3.18Å; V123-P125 WeakPolarHBondContact O-CD 3.48Å; V123-Y128 HydrophobicContact CG1-CD2 4.48Å; V123-Y128 HydrophobicContact CG1-CE2 3.46Å; V123-Y128 VanDerWaalsContact CG1-CE2 3.46Å
124N83.5Confident84.1Confident54 Ų54118.5 Ų118.529%0.28959%0.593SS.*  trans-63.7119.7178.9179.23000109.2F122 E126 I127F122-N124 HydrophobicContact CE1-CB 4.33Å; N124-E126 PolarHBondContact ND2-OE2 3.3Å; N124-E126 VanDerWaalsContact ND2-OE2 3.15Å; N124-E126 PolarHBondContact O-N 3.13Å; N124-E126 VanDerWaalsContact O-N 3.13Å; N124-E126 WeakPolarHBondContact OD1-CG 3.35Å; N124-E126 PolarHBondContact OD1-N 3.07Å; N124-I127 HydrophobicContact CB-CD1 3.79Å; N124-I127 HydrophobicContact CB-CG1 4.01Å; N124-I127 WeakPolarHBondContact O-CB 3.5Å; N124-I127 PolarHBondContact O-N 3.15Å; N124-I127 VanDerWaalsContact O-N 3.13Å
125P80.9Confident83.4Confident92 Ų92122.3 Ų122.360%0.59761%0.605SS**G310 helixtrans-58.8-24.4-179.822.4-33.8000113.9V123 I127 Y128V123-P125 WeakPolarHBondContact O-CD 3.48Å; P125-I127 PolarHBondContact O-N 3.13Å; P125-Y128 PolarHBondContact O-N 2.85Å
126E78.2Confident82.7Confident139 Ų139124.7 Ų124.765%0.6562%0.615SS**G310 helixtrans-67.2-21.9179-62.2173.4161.100113.4N124 Y128 S129N124-E126 PolarHBondContact ND2-OE2 3.3Å; N124-E126 VanDerWaalsContact ND2-OE2 3.15Å; N124-E126 PolarHBondContact O-N 3.13Å; N124-E126 VanDerWaalsContact O-N 3.13Å; N124-E126 WeakPolarHBondContact OD1-CG 3.35Å; N124-E126 PolarHBondContact OD1-N 3.07Å; E126-Y128 PolarHBondContact O-N 3.38Å; E126-S129 WeakPolarHBondContact CA-OG 3.45Å; E126-S129 PolarHBondContact O-N 3.32Å; E126-S129 PolarHBondContact O-OG 3.18Å
127I70.7Confident81.9Confident116 Ų116122.5 Ų122.560%0.59562%0.617SS**G310 helixtrans-67.9-16.6-179-60.9172.1000111.5N124 P125N124-I127 HydrophobicContact CB-CD1 3.79Å; N124-I127 HydrophobicContact CB-CG1 4.01Å; N124-I127 WeakPolarHBondContact O-CB 3.5Å; N124-I127 PolarHBondContact O-N 3.15Å; N124-I127 VanDerWaalsContact O-N 3.13Å; P125-I127 PolarHBondContact O-N 3.13Å
128Y66.7Low80.9Confident174 Ų174127.5 Ų127.568%0.68263%0.633SS**G310 helixtrans-110.611.8179.7-57.4-70.5000114.4V123 P125 E126V123-Y128 HydrophobicContact CG1-CD2 4.48Å; V123-Y128 HydrophobicContact CG1-CE2 3.46Å; V123-Y128 VanDerWaalsContact CG1-CE2 3.46Å; P125-Y128 PolarHBondContact O-N 2.85Å; E126-Y128 PolarHBondContact O-N 3.38Å
129S66.1Low79.8Confident96 Ų96129.7 Ų129.767%0.67164%0.64SS**  trans-96.921.1-179.847.40000115.1E126E126-S129 WeakPolarHBondContact CA-OG 3.45Å; E126-S129 PolarHBondContact O-N 3.32Å; E126-S129 PolarHBondContact O-OG 3.18Å
130E60.6Low78.7Confident253 Ų253124.2 Ų124.2100%1.18263%0.633SS**  trans-92.10166.8-63.9-175.1176.600111.4

Retrieved 130 of 130 residues in 131.4 ms (Link to these results)