A0A087YKG6_POEFO Loading...

Transmembrane protein 33

AlphaFold DB , UniProt , Accession A0A087YKG6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 248 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
1M38.5Very low42.6Very low252 Ų252137.9 Ų137.9100%1.24181%0.805SS**  01070-87.5166.1161.500107.1
2A36.5Very low44.1Very low103 Ų103138.3 Ų138.385%0.85179%0.794SS**  trans-87.3119178.800000108.4N4A2-N4 PolarHBondContact O-N 3.32Å
3D37Very low45.6Very low149 Ų149133.8 Ų133.880%0.79776%0.764SS**  trans-77103.7-179-147.72.9000108.7N5D3-N5 VanDerWaalsContact C-N 3.35Å; D3-N5 PolarHBondContact O-N 3.15Å; D3-N5 VanDerWaalsContact O-N 3.1Å
4N40.2Very low47.9Very low135 Ų135126.9 Ų126.972%0.72274%0.738SS**  trans-84.880.6-174.8-14621.6000107.6A2 Q6A2-N4 PolarHBondContact O-N 3.32Å; N4-Q6 PolarHBondContact O-N 2.99Å
5N38.1Very low50.1Low147 Ų147121.3 Ų121.379%0.78671%0.707SS**  trans-68.874.8171.9-91.9-29.8000110D3 A7D3-N5 VanDerWaalsContact C-N 3.35Å; D3-N5 PolarHBondContact O-N 3.15Å; D3-N5 VanDerWaalsContact O-N 3.1Å; N5-A7 VanDerWaalsContact C-N 3.31Å; N5-A7 PolarHBondContact O-N 3.4Å
6Q41.2Very low52.1Low160 Ų160119.9 Ų119.975%0.74870%0.7SS**  trans-64.796.9157.9-87.5176.4-28.900107.1N4 N8N4-Q6 PolarHBondContact O-N 2.99Å; Q6-N8 PolarHBondContact O-N 3.15Å
7A40.4Very low54.1Low96 Ų96119.5 Ų119.579%0.79369%0.69SS**  trans-56.5106.7164.500000107.5N5N5-A7 VanDerWaalsContact C-N 3.31Å; N5-A7 PolarHBondContact O-N 3.4Å
8N36.8Very low55.9Low147 Ų147115.1 Ų115.179%0.78666%0.661SS**PPolyproline II helixtrans-49.5131.8172.4-82.4-28.2000108.5Q6Q6-N8 PolarHBondContact O-N 3.15Å
9P51.3Low57.6Low105 Ų105111.1 Ų111.168%0.68264%0.638SS**PPolyproline II helixtrans-56138.9172.123-30.5000108.1
10P54.1Low59Low110 Ų110111.3 Ų111.371%0.71463%0.634SS**PPolyproline II helixtrans-53.3143.8-179.321.1-31.6000109.6Q12P10-Q12 PolarHBondContact O-N 3.24Å; P10-Q12 VanDerWaalsContact O-N 3.12Å
11P55Low60.4Low113 Ų113109.3 Ų109.373%0.73463%0.627SS**PPolyproline II helixtrans-52.2125.2-178.119.5-30.6000109.1L13P11-L13 PolarHBondContact O-N 3.17Å
12Q59.9Low62.8Low143 Ų143100.1 Ų100.167%0.66858%0.583SS**  trans-6688.3176.9-72-178.86.100108.1P10 G14P10-Q12 PolarHBondContact O-N 3.24Å; P10-Q12 VanDerWaalsContact O-N 3.12Å; Q12-G14 PolarHBondContact O-N 3.25Å
13L63.9Low65.4Low79 Ų79102.6 Ų102.641%0.41458%0.575SS.*  trans-59.5123.4168.5-66.1168.6000106.5P11 Q17P11-L13 PolarHBondContact O-N 3.17Å; L13-Q17 HydrophobicContact CB-CB 4.25Å; L13-Q17 HydrophobicContact CB-CG 4.28Å; L13-Q17 HydrophobicContact CD2-CG 3.76Å; L13-Q17 HydrophobicContact CG-CG 4.47Å
14G77.4Confident67.9Low38 Ų3898.4 Ų98.439%0.39255%0.552SS.*  trans-51.7153.4174.100000111Q12 V16 Q17 F18Q12-G14 PolarHBondContact O-N 3.25Å; G14-V16 PolarHBondContact O-N 3.15Å; G14-V16 VanDerWaalsContact O-N 3.07Å; G14-Q17 WeakPolarHBondContact O-CA 3.39Å; G14-Q17 WeakPolarHBondContact O-CB 3.17Å; G14-Q17 PolarHBondContact O-N 3.44Å; G14-F18 PolarHBondContact O-N 3.07Å
15P80.8Confident70.3Confident43 Ų4394.2 Ų94.228%0.27953%0.528SS..Hα-helixtrans-54.9-38.4-168.121.1-34.9000113.1Q17 F18 L19 M135P15-Q17 PolarHBondContact O-N 3.15Å; P15-F18 PolarHBondContact O-N 3.44Å; P15-L19 VanDerWaalsContact O-CG 3.26Å; P15-L19 WeakPolarHBondContact O-CG 3.31Å; P15-L19 PolarHBondContact O-N 3.41Å; P15-M135 HydrophobicContact CB-CG 3.78Å; P15-M135 HydrophobicContact CB-SD 4.41Å; P15-M135 HydrophobicContact CG-CG 3.86Å
16V83.3Confident72.9Confident99 Ų9988 Ų8860%0.650%0.495SS*.Hα-helixtrans-62.9-43.7176.8179.20000111.5G14 L19 M20G14-V16 PolarHBondContact O-N 3.15Å; G14-V16 VanDerWaalsContact O-N 3.07Å; V16-L19 PolarHBondContact O-N 2.93Å; V16-M20 HydrophobicContact CG1-CG 4.44Å; V16-M20 WeakPolarHBondContact O-CB 3.41Å; V16-M20 VanDerWaalsContact O-CG 3.24Å; V16-M20 WeakPolarHBondContact O-CG 3.34Å; V16-M20 PolarHBondContact O-N 3.25Å
17Q85.3Confident75.4Confident112 Ų11282.5 Ų82.552%0.52348%0.477SS..Hα-helixtrans-69.2-35.3179.2-169.865.116.200111.7L13 G14 P15 M20 S21L13-Q17 HydrophobicContact CB-CB 4.25Å; L13-Q17 HydrophobicContact CB-CG 4.28Å; L13-Q17 HydrophobicContact CD2-CG 3.76Å; L13-Q17 HydrophobicContact CG-CG 4.47Å; G14-Q17 WeakPolarHBondContact O-CA 3.39Å; G14-Q17 WeakPolarHBondContact O-CB 3.17Å; G14-Q17 PolarHBondContact O-N 3.44Å; P15-Q17 PolarHBondContact O-N 3.15Å; Q17-M20 PolarHBondContact O-N 3.36Å; Q17-S21 WeakPolarHBondContact O-CB 3.22Å; Q17-S21 PolarHBondContact O-N 2.97Å; Q17-S21 PolarHBondContact O-OG 3.2Å
18F86.4Confident78Confident40 Ų4078 Ų7818%0.17544%0.439CS..Hα-helixtrans-62.9-42.6172.6174.5-96.5000112.4G14 P15 S21 N22 Y127 K130 V131G14-F18 PolarHBondContact O-N 3.07Å; P15-F18 PolarHBondContact O-N 3.44Å; F18-S21 PolarHBondContact O-OG 3.3Å; F18-N22 PolarHBondContact O-N 3.17Å; F18-N22 PolarHBondContact O-ND2 3.47Å; F18-Y127 HydrophobicContact CE1-CE2 4.47Å; F18-K130 HydrophobicContact CE1-CB 4.39Å; F18-K130 HydrophobicContact CZ-CB 4.04Å; F18-V131 HydrophobicContact CD1-CG2 4.34Å; F18-V131 HydrophobicContact CE1-CG2 4.08Å
19L87.8Confident80.8Confident40 Ų4072.7 Ų72.721%0.20941%0.409CS..Hα-helixtrans-67.1-43.2176.2-66.4174.9000111.3P15 V16 S21 N22 K23 T26 W29 Y127 V131P15-L19 VanDerWaalsContact O-CG 3.26Å; P15-L19 WeakPolarHBondContact O-CG 3.31Å; P15-L19 PolarHBondContact O-N 3.41Å; V16-L19 PolarHBondContact O-N 2.93Å; L19-S21 VanDerWaalsContact C-N 3.29Å; L19-S21 PolarHBondContact O-N 3.22Å; L19-N22 CarbonylContact O-C 3.59Å; L19-N22 PolarHBondContact O-N 3.14Å; L19-N22 VanDerWaalsContact O-N 3.11Å; L19-K23 PolarHBondContact O-N 3.44Å; L19-T26 HydrophobicContact CB-CG2 4.24Å; L19-T26 HydrophobicContact CD2-CG2 3.87Å; L19-T26 WeakPolarHBondContact CD2-OG1 3.36Å; L19-T26 PolarHBondContact O-OG1 3.38Å; L19-W29 HydrophobicContact CD2-CZ3 4.33Å; L19-Y127 HydrophobicContact CD2-CE1 3.91Å; L19-V131 HydrophobicContact CD2-CG2 3.86Å
20M87.1Confident82.9Confident115 Ų11572.3 Ų72.357%0.56740%0.4SS*.Hα-helixtrans-66.5-28.9179.9-70.6-64.2165.600113.4V16 Q17 K23V16-M20 HydrophobicContact CG1-CG 4.44Å; V16-M20 WeakPolarHBondContact O-CB 3.41Å; V16-M20 VanDerWaalsContact O-CG 3.24Å; V16-M20 WeakPolarHBondContact O-CG 3.34Å; V16-M20 PolarHBondContact O-N 3.25Å; Q17-M20 PolarHBondContact O-N 3.36Å; M20-K23 WeakPolarHBondContact O-CE 3.36Å; M20-K23 WeakPolarHBondContact O-CG 3.49Å
21S87.5Confident84.9Confident69 Ų6967.7 Ų67.748%0.48337%0.37SS..Hα-helixtrans-76.9-23.6173.763.20000113Q17 F18 L19Q17-S21 WeakPolarHBondContact O-CB 3.22Å; Q17-S21 PolarHBondContact O-N 2.97Å; Q17-S21 PolarHBondContact O-OG 3.2Å; F18-S21 PolarHBondContact O-OG 3.3Å; L19-S21 VanDerWaalsContact C-N 3.29Å; L19-S21 PolarHBondContact O-N 3.22Å
22N88.8Confident86.9Confident59 Ų5963 Ų6332%0.31634%0.338SS..THydrogen-bonded Turntrans-114.542.1-176.1-68.7-82000113.1F18 L19 L24 E25 T26F18-N22 PolarHBondContact O-N 3.17Å; F18-N22 PolarHBondContact O-ND2 3.47Å; L19-N22 CarbonylContact O-C 3.59Å; L19-N22 PolarHBondContact O-N 3.14Å; L19-N22 VanDerWaalsContact O-N 3.11Å; N22-L24 VanDerWaalsContact C-N 3.29Å; N22-L24 PolarHBondContact O-N 3.47Å; N22-E25 HydrophobicContact CB-CB 4.35Å; N22-E25 PolarHBondContact O-N 2.99Å; N22-T26 PolarHBondContact O-N 3.27Å; N22-T26 PolarHBondContact O-OG1 3.45Å
23K90.4Very high88.6Confident156 Ų15659.4 Ų59.468%0.67832%0.323SS*.Hα-helixtrans-45.2-46.1-170.7-57.4-175.7-179.2178.80114.8L19 M20 A27L19-K23 PolarHBondContact O-N 3.44Å; M20-K23 WeakPolarHBondContact O-CE 3.36Å; M20-K23 WeakPolarHBondContact O-CG 3.49Å; K23-A27 WeakPolarHBondContact O-CB 3.09Å; K23-A27 PolarHBondContact O-N 3.45Å
24L90.4Very high90.2Very high60 Ų6060 Ų6031%0.31432%0.323SS..Hα-helixtrans-70.4-44.2-177.6-158.1172.4000111.5N22 T26 A27 M28 L69 Q73N22-L24 VanDerWaalsContact C-N 3.29Å; N22-L24 PolarHBondContact O-N 3.47Å; L24-T26 VanDerWaalsContact C-N 3.33Å; L24-T26 PolarHBondContact O-N 2.93Å; L24-A27 PolarHBondContact O-N 3.21Å; L24-M28 HydrophobicContact CD2-CE 3.83Å; L24-M28 HydrophobicContact CD2-CG 4Å; L24-M28 HydrophobicContact CD2-SD 4.05Å; L24-M28 PolarHBondContact O-N 3.44Å; L24-L69 HydrophobicContact CD2-CB 4.32Å; L24-Q73 HydrophobicContact CD1-CG 3.58Å; L24-Q73 VanDerWaalsContact CD2-CD 3.43Å; L24-Q73 HydrophobicContact CD2-CG 3.66Å; L24-Q73 VanDerWaalsContact CD2-NE2 3.29Å; L24-Q73 HydrophobicContact CG-CG 4.26Å
25E90.8Very high91.2Very high47 Ų4758.2 Ų58.222%0.2230%0.304CS..Hα-helixtrans-65.7-37.9176-66.5-69.9152.400111.5N22 M28 W29 R70 Q73 Y127N22-E25 HydrophobicContact CB-CB 4.35Å; N22-E25 PolarHBondContact O-N 2.99Å; E25-M28 HydrophobicContact CB-CE 4.43Å; E25-M28 HydrophobicContact CG-CE 4.2Å; E25-M28 PolarHBondContact O-N 3.15Å; E25-M28 VanDerWaalsContact OE1-CE 3.28Å; E25-M28 WeakPolarHBondContact OE1-CE 3.23Å; E25-M28 WeakPolarHBondContact OE2-CE 3.32Å; E25-W29 WeakPolarHBondContact O-CB 3.25Å; E25-W29 PolarHBondContact O-N 3.35Å; E25-R70 IonicContact OE1-NH1 2.94Å; E25-R70 PolarHBondContact OE1-NH1 3.49Å; E25-Q73 PolarHBondContact OE1-NE2 3.39Å; E25-Q73 PolarHBondContact OE1-OE1 2.92Å; E25-Y127 HydrophobicContact CB-CD2 4.31Å; E25-Y127 HydrophobicContact CB-CE2 3.56Å
26T92.5Very high92Very high18 Ų1857.4 Ų57.411%0.1130%0.298CS..Hα-helixtrans-62.2-44172.1-58.20000111.5L19 N22 L24 M28 W29 L30 Y127L19-T26 HydrophobicContact CB-CG2 4.24Å; L19-T26 HydrophobicContact CD2-CG2 3.87Å; L19-T26 WeakPolarHBondContact CD2-OG1 3.36Å; L19-T26 PolarHBondContact O-OG1 3.38Å; N22-T26 PolarHBondContact O-N 3.27Å; N22-T26 PolarHBondContact O-OG1 3.45Å; L24-T26 VanDerWaalsContact C-N 3.33Å; L24-T26 PolarHBondContact O-N 2.93Å; T26-M28 PolarHBondContact O-N 2.87Å; T26-W29 HydrophobicContact CG2-CE3 4.39Å; T26-W29 WeakPolarHBondContact O-CB 3.47Å; T26-W29 PolarHBondContact O-N 3.3Å; T26-L30 HydrophobicContact CG2-CD1 4.24Å; T26-L30 HydrophobicContact CG2-CG 4.47Å; T26-L30 WeakPolarHBondContact O-CG 3.37Å; T26-L30 PolarHBondContact O-N 3.37Å; T26-Y127 PolarHBondContact N-OH 3.42Å; T26-Y127 PolarHBondContact OG1-OH 3.24Å
27A93.8Very high92.6Very high44 Ų4458.1 Ų58.136%0.36429%0.291SS..Hα-helixtrans-61.4-44.7176.800000111.9K23 L24 W29 L30 S31K23-A27 WeakPolarHBondContact O-CB 3.09Å; K23-A27 PolarHBondContact O-N 3.45Å; L24-A27 PolarHBondContact O-N 3.21Å; A27-W29 VanDerWaalsContact C-N 3.33Å; A27-W29 PolarHBondContact O-N 3.01Å; A27-L30 PolarHBondContact O-N 2.99Å; A27-S31 WeakPolarHBondContact O-CB 3.44Å; A27-S31 PolarHBondContact O-N 2.97Å
28M94.6Very high93.1Very high0 Ų052.8 Ų52.80%027%0.266CS..Hα-helixtrans-63.5-38.3173.8-71.1-171.3-63.500112.3L24 E25 T26 S31 R32 T66 L69 R70L24-M28 HydrophobicContact CD2-CE 3.83Å; L24-M28 HydrophobicContact CD2-CG 4Å; L24-M28 HydrophobicContact CD2-SD 4.05Å; L24-M28 PolarHBondContact O-N 3.44Å; E25-M28 HydrophobicContact CB-CE 4.43Å; E25-M28 HydrophobicContact CG-CE 4.2Å; E25-M28 PolarHBondContact O-N 3.15Å; E25-M28 VanDerWaalsContact OE1-CE 3.28Å; E25-M28 WeakPolarHBondContact OE1-CE 3.23Å; E25-M28 WeakPolarHBondContact OE2-CE 3.32Å; T26-M28 PolarHBondContact O-N 2.87Å; M28-S31 PolarHBondContact O-N 3.42Å; M28-R32 WeakPolarHBondContact O-CB 3.24Å; M28-R32 WeakPolarHBondContact O-CD 3.33Å; M28-R32 WeakPolarHBondContact O-CG 3.28Å; M28-R32 PolarHBondContact O-N 3.15Å; M28-T66 HydrophobicContact CB-CG2 4.47Å; M28-L69 HydrophobicContact CG-CB 3.84Å; M28-L69 HydrophobicContact CG-CD1 4.05Å; M28-L69 HydrophobicContact SD-CB 4.23Å; M28-R70 HydrophobicContact SD-CB 3.97Å
29W95.4Very high93.5Very high37 Ų3750.9 Ų50.914%0.1426%0.258CS..Hα-helixtrans-63-48.2176.717266.9000111.9L19 E25 T26 A27 S31 R32 L33 Y127 T128L19-W29 HydrophobicContact CD2-CZ3 4.33Å; E25-W29 WeakPolarHBondContact O-CB 3.25Å; E25-W29 PolarHBondContact O-N 3.35Å; T26-W29 HydrophobicContact CG2-CE3 4.39Å; T26-W29 WeakPolarHBondContact O-CB 3.47Å; T26-W29 PolarHBondContact O-N 3.3Å; A27-W29 VanDerWaalsContact C-N 3.33Å; A27-W29 PolarHBondContact O-N 3.01Å; W29-S31 VanDerWaalsContact C-N 3.34Å; W29-S31 PolarHBondContact O-N 3.03Å; W29-R32 PolarHBondContact O-N 3.25Å; W29-L33 HydrophobicContact CD2-CD1 4.06Å; W29-L33 HydrophobicContact CH2-CD1 4.17Å; W29-L33 HydrophobicContact CZ2-CD1 3.66Å; W29-L33 WeakPolarHBondContact O-CG 3.46Å; W29-L33 PolarHBondContact O-N 3.34Å; W29-Y127 HydrophobicContact CB-CD1 3.45Å; W29-Y127 VanDerWaalsContact CB-CD1 3.45Å; W29-Y127 HydrophobicContact CB-CE1 3.83Å; W29-Y127 HydrophobicContact CB-CG 3.92Å; W29-Y127 AromaticContact CD1-CD1 3.52Å; W29-Y127 AromaticContact CD1-CG 3.99Å; W29-Y127 AromaticContact CD2-CD1 3.59Å; W29-Y127 HydrophobicContact CD2-CD1 3.59Å; W29-Y127 AromaticContact CD2-CE1 3.94Å; W29-Y127 HydrophobicContact CD2-CE1 3.94Å; W29-Y127 HydrophobicContact CE3-CD1 4.22Å; W29-Y127 HydrophobicContact CE3-CE1 4.1Å; W29-Y127 AromaticContact CG-CD1 3.22Å; W29-Y127 HydrophobicContact CG-CD1 3.22Å; W29-Y127 AromaticContact CG-CE1 3.85Å; W29-Y127 HydrophobicContact CG-CE1 3.85Å; W29-Y127 AromaticContact CG-CG 3.95Å; W29-Y127 HydrophobicContact CG-CG 3.95Å; W29-Y127 AromaticContact NE1-CD1 3.96Å; W29-T128 PolarHBondContact NE1-OG1 3.36Å
30L95.8Very high93.9Very high96 Ų9651.3 Ų51.350%0.50326%0.262SS..Hα-helixtrans-60.3-44.3175.3-69.5174.4000111.5T26 A27 R32 L33 F34T26-L30 HydrophobicContact CG2-CD1 4.24Å; T26-L30 HydrophobicContact CG2-CG 4.47Å; T26-L30 WeakPolarHBondContact O-CG 3.37Å; T26-L30 PolarHBondContact O-N 3.37Å; A27-L30 PolarHBondContact O-N 2.99Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 3.3Å; L30-L33 PolarHBondContact O-N 2.89Å; L30-F34 PolarHBondContact O-N 3.29Å
31S96.3Very high94.1Very high13 Ų1347.8 Ų47.89%0.09124%0.244CC..Hα-helixtrans-61-38.3176.3-169.10000112A27 M28 W29 F34 T35 A62 T66A27-S31 WeakPolarHBondContact O-CB 3.44Å; A27-S31 PolarHBondContact O-N 2.97Å; M28-S31 PolarHBondContact O-N 3.42Å; W29-S31 VanDerWaalsContact C-N 3.34Å; W29-S31 PolarHBondContact O-N 3.03Å; S31-F34 PolarHBondContact O-N 2.71Å; S31-T35 PolarHBondContact O-N 2.9Å; S31-T35 PolarHBondContact O-OG1 3.45Å; S31-A62 PolarHBondContact OG-O 2.91Å; S31-A62 VanDerWaalsContact OG-O 3.06Å; S31-T66 VanDerWaalsContact CB-OG1 3.3Å; S31-T66 WeakPolarHBondContact CB-OG1 3.45Å; S31-T66 PolarHBondContact OG-OG1 3.44Å
32R96.8Very high94.4Very high16 Ų1645.4 Ų45.46%0.0623%0.226CC..Hα-helixtrans-68.6-40.5175.9-73166.5-178.7137.68112.6M28 W29 L30 F34 T35 V36 T66 A124M28-R32 WeakPolarHBondContact O-CB 3.24Å; M28-R32 WeakPolarHBondContact O-CD 3.33Å; M28-R32 WeakPolarHBondContact O-CG 3.28Å; M28-R32 PolarHBondContact O-N 3.15Å; W29-R32 PolarHBondContact O-N 3.25Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 3.3Å; R32-F34 VanDerWaalsContact C-N 3.29Å; R32-F34 PolarHBondContact O-N 2.86Å; R32-T35 WeakPolarHBondContact O-CB 3.27Å; R32-T35 PolarHBondContact O-N 3.44Å; R32-V36 WeakPolarHBondContact O-CG2 3.45Å; R32-V36 PolarHBondContact O-N 3.27Å; R32-T66 HydrophobicContact CG-CG2 3.69Å; R32-A124 HydrophobicContact CB-CB 4.19Å
33L96.9Very high94.5Very high67 Ų6745.3 Ų45.335%0.35122%0.224SC..Hα-helixtrans-61.5-41.5173.8-70.6177.4000111W29 L30 V36 Y37 A124W29-L33 HydrophobicContact CD2-CD1 4.06Å; W29-L33 HydrophobicContact CH2-CD1 4.17Å; W29-L33 HydrophobicContact CZ2-CD1 3.66Å; W29-L33 WeakPolarHBondContact O-CG 3.46Å; W29-L33 PolarHBondContact O-N 3.34Å; L30-L33 PolarHBondContact O-N 2.89Å; L33-V36 PolarHBondContact O-N 2.9Å; L33-Y37 PolarHBondContact O-N 3.22Å; L33-A124 HydrophobicContact CD2-CB 3.99Å
34F97.4Very high94.5Very high91 Ų9142.6 Ų42.640%0.39922%0.217SC..Hα-helixtrans-64.3-41174.3-178.3-110000112.3L30 S31 R32 V36 Y37 C38 R58 A62L30-F34 PolarHBondContact O-N 3.29Å; S31-F34 PolarHBondContact O-N 2.71Å; R32-F34 VanDerWaalsContact C-N 3.29Å; R32-F34 PolarHBondContact O-N 2.86Å; F34-V36 PolarHBondContact O-N 3.34Å; F34-Y37 HydrophobicContact CD2-CD1 4.37Å; F34-Y37 HydrophobicContact CE2-CD1 4.42Å; F34-Y37 PolarHBondContact O-N 3.04Å; F34-C38 WeakPolarHBondContact CZ-SG 3.4Å; F34-C38 PolarHBondContact O-N 3.12Å; F34-C38 PolarHBondContact O-SG 3.39Å; F34-R58 HydrophobicContact CE1-CB 4.43Å; F34-R58 HydrophobicContact CZ-CB 4.43Å; F34-A62 HydrophobicContact CD1-CB 3.61Å; F34-A62 HydrophobicContact CE1-CB 4.06Å
35T97.4Very high94.1Very high0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-58.6-46.7171.8-56.70000111.4S31 R32 Y37 C38 S39 A62 N63 V116 S120S31-T35 PolarHBondContact O-N 2.9Å; S31-T35 PolarHBondContact O-OG1 3.45Å; R32-T35 WeakPolarHBondContact O-CB 3.27Å; R32-T35 PolarHBondContact O-N 3.44Å; T35-Y37 PolarHBondContact O-N 3.1Å; T35-C38 PolarHBondContact O-N 3.32Å; T35-S39 WeakPolarHBondContact O-CB 3.35Å; T35-S39 PolarHBondContact O-N 2.9Å; T35-S39 PolarHBondContact O-OG 3.27Å; T35-A62 WeakPolarHBondContact OG1-CB 3.33Å; T35-N63 HydrophobicContact CG2-CB 4.28Å; T35-N63 PolarHBondContact OG1-N 2.88Å; T35-V116 HydrophobicContact CG2-CG1 3.44Å; T35-V116 VanDerWaalsContact CG2-CG1 3.44Å; T35-S120 VanDerWaalsContact CG2-OG 3.3Å; T35-S120 WeakPolarHBondContact CG2-OG 3.44Å
36V97.1Very high93.8Very high26 Ų2647.3 Ų47.316%0.15825%0.246CC..Hα-helixtrans-58.2-48.4177.5165.90000110.7R32 L33 F34 S39 V40 F117 L121R32-V36 WeakPolarHBondContact O-CG2 3.45Å; R32-V36 PolarHBondContact O-N 3.27Å; L33-V36 PolarHBondContact O-N 2.9Å; F34-V36 PolarHBondContact O-N 3.34Å; V36-S39 PolarHBondContact O-N 2.64Å; V36-V40 WeakPolarHBondContact O-CG2 3.43Å; V36-V40 PolarHBondContact O-N 3.46Å; V36-F117 HydrophobicContact CG1-CD2 4.45Å; V36-F117 HydrophobicContact CG1-CE2 3.96Å; V36-F117 HydrophobicContact CG2-CD2 4.45Å; V36-L121 HydrophobicContact CG2-CB 4.15Å; V36-L121 HydrophobicContact CG2-CD1 4.48Å
37Y96.1Very high93.2Very high115 Ų11552 Ų5245%0.45127%0.27SS..Hα-helixtrans-58-50.8177.1168.5-105.2000112.2L33 F34 T35 S39 V40 M41 F55L33-Y37 PolarHBondContact O-N 3.22Å; F34-Y37 HydrophobicContact CD2-CD1 4.37Å; F34-Y37 HydrophobicContact CE2-CD1 4.42Å; F34-Y37 PolarHBondContact O-N 3.04Å; T35-Y37 PolarHBondContact O-N 3.1Å; Y37-S39 VanDerWaalsContact C-N 3.34Å; Y37-S39 PolarHBondContact O-N 2.97Å; Y37-V40 PolarHBondContact O-N 3.06Å; Y37-M41 HydrophobicContact CD2-CG 4.2Å; Y37-M41 HydrophobicContact CE1-CG 4.27Å; Y37-M41 HydrophobicContact CE2-CE 4.12Å; Y37-M41 HydrophobicContact CE2-CG 3.74Å; Y37-M41 HydrophobicContact CE2-SD 4.12Å; Y37-M41 WeakPolarHBondContact O-CG 3.42Å; Y37-M41 PolarHBondContact O-N 3.43Å; Y37-F55 AromaticContact CE1-CE1 3.93Å; Y37-F55 HydrophobicContact CE1-CE1 3.93Å
38C95.7Very high92.8Very high0 Ų051 Ų510%026%0.264CS..Hα-helixtrans-62.5-41.6179.8-66.40000112F34 T35 V40 M41 F42 F55 R58 A59F34-C38 WeakPolarHBondContact CZ-SG 3.4Å; F34-C38 PolarHBondContact O-N 3.12Å; F34-C38 PolarHBondContact O-SG 3.39Å; T35-C38 PolarHBondContact O-N 3.32Å; C38-V40 VanDerWaalsContact C-N 3.34Å; C38-V40 PolarHBondContact O-N 3.4Å; C38-M41 PolarHBondContact O-N 2.94Å; C38-F42 PolarHBondContact O-N 3.13Å; C38-F55 HydrophobicContact CB-CD1 4.26Å; C38-R58 HydrophobicContact CB-CB 4.39Å; C38-A59 HydrophobicContact CB-CB 3.71Å
39S95.7Very high92.1Very high0 Ų055.9 Ų55.90%030%0.296CS..Hα-helixtrans-61-41.4176.9-66.60000112.2T35 V36 Y37 F42 I43 I113T35-S39 WeakPolarHBondContact O-CB 3.35Å; T35-S39 PolarHBondContact O-N 2.9Å; T35-S39 PolarHBondContact O-OG 3.27Å; V36-S39 PolarHBondContact O-N 2.64Å; Y37-S39 VanDerWaalsContact C-N 3.34Å; Y37-S39 PolarHBondContact O-N 2.97Å; S39-F42 PolarHBondContact O-N 3.46Å; S39-I43 VanDerWaalsContact O-CG1 3.26Å; S39-I43 WeakPolarHBondContact O-CG1 3.25Å; S39-I43 PolarHBondContact O-N 2.97Å; S39-I113 WeakPolarHBondContact OG-CG2 3.38Å
40V94.7Very high91.6Very high49 Ų4962.1 Ų62.130%0.29733%0.326SS..Hα-helixtrans-65.3-44.9176.4173.30000111V36 Y37 C38 F42 I43 L44 F117V36-V40 WeakPolarHBondContact O-CG2 3.43Å; V36-V40 PolarHBondContact O-N 3.46Å; Y37-V40 PolarHBondContact O-N 3.06Å; C38-V40 VanDerWaalsContact C-N 3.34Å; C38-V40 PolarHBondContact O-N 3.4Å; V40-F42 PolarHBondContact O-N 3.35Å; V40-I43 PolarHBondContact O-N 3.04Å; V40-L44 HydrophobicContact CG1-CD1 4.35Å; V40-L44 PolarHBondContact O-N 3.13Å; V40-F117 HydrophobicContact CG2-CE2 3.89Å
41M92.9Very high91.1Very high40 Ų4058.7 Ų58.720%0.19731%0.312CS..Hα-helixtrans-64.3-27177.9-67.4-6411300113.2Y37 C38 F55Y37-M41 HydrophobicContact CD2-CG 4.2Å; Y37-M41 HydrophobicContact CE1-CG 4.27Å; Y37-M41 HydrophobicContact CE2-CE 4.12Å; Y37-M41 HydrophobicContact CE2-CG 3.74Å; Y37-M41 HydrophobicContact CE2-SD 4.12Å; Y37-M41 WeakPolarHBondContact O-CG 3.42Å; Y37-M41 PolarHBondContact O-N 3.43Å; C38-M41 PolarHBondContact O-N 2.94Å; M41-F55 HydrophobicContact CB-CB 4.16Å; M41-F55 HydrophobicContact CB-CD1 3.8Å; M41-F55 HydrophobicContact CB-CD2 3.7Å; M41-F55 HydrophobicContact CB-CE1 4.06Å; M41-F55 HydrophobicContact CB-CE2 4Å; M41-F55 HydrophobicContact CB-CG 3.61Å; M41-F55 HydrophobicContact CB-CZ 4.16Å; M41-F55 HydrophobicContact CG-CD1 4.31Å; M41-F55 HydrophobicContact CG-CE1 4.14Å; M41-F55 HydrophobicContact CG-CE2 4.49Å; M41-F55 HydrophobicContact CG-CZ 4.24Å
42F92.9Very high90.7Very high20 Ų2058.4 Ų58.49%0.08831%0.31CS..Hα-helixtrans-78.1-45.1172.8167.8-110.5000112.5C38 S39 V40 L44 A52 F55 Y56 P108 T110 I113C38-F42 PolarHBondContact O-N 3.13Å; S39-F42 PolarHBondContact O-N 3.46Å; V40-F42 PolarHBondContact O-N 3.35Å; F42-L44 VanDerWaalsContact C-N 3.33Å; F42-A52 HydrophobicContact CD2-CB 4.07Å; F42-A52 VanDerWaalsContact CD2-O 3.25Å; F42-A52 WeakPolarHBondContact CD2-O 3.28Å; F42-F55 HydrophobicContact CB-CB 4.11Å; F42-Y56 HydrophobicContact CD1-CD2 4.18Å; F42-Y56 HydrophobicContact CD2-CD2 4.41Å; F42-Y56 AromaticContact CE1-CD2 3.7Å; F42-Y56 HydrophobicContact CE1-CD2 3.7Å; F42-Y56 HydrophobicContact CE1-CE2 4.4Å; F42-Y56 AromaticContact CE2-CD2 3.98Å; F42-Y56 HydrophobicContact CE2-CD2 3.98Å; F42-Y56 HydrophobicContact CE2-CG 4.25Å; F42-Y56 HydrophobicContact CG-CD2 4.47Å; F42-Y56 AromaticContact CZ-CD2 3.59Å; F42-Y56 HydrophobicContact CZ-CD2 3.59Å; F42-Y56 HydrophobicContact CZ-CE2 4.33Å; F42-Y56 HydrophobicContact CZ-CG 4.3Å; F42-P108 HydrophobicContact CE2-CB 4.05Å; F42-P108 HydrophobicContact CZ-CB 4.2Å; F42-T110 HydrophobicContact CE1-CG2 4.33Å; F42-I113 HydrophobicContact CD1-CB 4.09Å; F42-I113 HydrophobicContact CD1-CG1 3.59Å; F42-I113 HydrophobicContact CD1-CG2 4.19Å; F42-I113 HydrophobicContact CE1-CB 4.07Å; F42-I113 HydrophobicContact CE1-CG1 3.5Å
43I91.4Very high90.2Very high56 Ų5659.3 Ų59.329%0.28732%0.321SS..Hα-helixtrans-66.8-37.2-179.5-68.2166.2000111.2S39 V40 P45 I113S39-I43 VanDerWaalsContact O-CG1 3.26Å; S39-I43 WeakPolarHBondContact O-CG1 3.25Å; S39-I43 PolarHBondContact O-N 2.97Å; V40-I43 PolarHBondContact O-N 3.04Å; I43-P45 VanDerWaalsContact O-CD 3.28Å; I43-P45 WeakPolarHBondContact O-CD 3.11Å; I43-I113 HydrophobicContact CD1-CG2 4.25Å; I43-I113 HydrophobicContact CG1-CG2 4.49Å
44L90.6Very high90Very high99 Ų9960.2 Ų60.252%0.51833%0.326SS..SBendtrans-112.286.7177.3-59.9178.2000108.8V40 F42 I46V40-L44 HydrophobicContact CG1-CD1 4.35Å; V40-L44 PolarHBondContact O-N 3.13Å; F42-L44 VanDerWaalsContact C-N 3.33Å; L44-I46 PolarHBondContact O-N 3.05Å
45P81Confident89.8Confident69 Ų6956.9 Ų56.945%0.44831%0.311SS..  trans-7761.5-172.434-39000112.3I43 L47 G48 A52I43-P45 VanDerWaalsContact O-CD 3.28Å; I43-P45 WeakPolarHBondContact O-CD 3.11Å; P45-L47 PolarHBondContact O-N 3.46Å; P45-G48 PolarHBondContact O-N 3.2Å; P45-A52 HydrophobicContact CB-CB 3.77Å
46I83.9Confident89.7Confident138 Ų13856.9 Ų56.971%0.70831%0.312SS*.THydrogen-bonded Turntrans-59.5-31.2178.9-58167.6000110.7L44L44-I46 PolarHBondContact O-N 3.05Å
47L81.6Confident89.6Confident115 Ų11559.8 Ų59.860%0.60232%0.323SS*.THydrogen-bonded Turntrans-91.66.7-179.1-60.4176.8000113.7P45 A51 F55P45-L47 PolarHBondContact O-N 3.46Å; L47-A51 HydrophobicContact CB-CB 3.77Å; L47-A51 WeakPolarHBondContact O-CB 3.25Å; L47-F55 HydrophobicContact CD1-CE2 3.95Å; L47-F55 HydrophobicContact CD1-CZ 4.28Å
48G84.3Confident89.5Confident23 Ų2360.6 Ų60.624%0.23733%0.326CS..  trans91.9166.5179.400000115.3P45 H50 A51 A52P45-G48 PolarHBondContact O-N 3.2Å; G48-H50 PolarHBondContact O-N 3.43Å; G48-A51 PolarHBondContact O-N 3.13Å; G48-A52 PolarHBondContact O-N 3.06Å; G48-A52 VanDerWaalsContact O-N 3.09Å
49P81.2Confident89.6Confident104 Ų10460.6 Ų60.668%0.67533%0.326SS*.Hα-helixtrans-65.3-37.3-170.2-23.734.6000114.8A52 A53P49-A52 WeakPolarHBondContact O-CB 3.36Å; P49-A52 PolarHBondContact O-N 3.09Å; P49-A53 PolarHBondContact O-N 2.78Å; P49-A53 VanDerWaalsContact O-N 3.13Å
50H82.9Confident89.6Confident167 Ų16760.6 Ų60.677%0.77333%0.326SS*.Hα-helixtrans-66.9-40.1178.7-64.8-56.5000112.1G48 A52 A53 N54G48-H50 PolarHBondContact O-N 3.43Å; H50-A52 VanDerWaalsContact C-N 3.33Å; H50-A53 PolarHBondContact O-N 3.12Å; H50-N54 PolarHBondContact O-N 3.11Å; H50-N54 PolarHBondContact O-ND2 3.06Å
51A85.7Confident89.7Confident25 Ų2562.8 Ų62.821%0.20734%0.335CS..Hα-helixtrans-65.1-40.1174.300000111.1L47 G48 A53 N54 F55L47-A51 HydrophobicContact CB-CB 3.77Å; L47-A51 WeakPolarHBondContact O-CB 3.25Å; G48-A51 PolarHBondContact O-N 3.13Å; A51-A53 VanDerWaalsContact C-N 3.34Å; A51-A53 PolarHBondContact O-N 2.9Å; A51-N54 WeakPolarHBondContact O-CB 3.33Å; A51-N54 PolarHBondContact O-N 3.36Å; A51-N54 VanDerWaalsContact O-N 3.12Å; A51-F55 HydrophobicContact CB-CE2 4.47Å; A51-F55 WeakPolarHBondContact O-CD2 3.47Å; A51-F55 PolarHBondContact O-N 3.18Å; A51-F55 VanDerWaalsContact O-N 3.1Å
52A87.9Confident89.9Confident7 Ų761.2 Ų61.26%0.05833%0.329CS..Hα-helixtrans-58.5-43177.400000112.2F42 P45 G48 P49 H50 N54 F55 Y56F42-A52 HydrophobicContact CD2-CB 4.07Å; F42-A52 VanDerWaalsContact CD2-O 3.25Å; F42-A52 WeakPolarHBondContact CD2-O 3.28Å; P45-A52 HydrophobicContact CB-CB 3.77Å; G48-A52 PolarHBondContact O-N 3.06Å; G48-A52 VanDerWaalsContact O-N 3.09Å; P49-A52 WeakPolarHBondContact O-CB 3.36Å; P49-A52 PolarHBondContact O-N 3.09Å; H50-A52 VanDerWaalsContact C-N 3.33Å; A52-N54 VanDerWaalsContact C-N 3.28Å; A52-N54 PolarHBondContact O-N 3.04Å; A52-F55 PolarHBondContact O-N 3.16Å; A52-Y56 PolarHBondContact O-N 3.22Å
53A87.9Confident90.1Very high34 Ų3460.6 Ų60.628%0.28133%0.326SS..Hα-helixtrans-59.6-36.5176.100000112.9P49 H50 A51 Y56 Q57 P108P49-A53 PolarHBondContact O-N 2.78Å; P49-A53 VanDerWaalsContact O-N 3.13Å; H50-A53 PolarHBondContact O-N 3.12Å; A51-A53 VanDerWaalsContact C-N 3.34Å; A51-A53 PolarHBondContact O-N 2.9Å; A53-Y56 WeakPolarHBondContact O-CB 3.5Å; A53-Y56 PolarHBondContact O-N 3.13Å; A53-Q57 PolarHBondContact O-N 3.48Å; A53-P108 HydrophobicContact CB-CG 4.29Å
54N91.7Very high90.4Very high87 Ų8758.4 Ų58.447%0.46532%0.316SS..Hα-helixtrans-67-39.7174-67.4-36.4000111.8H50 A51 A52 Y56 Q57 R58H50-N54 PolarHBondContact O-N 3.11Å; H50-N54 PolarHBondContact O-ND2 3.06Å; A51-N54 WeakPolarHBondContact O-CB 3.33Å; A51-N54 PolarHBondContact O-N 3.36Å; A51-N54 VanDerWaalsContact O-N 3.12Å; A52-N54 VanDerWaalsContact C-N 3.28Å; A52-N54 PolarHBondContact O-N 3.04Å; N54-Y56 VanDerWaalsContact C-N 3.33Å; N54-Q57 PolarHBondContact O-N 2.83Å; N54-R58 WeakPolarHBondContact O-CB 3.36Å; N54-R58 VanDerWaalsContact O-CG 3.26Å; N54-R58 WeakPolarHBondContact O-CG 3.28Å; N54-R58 PolarHBondContact O-N 2.9Å
55F94.1Very high90.6Very high20 Ų2058.2 Ų58.29%0.08832%0.315CS..Hα-helixtrans-67.5-32.8176-74.5-68.4000112.8Y37 C38 M41 F42 L47 A51 A52 R58 A59Y37-F55 AromaticContact CE1-CE1 3.93Å; Y37-F55 HydrophobicContact CE1-CE1 3.93Å; C38-F55 HydrophobicContact CB-CD1 4.26Å; M41-F55 HydrophobicContact CB-CB 4.16Å; M41-F55 HydrophobicContact CB-CD1 3.8Å; M41-F55 HydrophobicContact CB-CD2 3.7Å; M41-F55 HydrophobicContact CB-CE1 4.06Å; M41-F55 HydrophobicContact CB-CE2 4Å; M41-F55 HydrophobicContact CB-CG 3.61Å; M41-F55 HydrophobicContact CB-CZ 4.16Å; M41-F55 HydrophobicContact CG-CD1 4.31Å; M41-F55 HydrophobicContact CG-CE1 4.14Å; M41-F55 HydrophobicContact CG-CE2 4.49Å; M41-F55 HydrophobicContact CG-CZ 4.24Å; F42-F55 HydrophobicContact CB-CB 4.11Å; L47-F55 HydrophobicContact CD1-CE2 3.95Å; L47-F55 HydrophobicContact CD1-CZ 4.28Å; A51-F55 HydrophobicContact CB-CE2 4.47Å; A51-F55 WeakPolarHBondContact O-CD2 3.47Å; A51-F55 PolarHBondContact O-N 3.18Å; A51-F55 VanDerWaalsContact O-N 3.1Å; A52-F55 PolarHBondContact O-N 3.16Å; F55-R58 PolarHBondContact O-N 3.3Å; F55-A59 WeakPolarHBondContact O-CB 3.36Å; F55-A59 PolarHBondContact O-N 3.06Å
56Y94.4Very high91.4Very high1 Ų155.3 Ų55.30%0.00430%0.296CS..Hα-helixtrans-56.4-54.1171176.1-98.5000111.4F42 A52 A53 N54 R58 A59 L60 P108 S112 I113F42-Y56 HydrophobicContact CD1-CD2 4.18Å; F42-Y56 HydrophobicContact CD2-CD2 4.41Å; F42-Y56 AromaticContact CE1-CD2 3.7Å; F42-Y56 HydrophobicContact CE1-CD2 3.7Å; F42-Y56 HydrophobicContact CE1-CE2 4.4Å; F42-Y56 AromaticContact CE2-CD2 3.98Å; F42-Y56 HydrophobicContact CE2-CD2 3.98Å; F42-Y56 HydrophobicContact CE2-CG 4.25Å; F42-Y56 HydrophobicContact CG-CD2 4.47Å; F42-Y56 AromaticContact CZ-CD2 3.59Å; F42-Y56 HydrophobicContact CZ-CD2 3.59Å; F42-Y56 HydrophobicContact CZ-CE2 4.33Å; F42-Y56 HydrophobicContact CZ-CG 4.3Å; A52-Y56 PolarHBondContact O-N 3.22Å; A53-Y56 WeakPolarHBondContact O-CB 3.5Å; A53-Y56 PolarHBondContact O-N 3.13Å; N54-Y56 VanDerWaalsContact C-N 3.33Å; Y56-R58 PolarHBondContact O-N 3.47Å; Y56-A59 PolarHBondContact O-N 3.23Å; Y56-L60 HydrophobicContact CD1-CD1 4.07Å; Y56-L60 HydrophobicContact CE1-CD1 3.44Å; Y56-L60 VanDerWaalsContact CE1-CD1 3.44Å; Y56-L60 HydrophobicContact CE1-CG 4.48Å; Y56-L60 HydrophobicContact CE2-CD1 4.19Å; Y56-L60 VanDerWaalsContact CZ-CD1 3.5Å; Y56-L60 WeakPolarHBondContact O-CG 3.44Å; Y56-L60 PolarHBondContact O-N 3.48Å; Y56-L60 VanDerWaalsContact O-N 3.08Å; Y56-P108 HydrophobicContact CD1-CB 4.13Å; Y56-P108 HydrophobicContact CD1-CG 4.32Å; Y56-P108 HydrophobicContact CD2-CB 4.25Å; Y56-P108 HydrophobicContact CE1-CB 4.39Å; Y56-P108 HydrophobicContact CG-CB 4.06Å; Y56-S112 WeakPolarHBondContact CE2-OG 3.28Å; Y56-S112 PolarHBondContact OH-OG 3.37Å; Y56-I113 HydrophobicContact CD2-CD1 3.52Å; Y56-I113 HydrophobicContact CD2-CG1 3.43Å; Y56-I113 VanDerWaalsContact CD2-CG1 3.43Å; Y56-I113 HydrophobicContact CE2-CD1 3.63Å; Y56-I113 HydrophobicContact CE2-CG1 3.56Å; Y56-I113 HydrophobicContact CG-CD1 4.44Å
57Q94.3Very high91.9Very high87 Ų8749 Ų4941%0.40727%0.265SS..Hα-helixtrans-62.7-42.6179.6-69.4-177.2-22.100111.8A53 N54 A59 L60 L61 V104A53-Q57 PolarHBondContact O-N 3.48Å; N54-Q57 PolarHBondContact O-N 2.83Å; Q57-A59 PolarHBondContact O-N 3.4Å; Q57-L60 PolarHBondContact O-N 3.12Å; Q57-L61 WeakPolarHBondContact O-CB 3.48Å; Q57-L61 WeakPolarHBondContact O-CG 3.48Å; Q57-L61 PolarHBondContact O-N 3.15Å; Q57-V104 HydrophobicContact CB-CG2 4.3Å; Q57-V104 HydrophobicContact CG-CG2 4.32Å
58R95.6Very high92.5Very high132 Ų13245.5 Ų45.550%0.49825%0.252SS..Hα-helixtrans-61.6-41.8177.2-72.2172.2179.2-163.9-0.7112.4F34 C38 N54 F55 Y56 L61 A62F34-R58 HydrophobicContact CE1-CB 4.43Å; F34-R58 HydrophobicContact CZ-CB 4.43Å; C38-R58 HydrophobicContact CB-CB 4.39Å; N54-R58 WeakPolarHBondContact O-CB 3.36Å; N54-R58 VanDerWaalsContact O-CG 3.26Å; N54-R58 WeakPolarHBondContact O-CG 3.28Å; N54-R58 PolarHBondContact O-N 2.9Å; F55-R58 PolarHBondContact O-N 3.3Å; Y56-R58 PolarHBondContact O-N 3.47Å; R58-L61 PolarHBondContact O-N 3.08Å; R58-A62 WeakPolarHBondContact O-CB 3.33Å; R58-A62 PolarHBondContact O-N 2.76Å
59A96.8Very high92.9Very high0 Ų046.8 Ų46.80%025%0.253CS..Hα-helixtrans-61.7-44.6175.900000111.3C38 F55 Y56 Q57 N63 I113C38-A59 HydrophobicContact CB-CB 3.71Å; F55-A59 WeakPolarHBondContact O-CB 3.36Å; F55-A59 PolarHBondContact O-N 3.06Å; Y56-A59 PolarHBondContact O-N 3.23Å; Q57-A59 PolarHBondContact O-N 3.4Å; A59-N63 WeakPolarHBondContact O-CB 3.46Å; A59-N63 PolarHBondContact O-N 2.88Å; A59-I113 HydrophobicContact CB-CD1 4.22Å
60L96.6Very high93.4Very high0 Ų044.6 Ų44.60%023%0.231CC..Hα-helixtrans-66.2-43178.2-68.4-179.4000112.5Y56 Q57 N63 A64 S100 L103 V104 I113 V116Y56-L60 HydrophobicContact CD1-CD1 4.07Å; Y56-L60 HydrophobicContact CE1-CD1 3.44Å; Y56-L60 VanDerWaalsContact CE1-CD1 3.44Å; Y56-L60 HydrophobicContact CE1-CG 4.48Å; Y56-L60 HydrophobicContact CE2-CD1 4.19Å; Y56-L60 VanDerWaalsContact CZ-CD1 3.5Å; Y56-L60 WeakPolarHBondContact O-CG 3.44Å; Y56-L60 PolarHBondContact O-N 3.48Å; Y56-L60 VanDerWaalsContact O-N 3.08Å; Q57-L60 PolarHBondContact O-N 3.12Å; L60-N63 PolarHBondContact O-N 2.87Å; L60-A64 WeakPolarHBondContact O-CB 3.47Å; L60-A64 PolarHBondContact O-N 3.3Å; L60-S100 VanDerWaalsContact O-CB 3.24Å; L60-S100 WeakPolarHBondContact O-CB 3.14Å; L60-S100 PolarHBondContact O-OG 3.36Å; L60-L103 HydrophobicContact CD1-CB 3.64Å; L60-V104 HydrophobicContact CB-CB 4.44Å; L60-V104 HydrophobicContact CD1-CB 4.32Å; L60-I113 HydrophobicContact CD2-CD1 3.92Å; L60-I113 HydrophobicContact CG-CD1 4.07Å; L60-V116 HydrophobicContact CD2-CG2 4.03Å
61L96.8Very high93.8Very high95 Ų9537.7 Ų37.750%0.49720%0.2SC..Hα-helixtrans-66.5-40.4177.3-70.8173.5000112.1Q57 R58 N63 A64 L65 V104Q57-L61 WeakPolarHBondContact O-CB 3.48Å; Q57-L61 WeakPolarHBondContact O-CG 3.48Å; Q57-L61 PolarHBondContact O-N 3.15Å; R58-L61 PolarHBondContact O-N 3.08Å; L61-N63 VanDerWaalsContact C-N 3.32Å; L61-N63 PolarHBondContact O-N 3.1Å; L61-A64 WeakPolarHBondContact O-CB 3.29Å; L61-A64 PolarHBondContact O-N 3.37Å; L61-L65 WeakPolarHBondContact O-CB 3.48Å; L61-L65 PolarHBondContact O-N 2.89Å; L61-V104 HydrophobicContact CD1-CG2 4.49Å; L61-V104 HydrophobicContact CD2-CG2 4.04Å; L61-V104 HydrophobicContact CG-CG2 3.99Å
62A97.1Very high94Very high7 Ų743.3 Ų43.36%0.05822%0.222CC..Hα-helixtrans-64.1-37.7174.800000112.1S31 F34 T35 R58 L65 T66S31-A62 PolarHBondContact OG-O 2.91Å; S31-A62 VanDerWaalsContact OG-O 3.06Å; F34-A62 HydrophobicContact CD1-CB 3.61Å; F34-A62 HydrophobicContact CE1-CB 4.06Å; T35-A62 WeakPolarHBondContact OG1-CB 3.33Å; R58-A62 WeakPolarHBondContact O-CB 3.33Å; R58-A62 PolarHBondContact O-N 2.76Å; A62-L65 PolarHBondContact O-N 3.45Å; A62-T66 PolarHBondContact O-N 3.46Å; A62-T66 PolarHBondContact O-OG1 3.33Å
63N96.9Very high94.1Very high7 Ų746 Ų464%0.03723%0.233CC..Hα-helixtrans-67.8-40.4171.9-17571.5000112.8T35 A59 L60 L61 L65 T66 S67 Y96 S100 V116T35-N63 HydrophobicContact CG2-CB 4.28Å; T35-N63 PolarHBondContact OG1-N 2.88Å; A59-N63 WeakPolarHBondContact O-CB 3.46Å; A59-N63 PolarHBondContact O-N 2.88Å; L60-N63 PolarHBondContact O-N 2.87Å; L61-N63 VanDerWaalsContact C-N 3.32Å; L61-N63 PolarHBondContact O-N 3.1Å; N63-L65 VanDerWaalsContact C-N 3.33Å; N63-L65 PolarHBondContact O-N 3.42Å; N63-T66 PolarHBondContact O-N 3.03Å; N63-S67 WeakPolarHBondContact O-CB 3.43Å; N63-S67 PolarHBondContact O-N 2.89Å; N63-S67 PolarHBondContact O-OG 3.46Å; N63-Y96 PolarHBondContact ND2-O 3.5Å; N63-S100 PolarHBondContact ND2-OG 3.41Å; N63-V116 HydrophobicContact CB-CG1 3.51Å; N63-V116 HydrophobicContact CB-CG2 4.45Å
64A96.6Very high94.1Very high10 Ų1049 Ų498%0.08324%0.237CC..Hα-helixtrans-59.3-45.7173.900000110.8L60 L61 S67 A68 L97L60-A64 WeakPolarHBondContact O-CB 3.47Å; L60-A64 PolarHBondContact O-N 3.3Å; L61-A64 WeakPolarHBondContact O-CB 3.29Å; L61-A64 PolarHBondContact O-N 3.37Å; A64-S67 WeakPolarHBondContact O-CB 3.39Å; A64-S67 PolarHBondContact O-N 2.89Å; A64-A68 WeakPolarHBondContact O-CB 3.21Å; A64-A68 PolarHBondContact O-N 2.68Å; A64-L97 HydrophobicContact CB-CD1 3.84Å
65L96.3Very high93.8Very high95 Ų9546 Ų4650%0.49722%0.221SC..Hα-helixtrans-59.9-50176177.562000111.7L61 A62 N63 S67 A68 L69L61-L65 WeakPolarHBondContact O-CB 3.48Å; L61-L65 PolarHBondContact O-N 2.89Å; A62-L65 PolarHBondContact O-N 3.45Å; N63-L65 VanDerWaalsContact C-N 3.33Å; N63-L65 PolarHBondContact O-N 3.42Å; L65-S67 VanDerWaalsContact C-N 3.28Å; L65-S67 PolarHBondContact O-N 3.26Å; L65-A68 PolarHBondContact O-N 3.4Å; L65-L69 HydrophobicContact CD1-CD1 4.33Å; L65-L69 HydrophobicContact CD1-CG 4.31Å; L65-L69 HydrophobicContact CG-CD1 4.29Å; L65-L69 WeakPolarHBondContact O-CG 3.5Å; L65-L69 PolarHBondContact O-N 2.89Å
66T96.3Very high93.1Very high7 Ų748.6 Ų48.64%0.04324%0.24CC..Hα-helixtrans-57.7-44.7177-58.80000111.3M28 S31 R32 A62 N63 R70M28-T66 HydrophobicContact CB-CG2 4.47Å; S31-T66 VanDerWaalsContact CB-OG1 3.3Å; S31-T66 WeakPolarHBondContact CB-OG1 3.45Å; S31-T66 PolarHBondContact OG-OG1 3.44Å; R32-T66 HydrophobicContact CG-CG2 3.69Å; A62-T66 PolarHBondContact O-N 3.46Å; A62-T66 PolarHBondContact O-OG1 3.33Å; N63-T66 PolarHBondContact O-N 3.03Å; T66-R70 VanDerWaalsContact O-CB 3.31Å; T66-R70 WeakPolarHBondContact O-CB 3.49Å; T66-R70 PolarHBondContact O-N 3.4Å
67S94.9Very high92.4Very high7 Ų759.4 Ų59.45%0.04928%0.28CS..Hα-helixtrans-63.8-42.5179.1-65.80000111.9N63 A64 L65 R70 L71 S93N63-S67 WeakPolarHBondContact O-CB 3.43Å; N63-S67 PolarHBondContact O-N 2.89Å; N63-S67 PolarHBondContact O-OG 3.46Å; A64-S67 WeakPolarHBondContact O-CB 3.39Å; A64-S67 PolarHBondContact O-N 2.89Å; L65-S67 VanDerWaalsContact C-N 3.28Å; L65-S67 PolarHBondContact O-N 3.26Å; S67-R70 PolarHBondContact O-N 3.08Å; S67-L71 VanDerWaalsContact O-CB 3.31Å; S67-L71 WeakPolarHBondContact O-CB 3.26Å; S67-L71 PolarHBondContact O-N 2.93Å; S67-S93 WeakPolarHBondContact CB-O 3.24Å
68A94Very high91.8Very high40 Ų4062.6 Ų62.633%0.33129%0.293SS..Hα-helixtrans-65.7-45.7176.900000112.1A64 L65 R70 L71 H72 L97A64-A68 WeakPolarHBondContact O-CB 3.21Å; A64-A68 PolarHBondContact O-N 2.68Å; L65-A68 PolarHBondContact O-N 3.4Å; A68-R70 VanDerWaalsContact C-N 3.31Å; A68-R70 PolarHBondContact O-N 3.21Å; A68-L71 PolarHBondContact O-N 3.34Å; A68-H72 WeakPolarHBondContact O-CB 3.47Å; A68-H72 PolarHBondContact O-N 3.17Å; A68-L97 HydrophobicContact CB-CD1 4.41Å
69L93.6Very high91.2Very high50 Ų5062.2 Ų62.226%0.26230%0.297SS..Hα-helixtrans-60-43.6174.8-70.8174.5000111.3L24 M28 L65 L71 H72 Q73L24-L69 HydrophobicContact CD2-CB 4.32Å; M28-L69 HydrophobicContact CG-CB 3.84Å; M28-L69 HydrophobicContact CG-CD1 4.05Å; M28-L69 HydrophobicContact SD-CB 4.23Å; L65-L69 HydrophobicContact CD1-CD1 4.33Å; L65-L69 HydrophobicContact CD1-CG 4.31Å; L65-L69 HydrophobicContact CG-CD1 4.29Å; L65-L69 WeakPolarHBondContact O-CG 3.5Å; L65-L69 PolarHBondContact O-N 2.89Å; L69-L71 VanDerWaalsContact C-N 3.33Å; L69-L71 PolarHBondContact O-N 2.96Å; L69-H72 PolarHBondContact O-N 3.35Å; L69-Q73 PolarHBondContact O-N 3.17Å
70R92.3Very high90.6Very high59 Ų5970.1 Ų70.122%0.22334%0.338CS..Hα-helixtrans-65.6-37.7178.1-17257.3167.2179.34.1112.2E25 M28 T66 S67 A68 Q73 R74 S93E25-R70 IonicContact OE1-NH1 2.94Å; E25-R70 PolarHBondContact OE1-NH1 3.49Å; M28-R70 HydrophobicContact SD-CB 3.97Å; T66-R70 VanDerWaalsContact O-CB 3.31Å; T66-R70 WeakPolarHBondContact O-CB 3.49Å; T66-R70 PolarHBondContact O-N 3.4Å; S67-R70 PolarHBondContact O-N 3.08Å; A68-R70 VanDerWaalsContact C-N 3.31Å; A68-R70 PolarHBondContact O-N 3.21Å; R70-Q73 PolarHBondContact O-N 2.92Å; R70-R74 VanDerWaalsContact NH2-NH2 3.12Å; R70-R74 WeakPolarHBondContact O-CG 3.24Å; R70-R74 PolarHBondContact O-N 3.34Å; R70-S93 WeakPolarHBondContact CG-OG 3.42Å
71L90.9Very high90.2Very high22 Ų2272.4 Ų72.412%0.11536%0.355CS..Hα-helixtrans-66.3-42.7176.2-170.363.6000110.9S67 A68 L69 Q73 R74 L75 E91 C94S67-L71 VanDerWaalsContact O-CB 3.31Å; S67-L71 WeakPolarHBondContact O-CB 3.26Å; S67-L71 PolarHBondContact O-N 2.93Å; A68-L71 PolarHBondContact O-N 3.34Å; L69-L71 VanDerWaalsContact C-N 3.33Å; L69-L71 PolarHBondContact O-N 2.96Å; L71-Q73 VanDerWaalsContact C-N 3.3Å; L71-Q73 PolarHBondContact O-N 3.02Å; L71-R74 PolarHBondContact O-N 2.98Å; L71-R74 VanDerWaalsContact O-N 3.13Å; L71-L75 HydrophobicContact CD1-CD1 3.66Å; L71-L75 HydrophobicContact CD1-CG 3.93Å; L71-L75 HydrophobicContact CD2-CD1 4.25Å; L71-L75 HydrophobicContact CG-CD1 3.62Å; L71-L75 HydrophobicContact CG-CG 4.22Å; L71-L75 WeakPolarHBondContact O-CG 3.41Å; L71-L75 PolarHBondContact O-N 3.3Å; L71-E91 HydrophobicContact CD1-CB 3.73Å; L71-E91 HydrophobicContact CD1-CG 3.98Å; L71-C94 HydrophobicContact CD1-CB 4.05Å; L71-C94 HydrophobicContact CD2-CB 4.11Å
72H89.7Confident89.8Confident142 Ų14279 Ų7966%0.65737%0.373SS*.Hα-helixtrans-59.5-37.9174.9-178.872.4000112.7A68 L69A68-H72 WeakPolarHBondContact O-CB 3.47Å; A68-H72 PolarHBondContact O-N 3.17Å; L69-H72 PolarHBondContact O-N 3.35Å
73Q89.8Confident89.2Confident64 Ų6482.1 Ų82.130%0.29940%0.399SS..Hα-helixtrans-69-32.3174.8-73.6-175.5-42.500114.2L24 E25 L69 R70 L71L24-Q73 HydrophobicContact CD1-CG 3.58Å; L24-Q73 VanDerWaalsContact CD2-CD 3.43Å; L24-Q73 HydrophobicContact CD2-CG 3.66Å; L24-Q73 VanDerWaalsContact CD2-NE2 3.29Å; L24-Q73 HydrophobicContact CG-CG 4.26Å; E25-Q73 PolarHBondContact OE1-NE2 3.39Å; E25-Q73 PolarHBondContact OE1-OE1 2.92Å; L69-Q73 PolarHBondContact O-N 3.17Å; R70-Q73 PolarHBondContact O-N 2.92Å; L71-Q73 VanDerWaalsContact C-N 3.3Å; L71-Q73 PolarHBondContact O-N 3.02Å
74R86.8Confident88.8Confident98 Ų9883.1 Ų83.137%0.3740%0.403SS..Hα-helixtrans-92.2-25.4-171.7-73.4-166.7-173-12712.2113.5R70 L71 E91R70-R74 VanDerWaalsContact NH2-NH2 3.12Å; R70-R74 WeakPolarHBondContact O-CG 3.24Å; R70-R74 PolarHBondContact O-N 3.34Å; L71-R74 PolarHBondContact O-N 2.98Å; L71-R74 VanDerWaalsContact O-N 3.13Å; R74-E91 WeakPolarHBondContact CD-OE2 3.33Å; R74-E91 IonicContact NE-OE2 2.84Å
75L86.1Confident88.3Confident23 Ų2387.6 Ų87.612%0.1243%0.425CS..SBendtrans-86.1146.1178.7-68.4177.6000111.1L71 F84 Q87 A88L71-L75 HydrophobicContact CD1-CD1 3.66Å; L71-L75 HydrophobicContact CD1-CG 3.93Å; L71-L75 HydrophobicContact CD2-CD1 4.25Å; L71-L75 HydrophobicContact CG-CD1 3.62Å; L71-L75 HydrophobicContact CG-CG 4.22Å; L71-L75 WeakPolarHBondContact O-CG 3.41Å; L71-L75 PolarHBondContact O-N 3.3Å; L75-F84 HydrophobicContact CB-CE2 3.92Å; L75-F84 HydrophobicContact CB-CZ 4.09Å; L75-F84 HydrophobicContact CD1-CE1 4.06Å; L75-F84 HydrophobicContact CD1-CE2 4.1Å; L75-F84 HydrophobicContact CD1-CZ 3.56Å; L75-F84 HydrophobicContact CG-CE2 4.42Å; L75-F84 HydrophobicContact CG-CZ 4.35Å; L75-Q87 HydrophobicContact CD2-CG 4.06Å; L75-A88 HydrophobicContact CD1-CB 3.71Å; L75-A88 HydrophobicContact CD2-CB 4.22Å
76P79Confident87.8Confident74 Ų7485.2 Ų85.248%0.48142%0.419SS..  trans-63.1175.8169.230.1-34.9000110.3F78 F84P76-F78 PolarHBondContact O-N 3.44Å; P76-F84 HydrophobicContact CG-CD2 4.39Å; P76-F84 HydrophobicContact CG-CE2 4.46Å
77R79.5Confident87.3Confident228 Ų22888.8 Ų88.886%0.8644%0.435SS*.SBendtrans-44.7132.9174.4-70.3-177.6-179.3168.70.5110Q79R77-Q79 PolarHBondContact O-N 3.03Å
78F82.4Confident86.9Confident154 Ų15488.8 Ų88.868%0.67544%0.435SS*.  trans-53.4123.8-174.8176.6-99.5000110.8P76 L80 F84P76-F78 PolarHBondContact O-N 3.44Å; F78-L80 HydrophobicContact CE1-CB 4.42Å; F78-L80 HydrophobicContact CZ-CB 4.37Å; F78-L80 HydrophobicContact CZ-CD1 3.96Å; F78-F84 AromaticContact CD2-CE1 3.8Å; F78-F84 HydrophobicContact CD2-CE1 3.8Å; F78-F84 AromaticContact CD2-CZ 3.83Å; F78-F84 HydrophobicContact CD2-CZ 3.83Å; F78-F84 HydrophobicContact CE2-CE1 4.08Å
79Q82.9Confident86.7Confident125 Ų12589.5 Ų89.558%0.58443%0.433SS*.  trans-134.1122.8173.5-70.6-179.8-0.200107.4R77 S81 F84R77-Q79 PolarHBondContact O-N 3.03Å; Q79-S81 PolarHBondContact O-N 2.97Å; Q79-F84 WeakPolarHBondContact O-CB 3.16Å; Q79-F84 VanDerWaalsContact O-CD1 3.25Å; Q79-F84 WeakPolarHBondContact O-CD1 3.45Å; Q79-F84 WeakPolarHBondContact O-CG 3.4Å
80L83.3Confident86.3Confident165 Ų16592 Ų9286%0.86444%0.444SS*.  trans-76.878176.3-165.283.1000109.3F78F78-L80 HydrophobicContact CE1-CB 4.42Å; F78-L80 HydrophobicContact CZ-CB 4.37Å; F78-L80 HydrophobicContact CZ-CD1 3.96Å
81S89Confident86.2Confident49 Ų4989.6 Ų89.634%0.34344%0.435SS..SBendtrans-130.4154.1178.478.50000111.3Q79 A83 F84 L85Q79-S81 PolarHBondContact O-N 2.97Å; S81-A83 PolarHBondContact O-N 3.31Å; S81-F84 PolarHBondContact O-N 3.37Å; S81-F84 WeakPolarHBondContact OG-CB 3.4Å; S81-F84 PolarHBondContact OG-N 2.88Å; S81-L85 PolarHBondContact O-N 3.28Å
82R87.4Confident86.1Confident232 Ų23290.2 Ų90.288%0.87544%0.439SS*.Hα-helixtrans-57.3-36.4174.3-176.2179.4175-168-1111.5A86R82-A86 VanDerWaalsContact O-CB 3.28Å; R82-A86 WeakPolarHBondContact O-CB 3.43Å; R82-A86 PolarHBondContact O-N 2.97Å
83A86.4Confident86.1Confident73 Ų7384.4 Ų84.460%0.60341%0.414SS*.Hα-helixtrans-65.6-44.9177.300000111.8S81 A86 Q87S81-A83 PolarHBondContact O-N 3.31Å; A83-A86 PolarHBondContact O-N 3.32Å; A83-Q87 WeakPolarHBondContact O-CB 3.3Å; A83-Q87 PolarHBondContact O-N 3.23Å
84F87Confident86.2Confident29 Ų2982 Ų8213%0.12740%0.404CS..Hα-helixtrans-62.1-44.9176.3-179.9-90.9000111.7L75 P76 F78 Q79 S81 Q87 A88L75-F84 HydrophobicContact CB-CE2 3.92Å; L75-F84 HydrophobicContact CB-CZ 4.09Å; L75-F84 HydrophobicContact CD1-CE1 4.06Å; L75-F84 HydrophobicContact CD1-CE2 4.1Å; L75-F84 HydrophobicContact CD1-CZ 3.56Å; L75-F84 HydrophobicContact CG-CE2 4.42Å; L75-F84 HydrophobicContact CG-CZ 4.35Å; P76-F84 HydrophobicContact CG-CD2 4.39Å; P76-F84 HydrophobicContact CG-CE2 4.46Å; F78-F84 AromaticContact CD2-CE1 3.8Å; F78-F84 HydrophobicContact CD2-CE1 3.8Å; F78-F84 AromaticContact CD2-CZ 3.83Å; F78-F84 HydrophobicContact CD2-CZ 3.83Å; F78-F84 HydrophobicContact CE2-CE1 4.08Å; Q79-F84 WeakPolarHBondContact O-CB 3.16Å; Q79-F84 VanDerWaalsContact O-CD1 3.25Å; Q79-F84 WeakPolarHBondContact O-CD1 3.45Å; Q79-F84 WeakPolarHBondContact O-CG 3.4Å; S81-F84 PolarHBondContact O-N 3.37Å; S81-F84 WeakPolarHBondContact OG-CB 3.4Å; S81-F84 PolarHBondContact OG-N 2.88Å; F84-Q87 PolarHBondContact O-N 3.23Å; F84-A88 WeakPolarHBondContact O-CB 3.34Å; F84-A88 PolarHBondContact O-N 3.43Å
85L86.2Confident86.5Confident103 Ų10377.3 Ų77.354%0.53939%0.386SS..Hα-helixtrans-65-41.8177.8-176.162.3000111.8S81 Q87 A88 L89S81-L85 PolarHBondContact O-N 3.28Å; L85-Q87 VanDerWaalsContact C-N 3.3Å; L85-Q87 PolarHBondContact O-N 3Å; L85-A88 PolarHBondContact O-N 3.49Å; L85-L89 HydrophobicContact CD1-CD1 4.32Å; L85-L89 HydrophobicContact CD1-CG 4.26Å; L85-L89 HydrophobicContact CG-CD1 4.04Å; L85-L89 HydrophobicContact CG-CG 4.41Å; L85-L89 WeakPolarHBondContact O-CB 3.45Å; L85-L89 VanDerWaalsContact O-CG 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.32Å; L85-L89 PolarHBondContact O-N 3.11Å
86A86Confident86.9Confident46 Ų4676.6 Ų76.638%0.3838%0.382SS..Hα-helixtrans-61.4-40.2175.600000111.7R82 A83 Q90R82-A86 VanDerWaalsContact O-CB 3.28Å; R82-A86 WeakPolarHBondContact O-CB 3.43Å; R82-A86 PolarHBondContact O-N 2.97Å; A83-A86 PolarHBondContact O-N 3.32Å; A86-Q90 WeakPolarHBondContact O-CG 3.47Å; A86-Q90 PolarHBondContact O-N 3.46Å
87Q86.6Confident87.6Confident82 Ų8274.9 Ų74.938%0.38337%0.369SS..Hα-helixtrans-66.7-44.4174.8-174.5178.5-5.100111.7L75 A83 F84 L85 L89 Q90L75-Q87 HydrophobicContact CD2-CG 4.06Å; A83-Q87 WeakPolarHBondContact O-CB 3.3Å; A83-Q87 PolarHBondContact O-N 3.23Å; F84-Q87 PolarHBondContact O-N 3.23Å; L85-Q87 VanDerWaalsContact C-N 3.3Å; L85-Q87 PolarHBondContact O-N 3Å; Q87-L89 VanDerWaalsContact C-N 3.34Å; Q87-L89 PolarHBondContact O-N 2.98Å; Q87-Q90 WeakPolarHBondContact O-CB 3.34Å; Q87-Q90 PolarHBondContact O-N 3.06Å; Q87-Q90 VanDerWaalsContact O-N 3.11Å
88A86.9Confident88.2Confident6 Ų667 Ų675%0.0534%0.343CS..Hα-helixtrans-59.9-44.1176.500000111.7L75 F84 L85 Q90 E91 C94L75-A88 HydrophobicContact CD1-CB 3.71Å; L75-A88 HydrophobicContact CD2-CB 4.22Å; F84-A88 WeakPolarHBondContact O-CB 3.34Å; F84-A88 PolarHBondContact O-N 3.43Å; L85-A88 PolarHBondContact O-N 3.49Å; A88-Q90 PolarHBondContact O-N 3.31Å; A88-E91 WeakPolarHBondContact O-CB 3.43Å; A88-E91 PolarHBondContact O-N 3.34Å; A88-C94 WeakPolarHBondContact O-CB 3.44Å
89L88.1Confident88.7Confident55 Ų5559.7 Ų59.729%0.28831%0.311SS..THydrogen-bonded Turntrans-68.9-9.1177.6-71.1173.7000113.9L85 Q87 H95 L98 L195L85-L89 HydrophobicContact CD1-CD1 4.32Å; L85-L89 HydrophobicContact CD1-CG 4.26Å; L85-L89 HydrophobicContact CG-CD1 4.04Å; L85-L89 HydrophobicContact CG-CG 4.41Å; L85-L89 WeakPolarHBondContact O-CB 3.45Å; L85-L89 VanDerWaalsContact O-CG 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.32Å; L85-L89 PolarHBondContact O-N 3.11Å; Q87-L89 VanDerWaalsContact C-N 3.34Å; Q87-L89 PolarHBondContact O-N 2.98Å; L89-H95 PolarHBondContact O-NE2 3.3Å; L89-L98 HydrophobicContact CD2-CD1 4.28Å; L89-L195 HydrophobicContact CB-CD2 4.45Å; L89-L195 HydrophobicContact CD2-CD1 4.25Å
90Q86.6Confident89.3Confident103 Ų10353.8 Ų53.848%0.48128%0.283SS..THydrogen-bonded Turntrans-89.8-12.4170.6-70.7171.919.600112.7A86 Q87 A88A86-Q90 WeakPolarHBondContact O-CG 3.47Å; A86-Q90 PolarHBondContact O-N 3.46Å; Q87-Q90 WeakPolarHBondContact O-CB 3.34Å; Q87-Q90 PolarHBondContact O-N 3.06Å; Q87-Q90 VanDerWaalsContact O-N 3.11Å; A88-Q90 PolarHBondContact O-N 3.31Å
91E88.9Confident89.7Confident8 Ų850 Ų504%0.03726%0.264CS..SBendtrans-81.1129.1-179.9-69.8-70.2152.800111.3L71 R74 A88 S93 C94 H95 R201L71-E91 HydrophobicContact CD1-CB 3.73Å; L71-E91 HydrophobicContact CD1-CG 3.98Å; R74-E91 WeakPolarHBondContact CD-OE2 3.33Å; R74-E91 IonicContact NE-OE2 2.84Å; A88-E91 WeakPolarHBondContact O-CB 3.43Å; A88-E91 PolarHBondContact O-N 3.34Å; E91-S93 PolarHBondContact O-N 3.12Å; E91-S93 VanDerWaalsContact O-N 3.16Å; E91-C94 HydrophobicContact CB-CB 4.32Å; E91-C94 WeakPolarHBondContact O-CB 3.39Å; E91-C94 PolarHBondContact O-N 3.23Å; E91-H95 PolarHBondContact O-N 3.47Å; E91-R201 IonicContact OE1-CZ 3.29Å; E91-R201 IonicContact OE1-NH1 3.29Å; E91-R201 PolarHBondContact OE1-NH1 3.25Å; E91-R201 IonicContact OE1-NH2 2.64Å; E91-R201 PolarHBondContact OE1-NH2 3.42Å; E91-R201 IonicContact OE2-CZ 2.8Å; E91-R201 IonicContact OE2-NH1 3.4Å; E91-R201 PolarHBondContact OE2-NH1 3.03Å
92D88.8Confident89.8Confident36 Ų3649.2 Ų49.219%0.19326%0.255CS..Hα-helixtrans-57.5-33.4175.9-65.8-34.1000111.7C94 H95 Y96 R196 S199D92-C94 VanDerWaalsContact C-N 3.31Å; D92-C94 PolarHBondContact O-N 3.05Å; D92-H95 WeakPolarHBondContact O-CB 3.49Å; D92-H95 PolarHBondContact O-N 2.88Å; D92-Y96 WeakPolarHBondContact O-CD2 3.45Å; D92-Y96 PolarHBondContact O-N 3.24Å; D92-R196 IonicContact OD1-NH1 3.28Å; D92-R196 PolarHBondContact OD1-NH1 3.49Å; D92-S199 PolarHBondContact OD1-OG 2.98Å
93S91.1Very high90Very high19 Ų1938.1 Ų38.113%0.13321%0.213CC..Hα-helixtrans-66.1-31.5176.2-55.20000112.5S67 R70 E91 L97S67-S93 WeakPolarHBondContact CB-O 3.24Å; R70-S93 WeakPolarHBondContact CG-OG 3.42Å; E91-S93 PolarHBondContact O-N 3.12Å; E91-S93 VanDerWaalsContact O-N 3.16Å; S93-L97 WeakPolarHBondContact O-CB 3.44Å; S93-L97 PolarHBondContact O-N 3.37Å
94C91.6Very high90.2Very high13 Ų1335.4 Ų35.49%0.08819%0.189CC..Hα-helixtrans-68.6-41.7171.5-175.80000110.9L71 A88 E91 D92 Y96 L97 L98L71-C94 HydrophobicContact CD1-CB 4.05Å; L71-C94 HydrophobicContact CD2-CB 4.11Å; A88-C94 WeakPolarHBondContact O-CB 3.44Å; E91-C94 HydrophobicContact CB-CB 4.32Å; E91-C94 WeakPolarHBondContact O-CB 3.39Å; E91-C94 PolarHBondContact O-N 3.23Å; D92-C94 VanDerWaalsContact C-N 3.31Å; D92-C94 PolarHBondContact O-N 3.05Å; C94-Y96 VanDerWaalsContact C-N 3.34Å; C94-Y96 PolarHBondContact O-N 3.26Å; C94-L97 WeakPolarHBondContact O-CB 3.38Å; C94-L97 PolarHBondContact O-N 3.43Å; C94-L98 WeakPolarHBondContact O-CG 3.26Å; C94-L98 PolarHBondContact O-N 2.92Å
95H93.1Very high90.1Very high0 Ų040.8 Ų40.80%022%0.219CC..Hα-helixtrans-59.8-45.7177.4-54.6161.6000111.5L89 E91 D92 L97 L98 Y99 F192 L195 R196L89-H95 PolarHBondContact O-NE2 3.3Å; E91-H95 PolarHBondContact O-N 3.47Å; D92-H95 WeakPolarHBondContact O-CB 3.49Å; D92-H95 PolarHBondContact O-N 2.88Å; H95-L97 VanDerWaalsContact C-N 3.34Å; H95-L98 PolarHBondContact O-N 2.99Å; H95-Y99 WeakPolarHBondContact O-CB 3.47Å; H95-Y99 PolarHBondContact O-N 3.29Å; H95-F192 HydrophobicContact CB-CD2 4.23Å; H95-F192 HydrophobicContact CB-CE2 3.83Å; H95-F192 WeakPolarHBondContact O-CD2 3.4Å; H95-F192 WeakPolarHBondContact O-CE2 3.46Å; H95-L195 PolarHBondContact CE1-O 3.28Å; H95-R196 WeakPolarHBondContact ND1-CD 3.34Å
96Y93.1Very high89.9Confident8 Ų837.1 Ų37.13%0.03120%0.202CC..Hα-helixtrans-71.5-26.8179.3-91.1-89000113.9N63 D92 C94 S100 P115 F119 I161 E165N63-Y96 PolarHBondContact ND2-O 3.5Å; D92-Y96 WeakPolarHBondContact O-CD2 3.45Å; D92-Y96 PolarHBondContact O-N 3.24Å; C94-Y96 VanDerWaalsContact C-N 3.34Å; C94-Y96 PolarHBondContact O-N 3.26Å; Y96-S100 PolarHBondContact O-N 2.83Å; Y96-S100 VanDerWaalsContact O-N 3.12Å; Y96-S100 PolarHBondContact O-OG 2.97Å; Y96-P115 HydrophobicContact CE1-CB 4.03Å; Y96-P115 VanDerWaalsContact OH-CB 3.3Å; Y96-P115 WeakPolarHBondContact OH-CB 3.42Å; Y96-F119 AromaticContact CE1-CD2 3.7Å; Y96-F119 HydrophobicContact CE1-CD2 3.7Å; Y96-F119 HydrophobicContact CE1-CE2 4.23Å; Y96-F119 AromaticContact CE2-CD2 3.77Å; Y96-F119 HydrophobicContact CE2-CD2 3.77Å; Y96-F119 AromaticContact CE2-CE2 3.52Å; Y96-F119 HydrophobicContact CE2-CE2 3.52Å; Y96-F119 HydrophobicContact CE2-CZ 4.26Å; Y96-F119 AromaticContact CZ-CD2 3.24Å; Y96-F119 AromaticContact CZ-CE2 3.3Å; Y96-F119 WeakPolarHBondContact OH-CD2 3.34Å; Y96-F119 WeakPolarHBondContact OH-CE2 3.22Å; Y96-I161 WeakPolarHBondContact OH-CG2 3.37Å; Y96-E165 PolarHBondContact OH-OE1 3.47Å
97L94.3Very high89.9Confident39 Ų3941.2 Ų41.220%0.20421%0.209CC..Hα-helixtrans-64.6-51.4168176.561.1000110.5A64 A68 S93 C94 H95 Y99 S100 L101A64-L97 HydrophobicContact CB-CD1 3.84Å; A68-L97 HydrophobicContact CB-CD1 4.41Å; S93-L97 WeakPolarHBondContact O-CB 3.44Å; S93-L97 PolarHBondContact O-N 3.37Å; C94-L97 WeakPolarHBondContact O-CB 3.38Å; C94-L97 PolarHBondContact O-N 3.43Å; H95-L97 VanDerWaalsContact C-N 3.34Å; L97-Y99 VanDerWaalsContact C-N 3.34Å; L97-Y99 PolarHBondContact O-N 3.5Å; L97-S100 PolarHBondContact O-N 3.3Å; L97-L101 HydrophobicContact CD1-CD1 4.15Å; L97-L101 HydrophobicContact CD1-CG 4.37Å; L97-L101 HydrophobicContact CG-CD1 4.16Å; L97-L101 WeakPolarHBondContact O-CG 3.24Å; L97-L101 PolarHBondContact O-N 2.84Å
98L92.6Very high89.9Confident61 Ų6139.1 Ų39.132%0.31920%0.202SC..Hα-helixtrans-60-45.2177.3-67.4174.5000111.2L89 C94 H95 S100 L101 I102 L195L89-L98 HydrophobicContact CD2-CD1 4.28Å; C94-L98 WeakPolarHBondContact O-CG 3.26Å; C94-L98 PolarHBondContact O-N 2.92Å; H95-L98 PolarHBondContact O-N 2.99Å; L98-S100 VanDerWaalsContact C-N 3.33Å; L98-S100 PolarHBondContact O-N 3.06Å; L98-L101 PolarHBondContact O-N 3.34Å; L98-L101 VanDerWaalsContact O-N 3.13Å; L98-I102 HydrophobicContact CB-CD1 4.46Å; L98-I102 VanDerWaalsContact O-CD1 3.28Å; L98-I102 WeakPolarHBondContact O-CD1 3.45Å; L98-I102 WeakPolarHBondContact O-CG1 3.42Å; L98-I102 PolarHBondContact O-N 3.04Å; L98-L195 HydrophobicContact CD1-CD1 4.18Å
99Y93.4Very high90Very high1 Ų139.5 Ų39.50%0.00420%0.203CC..Hα-helixtrans-50.9-51.7175.9-174.2-92.3000112H95 L97 L101 I102 L103 S112 V116 L168 Y189 F192H95-Y99 WeakPolarHBondContact O-CB 3.47Å; H95-Y99 PolarHBondContact O-N 3.29Å; L97-Y99 VanDerWaalsContact C-N 3.34Å; L97-Y99 PolarHBondContact O-N 3.5Å; Y99-L101 PolarHBondContact O-N 2.94Å; Y99-I102 PolarHBondContact O-N 3.35Å; Y99-L103 HydrophobicContact CD1-CD1 3.59Å; Y99-L103 HydrophobicContact CD2-CD1 4.13Å; Y99-L103 HydrophobicContact CE1-CD1 3.18Å; Y99-L103 HydrophobicContact CE2-CD1 3.84Å; Y99-L103 HydrophobicContact CG-CD1 4.04Å; Y99-L103 WeakPolarHBondContact O-CB 3.49Å; Y99-L103 WeakPolarHBondContact O-CG 3.44Å; Y99-L103 PolarHBondContact O-N 3.36Å; Y99-L103 VanDerWaalsContact O-N 3.15Å; Y99-S112 WeakPolarHBondContact CE1-O 3.49Å; Y99-S112 WeakPolarHBondContact OH-CA 3.45Å; Y99-S112 WeakPolarHBondContact OH-CB 3.41Å; Y99-S112 PolarHBondContact OH-O 2.91Å; Y99-V116 HydrophobicContact CD1-CG2 4.01Å; Y99-V116 HydrophobicContact CE1-CG2 3.8Å; Y99-L168 HydrophobicContact CE2-CD2 4.11Å; Y99-L168 VanDerWaalsContact OH-CD2 3.24Å; Y99-L168 WeakPolarHBondContact OH-CD2 3.34Å; Y99-Y189 HydrophobicContact CD2-CE2 4.07Å; Y99-Y189 AromaticContact CE2-CE2 3.65Å; Y99-Y189 HydrophobicContact CE2-CE2 3.65Å; Y99-F192 AromaticContact CD2-CD1 3.99Å; Y99-F192 HydrophobicContact CD2-CD1 3.99Å; Y99-F192 HydrophobicContact CD2-CD2 4.16Å; Y99-F192 AromaticContact CD2-CE1 3.52Å; Y99-F192 HydrophobicContact CD2-CE1 3.52Å; Y99-F192 AromaticContact CD2-CE2 3.69Å; Y99-F192 HydrophobicContact CD2-CE2 3.69Å; Y99-F192 HydrophobicContact CD2-CG 4.29Å; Y99-F192 AromaticContact CD2-CZ 3.35Å; Y99-F192 HydrophobicContact CD2-CZ 3.35Å; Y99-F192 AromaticContact CE2-CE1 3.89Å; Y99-F192 HydrophobicContact CE2-CE1 3.89Å; Y99-F192 HydrophobicContact CE2-CZ 4.01Å; Y99-F192 HydrophobicContact CG-CE2 4.14Å; Y99-F192 HydrophobicContact CG-CZ 4.14Å
100S94.7Very high90.1Very high1 Ų140.5 Ų40.51%0.00721%0.212CC..Hα-helixtrans-63.5-40.4178.6-74.20000112.8L60 N63 Y96 L97 L98 L103 V104L60-S100 VanDerWaalsContact O-CB 3.24Å; L60-S100 WeakPolarHBondContact O-CB 3.14Å; L60-S100 PolarHBondContact O-OG 3.36Å; N63-S100 PolarHBondContact ND2-OG 3.41Å; Y96-S100 PolarHBondContact O-N 2.83Å; Y96-S100 VanDerWaalsContact O-N 3.12Å; Y96-S100 PolarHBondContact O-OG 2.97Å; L97-S100 PolarHBondContact O-N 3.3Å; L98-S100 VanDerWaalsContact C-N 3.33Å; L98-S100 PolarHBondContact O-N 3.06Å; S100-L103 PolarHBondContact O-N 2.89Å; S100-V104 WeakPolarHBondContact O-CB 3.34Å; S100-V104 PolarHBondContact O-N 2.69Å
101L92.3Very high90.3Very high87 Ų8739.4 Ų39.446%0.45521%0.208SC..Hα-helixtrans-69.6-32.7179.4-67.6175.1000113.2L97 L98 Y99L97-L101 HydrophobicContact CD1-CD1 4.15Å; L97-L101 HydrophobicContact CD1-CG 4.37Å; L97-L101 HydrophobicContact CG-CD1 4.16Å; L97-L101 WeakPolarHBondContact O-CG 3.24Å; L97-L101 PolarHBondContact O-N 2.84Å; L98-L101 PolarHBondContact O-N 3.34Å; L98-L101 VanDerWaalsContact O-N 3.13Å; Y99-L101 PolarHBondContact O-N 2.94Å
102I90.7Very high90.5Very high31 Ų3139 Ų3916%0.15921%0.206CC..Hα-helixtrans-67.6-45175.4-66.4157.8000110.1L98 Y99 S106 L185 I188 F192L98-I102 HydrophobicContact CB-CD1 4.46Å; L98-I102 VanDerWaalsContact O-CD1 3.28Å; L98-I102 WeakPolarHBondContact O-CD1 3.45Å; L98-I102 WeakPolarHBondContact O-CG1 3.42Å; L98-I102 PolarHBondContact O-N 3.04Å; Y99-I102 PolarHBondContact O-N 3.35Å; I102-S106 PolarHBondContact O-OG 3.05Å; I102-L185 HydrophobicContact CG2-CD1 3.67Å; I102-I188 HydrophobicContact CD1-CG2 3.48Å; I102-I188 VanDerWaalsContact CD1-CG2 3.48Å; I102-I188 HydrophobicContact CG1-CG2 3.58Å; I102-I188 HydrophobicContact CG2-CG2 4.39Å; I102-F192 HydrophobicContact CD1-CB 4.47Å
103L91.3Very high90.8Very high0 Ų037.3 Ų37.30%020%0.197CC..Hα-helixtrans-86.4-24-169.6-70.2169.4000114L60 Y99 S100 N105 S106 I109 L185L60-L103 HydrophobicContact CD1-CB 3.64Å; Y99-L103 HydrophobicContact CD1-CD1 3.59Å; Y99-L103 HydrophobicContact CD2-CD1 4.13Å; Y99-L103 HydrophobicContact CE1-CD1 3.18Å; Y99-L103 HydrophobicContact CE2-CD1 3.84Å; Y99-L103 HydrophobicContact CG-CD1 4.04Å; Y99-L103 WeakPolarHBondContact O-CB 3.49Å; Y99-L103 WeakPolarHBondContact O-CG 3.44Å; Y99-L103 PolarHBondContact O-N 3.36Å; Y99-L103 VanDerWaalsContact O-N 3.15Å; S100-L103 PolarHBondContact O-N 2.89Å; L103-N105 PolarHBondContact O-N 2.98Å; L103-S106 WeakPolarHBondContact O-CB 3.47Å; L103-S106 PolarHBondContact O-N 3.5Å; L103-I109 HydrophobicContact CD2-CD1 4.22Å; L103-L185 HydrophobicContact CD2-CD1 4.32Å
104V91.1Very high90.9Very high15 Ų1539.4 Ų39.49%0.09120%0.203CC..Hα-helixtrans-60.8-32.6-177.669.80000113Q57 L60 L61 S100Q57-V104 HydrophobicContact CB-CG2 4.3Å; Q57-V104 HydrophobicContact CG-CG2 4.32Å; L60-V104 HydrophobicContact CB-CB 4.44Å; L60-V104 HydrophobicContact CD1-CB 4.32Å; L61-V104 HydrophobicContact CD1-CG2 4.49Å; L61-V104 HydrophobicContact CD2-CG2 4.04Å; L61-V104 HydrophobicContact CG-CG2 3.99Å; S100-V104 WeakPolarHBondContact O-CB 3.34Å; S100-V104 PolarHBondContact O-N 2.69Å
105N84.2Confident91Very high143 Ų14338.8 Ų38.877%0.76520%0.199SC*.THydrogen-bonded Turntrans-94.50.5178.4-61.3-51.9000113L103L103-N105 PolarHBondContact O-N 2.98Å
106S83.4Confident91.1Very high25 Ų2538.8 Ų38.818%0.17520%0.199CC..SBendtrans-92.9161.5-179.8-63.70000110.8I102 L103I102-S106 PolarHBondContact O-OG 3.05Å; L103-S106 WeakPolarHBondContact O-CB 3.47Å; L103-S106 PolarHBondContact O-N 3.5Å
107Y85.3Confident91.3Very high132 Ų13240.1 Ų40.152%0.51821%0.206SC..PPolyproline II helixtrans-55.7141169.9-174.1-95.8000110.1I109 M175 Q180Y107-I109 WeakPolarHBondContact O-CG1 3.38Å; Y107-I109 PolarHBondContact O-N 3.22Å; Y107-M175 HydrophobicContact CD1-CE 4.03Å; Y107-Q180 VanDerWaalsContact CB-O 3.25Å; Y107-Q180 WeakPolarHBondContact CB-O 3.35Å
108P87.3Confident91.4Very high38 Ų3839.3 Ų39.325%0.24720%0.201CC..PPolyproline II helixtrans-60.1122.2-175.7-24.834.5000112.8F42 A53 Y56F42-P108 HydrophobicContact CE2-CB 4.05Å; F42-P108 HydrophobicContact CZ-CB 4.2Å; A53-P108 HydrophobicContact CB-CG 4.29Å; Y56-P108 HydrophobicContact CD1-CB 4.13Å; Y56-P108 HydrophobicContact CD1-CG 4.32Å; Y56-P108 HydrophobicContact CD2-CB 4.25Å; Y56-P108 HydrophobicContact CE1-CB 4.39Å; Y56-P108 HydrophobicContact CG-CB 4.06Å
109I88.6Confident91.4Very high14 Ų1437.6 Ų37.67%0.07219%0.191CC..  trans-113.4111.3177.9-52.5172.1000109.2L103 Y107 M111 S112 L168 M175 L185L103-I109 HydrophobicContact CD2-CD1 4.22Å; Y107-I109 WeakPolarHBondContact O-CG1 3.38Å; Y107-I109 PolarHBondContact O-N 3.22Å; I109-M111 VanDerWaalsContact C-N 3.29Å; I109-M111 HydrophobicContact CG2-CB 4.16Å; I109-M111 PolarHBondContact O-N 3.36Å; I109-S112 WeakPolarHBondContact O-CB 3.22Å; I109-S112 PolarHBondContact O-N 3.35Å; I109-S112 PolarHBondContact O-OG 3.39Å; I109-L168 HydrophobicContact CD1-CD1 4.49Å; I109-L168 HydrophobicContact CG2-CD1 3.82Å; I109-M175 HydrophobicContact CD1-CE 3.84Å; I109-M175 HydrophobicContact CD1-SD 3.4Å; I109-M175 WeakPolarHBondContact CD1-SD 3.42Å; I109-M175 HydrophobicContact CG1-CE 3.64Å; I109-M175 HydrophobicContact CG1-SD 3.52Å; I109-M175 VanDerWaalsContact CG1-SD 3.52Å; I109-M175 HydrophobicContact CG2-SD 4.43Å; I109-L185 HydrophobicContact CD1-CD2 4.32Å
110T89.9Confident91.5Very high77 Ų7737.6 Ų37.647%0.47219%0.192SC..Hα-helixtrans-57.3-42.4-178.1-49.60000112.8F42 S112 I113 F114F42-T110 HydrophobicContact CE1-CG2 4.33Å; T110-S112 PolarHBondContact O-N 3.07Å; T110-S112 VanDerWaalsContact O-N 3.17Å; T110-I113 PolarHBondContact O-N 2.93Å; T110-F114 HydrophobicContact CG2-CE2 4.34Å
111M91.1Very high91.6Very high80 Ų8039.6 Ų39.639%0.39420%0.202SC..Hα-helixtrans-55.3-35.2176.8-75.5-71.8-78.800112.3I109 I113 F114 P115 N164 L168I109-M111 VanDerWaalsContact C-N 3.29Å; I109-M111 HydrophobicContact CG2-CB 4.16Å; I109-M111 PolarHBondContact O-N 3.36Å; M111-I113 VanDerWaalsContact C-N 3.3Å; M111-I113 PolarHBondContact O-N 3.36Å; M111-F114 PolarHBondContact O-N 3.28Å; M111-P115 WeakPolarHBondContact O-CD 3.2Å; M111-N164 VanDerWaalsContact CE-ND2 3.35Å; M111-N164 WeakPolarHBondContact CE-ND2 2.98Å; M111-N164 PolarHBondContact O-ND2 2.81Å; M111-N164 PolarHBondContact O-OD1 3.26Å; M111-L168 HydrophobicContact CB-CD1 4.3Å
112S92.2Very high91.6Very high0 Ų036 Ų360%018%0.183CC..Hα-helixtrans-73.6-15.9-175.875.30000115.1Y56 Y99 I109 T110Y56-S112 WeakPolarHBondContact CE2-OG 3.28Å; Y56-S112 PolarHBondContact OH-OG 3.37Å; Y99-S112 WeakPolarHBondContact CE1-O 3.49Å; Y99-S112 WeakPolarHBondContact OH-CA 3.45Å; Y99-S112 WeakPolarHBondContact OH-CB 3.41Å; Y99-S112 PolarHBondContact OH-O 2.91Å; I109-S112 WeakPolarHBondContact O-CB 3.22Å; I109-S112 PolarHBondContact O-N 3.35Å; I109-S112 PolarHBondContact O-OG 3.39Å; T110-S112 PolarHBondContact O-N 3.07Å; T110-S112 VanDerWaalsContact O-N 3.17Å
113I94.8Very high91.8Very high0 Ų038.4 Ų38.40%019%0.194CC..Hα-helixtrans-82.3-25.8176.9-71.3-58.2000112.2S39 F42 I43 Y56 A59 L60 T110 M111 V116 F117S39-I113 WeakPolarHBondContact OG-CG2 3.38Å; F42-I113 HydrophobicContact CD1-CB 4.09Å; F42-I113 HydrophobicContact CD1-CG1 3.59Å; F42-I113 HydrophobicContact CD1-CG2 4.19Å; F42-I113 HydrophobicContact CE1-CB 4.07Å; F42-I113 HydrophobicContact CE1-CG1 3.5Å; I43-I113 HydrophobicContact CD1-CG2 4.25Å; I43-I113 HydrophobicContact CG1-CG2 4.49Å; Y56-I113 HydrophobicContact CD2-CD1 3.52Å; Y56-I113 HydrophobicContact CD2-CG1 3.43Å; Y56-I113 VanDerWaalsContact CD2-CG1 3.43Å; Y56-I113 HydrophobicContact CE2-CD1 3.63Å; Y56-I113 HydrophobicContact CE2-CG1 3.56Å; Y56-I113 HydrophobicContact CG-CD1 4.44Å; A59-I113 HydrophobicContact CB-CD1 4.22Å; L60-I113 HydrophobicContact CD2-CD1 3.92Å; L60-I113 HydrophobicContact CG-CD1 4.07Å; T110-I113 PolarHBondContact O-N 2.93Å; M111-I113 VanDerWaalsContact C-N 3.3Å; M111-I113 PolarHBondContact O-N 3.36Å; I113-V116 PolarHBondContact O-N 2.93Å; I113-F117 HydrophobicContact CG2-CB 4.39Å; I113-F117 VanDerWaalsContact O-CB 3.31Å; I113-F117 WeakPolarHBondContact O-CB 3.24Å; I113-F117 PolarHBondContact O-N 3.5Å
114F94.3Very high91.9Very high62 Ų6238.6 Ų38.627%0.27220%0.195SC..Hα-helixtrans-57-47.3-178.1-76.7-82.7000113.6T110 M111 V116 F117 L118 F160T110-F114 HydrophobicContact CG2-CE2 4.34Å; M111-F114 PolarHBondContact O-N 3.28Å; F114-V116 VanDerWaalsContact C-N 3.34Å; F114-V116 PolarHBondContact O-N 3.47Å; F114-F117 PolarHBondContact O-N 2.97Å; F114-L118 WeakPolarHBondContact O-CB 3.3Å; F114-L118 VanDerWaalsContact O-CG 3.25Å; F114-L118 WeakPolarHBondContact O-CG 3.3Å; F114-L118 PolarHBondContact O-N 3.34Å; F114-F160 HydrophobicContact CB-CE1 4.44Å; F114-F160 HydrophobicContact CD1-CE1 4.21Å
115P93.9Very high92Very high0 Ų038.1 Ų38.10%019%0.192CC..Hα-helixtrans-57.9-46.4176-27.237.7000112.5Y96 M111 L118 F119 I161 N164 E165Y96-P115 HydrophobicContact CE1-CB 4.03Å; Y96-P115 VanDerWaalsContact OH-CB 3.3Å; Y96-P115 WeakPolarHBondContact OH-CB 3.42Å; M111-P115 WeakPolarHBondContact O-CD 3.2Å; P115-L118 PolarHBondContact O-N 2.89Å; P115-F119 WeakPolarHBondContact O-CB 3.31Å; P115-F119 WeakPolarHBondContact O-CD2 3.25Å; P115-F119 PolarHBondContact O-N 3.43Å; P115-I161 HydrophobicContact CB-CG2 3.66Å; P115-I161 HydrophobicContact CG-CG2 4.2Å; P115-N164 WeakPolarHBondContact CD-OD1 3.38Å; P115-N164 HydrophobicContact CG-CB 4.38Å; P115-N164 WeakPolarHBondContact CG-OD1 3.13Å; P115-E165 HydrophobicContact CG-CG 4.3Å
116V95.7Very high92.4Very high0 Ų034 Ų340%017%0.172CC..Hα-helixtrans-63.5-45.2-179.41700000111.7T35 L60 N63 Y99 I113 F114 S120T35-V116 HydrophobicContact CG2-CG1 3.44Å; T35-V116 VanDerWaalsContact CG2-CG1 3.44Å; L60-V116 HydrophobicContact CD2-CG2 4.03Å; N63-V116 HydrophobicContact CB-CG1 3.51Å; N63-V116 HydrophobicContact CB-CG2 4.45Å; Y99-V116 HydrophobicContact CD1-CG2 4.01Å; Y99-V116 HydrophobicContact CE1-CG2 3.8Å; I113-V116 PolarHBondContact O-N 2.93Å; F114-V116 VanDerWaalsContact C-N 3.34Å; F114-V116 PolarHBondContact O-N 3.47Å; V116-S120 VanDerWaalsContact O-CB 3.23Å; V116-S120 WeakPolarHBondContact O-CB 3.12Å; V116-S120 PolarHBondContact O-N 3.19Å; V116-S120 VanDerWaalsContact O-N 3.11Å; V116-S120 PolarHBondContact O-OG 3.47Å
117F96.6Very high92.8Very high37 Ų3733.3 Ų33.316%0.16217%0.166CC..Hα-helixtrans-62.1-52.5176.4169.2-108.3000111.6V36 V40 I113 F114 S120 L121V36-F117 HydrophobicContact CG1-CD2 4.45Å; V36-F117 HydrophobicContact CG1-CE2 3.96Å; V36-F117 HydrophobicContact CG2-CD2 4.45Å; V40-F117 HydrophobicContact CG2-CE2 3.89Å; I113-F117 HydrophobicContact CG2-CB 4.39Å; I113-F117 VanDerWaalsContact O-CB 3.31Å; I113-F117 WeakPolarHBondContact O-CB 3.24Å; I113-F117 PolarHBondContact O-N 3.5Å; F114-F117 PolarHBondContact O-N 2.97Å; F117-S120 PolarHBondContact O-N 2.9Å; F117-L121 HydrophobicContact CE1-CD2 4.13Å; F117-L121 HydrophobicContact CZ-CD2 3.96Å; F117-L121 VanDerWaalsContact O-CB 3.27Å; F117-L121 WeakPolarHBondContact O-CB 3.27Å; F117-L121 PolarHBondContact O-N 2.85Å
118L95.4Very high93.1Very high22 Ų2228.6 Ų28.612%0.11515%0.151CC..Hα-helixtrans-70-39.3-173.5-68.1172000112.3F114 P115 L121 L122 I157 F160 I161F114-L118 WeakPolarHBondContact O-CB 3.3Å; F114-L118 VanDerWaalsContact O-CG 3.25Å; F114-L118 WeakPolarHBondContact O-CG 3.3Å; F114-L118 PolarHBondContact O-N 3.34Å; P115-L118 PolarHBondContact O-N 2.89Å; L118-L121 PolarHBondContact O-N 3.12Å; L118-L122 WeakPolarHBondContact O-CB 3.38Å; L118-L122 WeakPolarHBondContact O-CG 3.35Å; L118-L122 PolarHBondContact O-N 3.37Å; L118-I157 HydrophobicContact CB-CG2 3.92Å; L118-I157 HydrophobicContact CD1-CG2 4.24Å; L118-I157 HydrophobicContact CD2-CG2 4.11Å; L118-I157 HydrophobicContact CG-CG2 4.31Å; L118-F160 HydrophobicContact CD1-CD1 3.43Å; L118-F160 VanDerWaalsContact CD1-CD1 3.43Å; L118-F160 HydrophobicContact CD1-CE1 3.81Å; L118-I161 HydrophobicContact CB-CD1 3.54Å; L118-I161 HydrophobicContact CB-CG1 3.68Å; L118-I161 HydrophobicContact CD1-CD1 4.45Å; L118-I161 HydrophobicContact CD1-CG1 3.69Å; L118-I161 HydrophobicContact CG-CG1 4.35Å
119F93.8Very high93.2Very high24 Ų2428.5 Ų28.511%0.10515%0.147CC..Hα-helixtrans-62.7-44.5172.4-91.8-65000111.6Y96 P115 L121 L122 H123 L158 I161Y96-F119 AromaticContact CE1-CD2 3.7Å; Y96-F119 HydrophobicContact CE1-CD2 3.7Å; Y96-F119 HydrophobicContact CE1-CE2 4.23Å; Y96-F119 AromaticContact CE2-CD2 3.77Å; Y96-F119 HydrophobicContact CE2-CD2 3.77Å; Y96-F119 AromaticContact CE2-CE2 3.52Å; Y96-F119 HydrophobicContact CE2-CE2 3.52Å; Y96-F119 HydrophobicContact CE2-CZ 4.26Å; Y96-F119 AromaticContact CZ-CD2 3.24Å; Y96-F119 AromaticContact CZ-CE2 3.3Å; Y96-F119 WeakPolarHBondContact OH-CD2 3.34Å; Y96-F119 WeakPolarHBondContact OH-CE2 3.22Å; P115-F119 WeakPolarHBondContact O-CB 3.31Å; P115-F119 WeakPolarHBondContact O-CD2 3.25Å; P115-F119 PolarHBondContact O-N 3.43Å; F119-L121 VanDerWaalsContact C-N 3.34Å; F119-L121 PolarHBondContact O-N 3.41Å; F119-L122 PolarHBondContact O-N 2.83Å; F119-H123 WeakPolarHBondContact O-CB 3.45Å; F119-H123 PolarHBondContact O-CD2 3.43Å; F119-H123 PolarHBondContact O-N 3.43Å; F119-H123 VanDerWaalsContact O-N 3.08Å; F119-L158 HydrophobicContact CD1-CD2 4.36Å; F119-L158 HydrophobicContact CE1-CD2 3.49Å; F119-L158 VanDerWaalsContact CE1-CD2 3.49Å; F119-L158 HydrophobicContact CZ-CD2 3.7Å; F119-I161 HydrophobicContact CD1-CD1 4.44Å; F119-I161 HydrophobicContact CD2-CD1 3.65Å; F119-I161 HydrophobicContact CD2-CG2 3.9Å; F119-I161 HydrophobicContact CE2-CB 4.28Å; F119-I161 HydrophobicContact CE2-CD1 3.72Å; F119-I161 HydrophobicContact CE2-CG2 3.45Å; F119-I161 VanDerWaalsContact CE2-CG2 3.45Å; F119-I161 HydrophobicContact CG-CD1 4.03Å; F119-I161 HydrophobicContact CZ-CD1 4.16Å; F119-I161 HydrophobicContact CZ-CG2 4.4Å
120S95.2Very high93.3Very high2 Ų233.1 Ų33.11%0.01417%0.166CC..Hα-helixtrans-62.9-42177-62.90000111.5T35 V116 F117 A124T35-S120 VanDerWaalsContact CG2-OG 3.3Å; T35-S120 WeakPolarHBondContact CG2-OG 3.44Å; V116-S120 VanDerWaalsContact O-CB 3.23Å; V116-S120 WeakPolarHBondContact O-CB 3.12Å; V116-S120 PolarHBondContact O-N 3.19Å; V116-S120 VanDerWaalsContact O-N 3.11Å; V116-S120 PolarHBondContact O-OG 3.47Å; F117-S120 PolarHBondContact O-N 2.9Å; S120-A124 WeakPolarHBondContact O-CB 3.42Å; S120-A124 PolarHBondContact O-N 3.22Å
121L95.6Very high93.2Very high42 Ų4230.3 Ų30.322%0.2215%0.149CC..Hα-helixtrans-64.4-45.8179-178.463.3000112.2V36 F117 L118 F119 T125V36-L121 HydrophobicContact CG2-CB 4.15Å; V36-L121 HydrophobicContact CG2-CD1 4.48Å; F117-L121 HydrophobicContact CE1-CD2 4.13Å; F117-L121 HydrophobicContact CZ-CD2 3.96Å; F117-L121 VanDerWaalsContact O-CB 3.27Å; F117-L121 WeakPolarHBondContact O-CB 3.27Å; F117-L121 PolarHBondContact O-N 2.85Å; L118-L121 PolarHBondContact O-N 3.12Å; F119-L121 VanDerWaalsContact C-N 3.34Å; F119-L121 PolarHBondContact O-N 3.41Å; L121-T125 WeakPolarHBondContact O-CB 3.35Å; L121-T125 PolarHBondContact O-N 2.93Å; L121-T125 PolarHBondContact O-OG1 3.35Å
122L94.1Very high93.1Very high11 Ų1126.8 Ų26.86%0.05813%0.132CC..Hα-helixtrans-60.7-50.1177.3-77.7175.2000111.1L118 F119 T125 T126 Q154 I157 L158L118-L122 WeakPolarHBondContact O-CB 3.38Å; L118-L122 WeakPolarHBondContact O-CG 3.35Å; L118-L122 PolarHBondContact O-N 3.37Å; F119-L122 PolarHBondContact O-N 2.83Å; L122-T125 WeakPolarHBondContact O-CB 3.43Å; L122-T125 PolarHBondContact O-N 2.88Å; L122-T126 PolarHBondContact O-N 3.27Å; L122-T126 PolarHBondContact O-OG1 2.97Å; L122-T126 VanDerWaalsContact O-OG1 3.06Å; L122-Q154 HydrophobicContact CD1-CG 4.18Å; L122-Q154 HydrophobicContact CD2-CB 4.24Å; L122-Q154 HydrophobicContact CD2-CG 4.09Å; L122-I157 HydrophobicContact CD1-CB 4.21Å; L122-I157 HydrophobicContact CD1-CG2 3.64Å; L122-I157 HydrophobicContact CD2-CD1 3.83Å; L122-I157 HydrophobicContact CD2-CG2 4.42Å; L122-I157 HydrophobicContact CG-CG2 4.06Å; L122-L158 HydrophobicContact CD1-CD2 4.08Å; L122-L158 HydrophobicContact CD1-CG 4.25Å
123H93.2Very high92.8Very high83 Ų8331 Ų3138%0.38415%0.154SC..Hα-helixtrans-70.5-35.1-179-72.5-52.5000113.1F119 T125 T126 Y127F119-H123 WeakPolarHBondContact O-CB 3.45Å; F119-H123 PolarHBondContact O-CD2 3.43Å; F119-H123 PolarHBondContact O-N 3.43Å; F119-H123 VanDerWaalsContact O-N 3.08Å; H123-T125 VanDerWaalsContact C-N 3.33Å; H123-T126 PolarHBondContact O-N 3.37Å; H123-Y127 PolarHBondContact O-N 2.86Å
124A94.4Very high92.3Very high3 Ų331.9 Ų31.93%0.02516%0.16CC..Hα-helixtrans-62-45.417200000110.1R32 L33 S120 T126 Y127 T128R32-A124 HydrophobicContact CB-CB 4.19Å; L33-A124 HydrophobicContact CD2-CB 3.99Å; S120-A124 WeakPolarHBondContact O-CB 3.42Å; S120-A124 PolarHBondContact O-N 3.22Å; A124-T126 PolarHBondContact O-N 3.49Å; A124-Y127 PolarHBondContact O-N 3.37Å; A124-T128 WeakPolarHBondContact O-CB 3.29Å; A124-T128 PolarHBondContact O-N 2.93Å; A124-T128 PolarHBondContact O-OG1 3.09Å
125T93.4Very high91.7Very high5 Ų533.8 Ų33.83%0.03117%0.171CC..Hα-helixtrans-56.7-48.5176.9-67.40000111.9L121 L122 H123 Y127 T128 K129 L147 L150L121-T125 WeakPolarHBondContact O-CB 3.35Å; L121-T125 PolarHBondContact O-N 2.93Å; L121-T125 PolarHBondContact O-OG1 3.35Å; L122-T125 WeakPolarHBondContact O-CB 3.43Å; L122-T125 PolarHBondContact O-N 2.88Å; H123-T125 VanDerWaalsContact C-N 3.33Å; T125-Y127 VanDerWaalsContact C-N 3.32Å; T125-Y127 PolarHBondContact O-N 3.25Å; T125-T128 PolarHBondContact O-N 3.46Å; T125-K129 WeakPolarHBondContact O-CG 3.42Å; T125-K129 PolarHBondContact O-N 3.43Å; T125-K129 VanDerWaalsContact O-N 3.08Å; T125-L147 HydrophobicContact CG2-CB 3.76Å; T125-L147 HydrophobicContact CG2-CD2 3.55Å; T125-L147 HydrophobicContact CG2-CG 4.18Å; T125-L150 HydrophobicContact CG2-CB 4.28Å
126T92.3Very high91.1Very high57 Ų5734.2 Ų34.235%0.3518%0.176SC..Hα-helixtrans-59.4-41.8178.6-50.90000112.3L122 H123 A124L122-T126 PolarHBondContact O-N 3.27Å; L122-T126 PolarHBondContact O-OG1 2.97Å; L122-T126 VanDerWaalsContact O-OG1 3.06Å; H123-T126 PolarHBondContact O-N 3.37Å; A124-T126 PolarHBondContact O-N 3.49Å
127Y91.8Very high90Very high10 Ų1039.7 Ų39.74%0.03921%0.211CC..Hα-helixtrans-76.7-37.5-179.5-167-91.6000112.3F18 L19 E25 T26 W29 H123 A124 T125 K129 K130 V131F18-Y127 HydrophobicContact CE1-CE2 4.47Å; L19-Y127 HydrophobicContact CD2-CE1 3.91Å; E25-Y127 HydrophobicContact CB-CD2 4.31Å; E25-Y127 HydrophobicContact CB-CE2 3.56Å; T26-Y127 PolarHBondContact N-OH 3.42Å; T26-Y127 PolarHBondContact OG1-OH 3.24Å; W29-Y127 HydrophobicContact CB-CD1 3.45Å; W29-Y127 VanDerWaalsContact CB-CD1 3.45Å; W29-Y127 HydrophobicContact CB-CE1 3.83Å; W29-Y127 HydrophobicContact CB-CG 3.92Å; W29-Y127 AromaticContact CD1-CD1 3.52Å; W29-Y127 AromaticContact CD1-CG 3.99Å; W29-Y127 AromaticContact CD2-CD1 3.59Å; W29-Y127 HydrophobicContact CD2-CD1 3.59Å; W29-Y127 AromaticContact CD2-CE1 3.94Å; W29-Y127 HydrophobicContact CD2-CE1 3.94Å; W29-Y127 HydrophobicContact CE3-CD1 4.22Å; W29-Y127 HydrophobicContact CE3-CE1 4.1Å; W29-Y127 AromaticContact CG-CD1 3.22Å; W29-Y127 HydrophobicContact CG-CD1 3.22Å; W29-Y127 AromaticContact CG-CE1 3.85Å; W29-Y127 HydrophobicContact CG-CE1 3.85Å; W29-Y127 AromaticContact CG-CG 3.95Å; W29-Y127 HydrophobicContact CG-CG 3.95Å; W29-Y127 AromaticContact NE1-CD1 3.96Å; H123-Y127 PolarHBondContact O-N 2.86Å; A124-Y127 PolarHBondContact O-N 3.37Å; T125-Y127 VanDerWaalsContact C-N 3.32Å; T125-Y127 PolarHBondContact O-N 3.25Å; Y127-K129 PolarHBondContact O-N 3.03Å; Y127-K130 HydrophobicContact CD2-CD 4.4Å; Y127-K130 WeakPolarHBondContact O-CB 3.37Å; Y127-K130 PolarHBondContact O-N 3.28Å; Y127-V131 HydrophobicContact CD1-CG2 3.83Å; Y127-V131 HydrophobicContact CE1-CG2 3.65Å; Y127-V131 PolarHBondContact O-N 3.48Å
128T91.6Very high88.8Confident34 Ų3440.4 Ų40.421%0.20923%0.229CC..Hα-helixtrans-58-37.9173.9-58.90000111.3W29 A124 T125 V131 L132 L147W29-T128 PolarHBondContact NE1-OG1 3.36Å; A124-T128 WeakPolarHBondContact O-CB 3.29Å; A124-T128 PolarHBondContact O-N 2.93Å; A124-T128 PolarHBondContact O-OG1 3.09Å; T125-T128 PolarHBondContact O-N 3.46Å; T128-V131 PolarHBondContact O-N 3.39Å; T128-L132 WeakPolarHBondContact O-CB 3.2Å; T128-L132 PolarHBondContact O-N 2.99Å; T128-L147 HydrophobicContact CG2-CD1 3.81Å
129K90.1Very high87.8Confident36 Ų3640.5 Ų40.516%0.15723%0.232CC..Hα-helixtrans-59-47.2172.2-71.2-172.4-173.7-173.30112.4T125 Y127 V131 L132 D133 L147 D148 T151T125-K129 WeakPolarHBondContact O-CG 3.42Å; T125-K129 PolarHBondContact O-N 3.43Å; T125-K129 VanDerWaalsContact O-N 3.08Å; Y127-K129 PolarHBondContact O-N 3.03Å; K129-V131 VanDerWaalsContact C-N 3.3Å; K129-V131 PolarHBondContact O-N 2.85Å; K129-L132 CarbonylContact O-C 3.4Å; K129-L132 WeakPolarHBondContact O-CB 3.26Å; K129-L132 PolarHBondContact O-N 3.36Å; K129-D133 PolarHBondContact O-N 3.4Å; K129-L147 HydrophobicContact CD-CB 4.31Å; K129-L147 VanDerWaalsContact CE-O 3.25Å; K129-L147 WeakPolarHBondContact CE-O 3.28Å; K129-L147 HydrophobicContact CG-CB 3.94Å; K129-L147 HydrophobicContact CG-CD1 3.79Å; K129-L147 HydrophobicContact CG-CG 4.5Å; K129-L147 PolarHBondContact NZ-O 3.16Å; K129-D148 VanDerWaalsContact CE-OD1 3.26Å; K129-D148 WeakPolarHBondContact CE-OD1 3.34Å; K129-D148 IonicContact NZ-OD1 2.9Å; K129-D148 PolarHBondContact NZ-OD1 2.96Å; K129-T151 WeakPolarHBondContact CE-OG1 2.96Å; K129-T151 PolarHBondContact NZ-OG1 3.39Å
130K89.9Confident87.3Confident111 Ų11144.2 Ų44.248%0.48325%0.252SS..Hα-helixtrans-59.1-41.3177.3-63.1-179.6179-174.10112.2F18 Y127 L132 D133 S134F18-K130 HydrophobicContact CE1-CB 4.39Å; F18-K130 HydrophobicContact CZ-CB 4.04Å; Y127-K130 HydrophobicContact CD2-CD 4.4Å; Y127-K130 WeakPolarHBondContact O-CB 3.37Å; Y127-K130 PolarHBondContact O-N 3.28Å; K130-L132 VanDerWaalsContact C-N 3.34Å; K130-D133 PolarHBondContact O-N 3.45Å; K130-S134 PolarHBondContact O-N 3.21Å
131V88.8Confident86.8Confident17 Ų1750.2 Ų50.210%0.10328%0.281CS..Hα-helixtrans-62.7-44.5174.7176.30000110.1F18 L19 Y127 T128 K129 D133 S134 M135F18-V131 HydrophobicContact CD1-CG2 4.34Å; F18-V131 HydrophobicContact CE1-CG2 4.08Å; L19-V131 HydrophobicContact CD2-CG2 3.86Å; Y127-V131 HydrophobicContact CD1-CG2 3.83Å; Y127-V131 HydrophobicContact CE1-CG2 3.65Å; Y127-V131 PolarHBondContact O-N 3.48Å; T128-V131 PolarHBondContact O-N 3.39Å; K129-V131 VanDerWaalsContact C-N 3.3Å; K129-V131 PolarHBondContact O-N 2.85Å; V131-D133 VanDerWaalsContact C-N 3.32Å; V131-D133 PolarHBondContact O-N 3.05Å; V131-S134 WeakPolarHBondContact O-CB 3.48Å; V131-S134 PolarHBondContact O-N 3.17Å; V131-S134 VanDerWaalsContact O-N 3.15Å; V131-S134 PolarHBondContact O-OG 3.27Å; V131-M135 PolarHBondContact O-N 2.92Å
132L87.9Confident86.4Confident7 Ų756 Ų564%0.03731%0.305CS..Hα-helixtrans-67.8-33.6-179.2-158.456.5000112.4T128 K129 K130 S134 M135 G136 S139 L140 R144T128-L132 WeakPolarHBondContact O-CB 3.2Å; T128-L132 PolarHBondContact O-N 2.99Å; K129-L132 CarbonylContact O-C 3.4Å; K129-L132 WeakPolarHBondContact O-CB 3.26Å; K129-L132 PolarHBondContact O-N 3.36Å; K130-L132 VanDerWaalsContact C-N 3.34Å; L132-S134 VanDerWaalsContact C-N 3.28Å; L132-S134 PolarHBondContact O-N 3.29Å; L132-M135 HydrophobicContact CD1-SD 4.16Å; L132-M135 WeakPolarHBondContact O-CB 3.1Å; L132-M135 PolarHBondContact O-N 3.3Å; L132-M135 VanDerWaalsContact O-N 3.08Å; L132-G136 PolarHBondContact O-N 3.18Å; L132-S139 WeakPolarHBondContact CD1-OG 3.38Å; L132-S139 WeakPolarHBondContact CG-OG 3.35Å; L132-S139 PolarHBondContact O-OG 3.45Å; L132-L140 HydrophobicContact CD1-CB 4.08Å; L132-L140 HydrophobicContact CD1-CD1 3.9Å; L132-L140 HydrophobicContact CD1-CG 4.22Å; L132-L140 HydrophobicContact CD2-CB 4.26Å; L132-R144 HydrophobicContact CD2-CG 3.3Å; L132-R144 HydrophobicContact CG-CG 4.24Å; L132-R144 PolarHBondContact O-NH2 3.01Å
133D87Confident86.1Confident88 Ų8858.6 Ų58.647%0.47132%0.318SS..Hα-helixtrans-64.5-33.6173.4-64.3-25.4000111.7K129 K130 V131 M135 G136 R144K129-D133 PolarHBondContact O-N 3.4Å; K130-D133 PolarHBondContact O-N 3.45Å; V131-D133 VanDerWaalsContact C-N 3.32Å; V131-D133 PolarHBondContact O-N 3.05Å; D133-M135 VanDerWaalsContact C-N 3.25Å; D133-M135 PolarHBondContact O-N 2.85Å; D133-G136 PolarHBondContact O-N 3.44Å; D133-R144 IonicContact OD1-CZ 3.27Å; D133-R144 VanDerWaalsContact OD1-CZ 3.29Å; D133-R144 IonicContact OD1-NH1 2.72Å; D133-R144 PolarHBondContact OD1-NH1 2.88Å; D133-R144 IonicContact OD1-NH2 2.94Å; D133-R144 PolarHBondContact OD1-NH2 3.16Å
134S83.6Confident85.8Confident18 Ų1856.5 Ų56.513%0.12631%0.307CS..Hα-helixtrans-69.9-19.3172.177.30000114K130 V131 L132K130-S134 PolarHBondContact O-N 3.21Å; V131-S134 WeakPolarHBondContact O-CB 3.48Å; V131-S134 PolarHBondContact O-N 3.17Å; V131-S134 VanDerWaalsContact O-N 3.15Å; V131-S134 PolarHBondContact O-OG 3.27Å; L132-S134 VanDerWaalsContact C-N 3.28Å; L132-S134 PolarHBondContact O-N 3.29Å
135M81.8Confident85.6Confident103 Ų10361 Ų6151%0.50733%0.33SS..THydrogen-bonded Turntrans-89.3-8.8176.3-61.3179.974.700113.1P15 V131 L132 D133P15-M135 HydrophobicContact CB-CG 3.78Å; P15-M135 HydrophobicContact CB-SD 4.41Å; P15-M135 HydrophobicContact CG-CG 3.86Å; V131-M135 PolarHBondContact O-N 2.92Å; L132-M135 HydrophobicContact CD1-SD 4.16Å; L132-M135 WeakPolarHBondContact O-CB 3.1Å; L132-M135 PolarHBondContact O-N 3.3Å; L132-M135 VanDerWaalsContact O-N 3.08Å; D133-M135 VanDerWaalsContact C-N 3.25Å; D133-M135 PolarHBondContact O-N 2.85Å
136G80.8Confident85.4Confident9 Ų965 Ų659%0.09335%0.351CS..  trans107.8161.917900000114.4L132 D133 G138 S139 R144L132-G136 PolarHBondContact O-N 3.18Å; D133-G136 PolarHBondContact O-N 3.44Å; G136-G138 PolarHBondContact O-N 3.11Å; G136-S139 PolarHBondContact O-N 3.33Å; G136-S139 PolarHBondContact O-OG 3.01Å; G136-R144 PolarHBondContact O-NH2 3.24Å
137P72.3Confident85.3Confident114 Ų11462.9 Ų62.974%0.7434%0.338SS*.THydrogen-bonded Turntrans-67.7-26.9-164.4-20.733000115.3
138G71.4Confident85.3Confident53 Ų5366.2 Ų66.255%0.54636%0.356SS..THydrogen-bonded Turntrans-97.81.6-176.500000115.1G136 L140G136-G138 PolarHBondContact O-N 3.11Å; G138-L140 PolarHBondContact O-N 2.7Å
139S75.1Confident85.3Confident24 Ų2473.3 Ų73.317%0.16838%0.379CS..THydrogen-bonded Turntrans-70.2130-177.757.10000111.2L132 G136 M141 R144L132-S139 WeakPolarHBondContact CD1-OG 3.38Å; L132-S139 WeakPolarHBondContact CG-OG 3.35Å; L132-S139 PolarHBondContact O-OG 3.45Å; G136-S139 PolarHBondContact O-N 3.33Å; G136-S139 PolarHBondContact O-OG 3.01Å; S139-M141 PolarHBondContact O-N 3.24Å; S139-R144 WeakPolarHBondContact O-CD 3.46Å; S139-R144 PolarHBondContact O-NE 2.92Å; S139-R144 VanDerWaalsContact O-NE 3.1Å
140L83.1Confident85.3Confident102 Ų10273.6 Ų73.653%0.53438%0.382SS..THydrogen-bonded Turntrans4753.3172.9-55169.2000113.7L132 G138 F142 I143 R144L132-L140 HydrophobicContact CD1-CB 4.08Å; L132-L140 HydrophobicContact CD1-CD1 3.9Å; L132-L140 HydrophobicContact CD1-CG 4.22Å; L132-L140 HydrophobicContact CD2-CB 4.26Å; G138-L140 PolarHBondContact O-N 2.7Å; L140-F142 PolarHBondContact O-N 3.07Å; L140-F142 VanDerWaalsContact O-N 3.1Å; L140-I143 HydrophobicContact CB-CB 4.06Å; L140-I143 HydrophobicContact CB-CD1 4.02Å; L140-I143 HydrophobicContact CB-CG1 4.13Å; L140-I143 HydrophobicContact CD1-CD1 3.89Å; L140-I143 HydrophobicContact CD2-CD1 4.41Å; L140-I143 HydrophobicContact CG-CD1 4.32Å; L140-I143 WeakPolarHBondContact O-CA 3.22Å; L140-I143 WeakPolarHBondContact O-CB 3.5Å; L140-I143 PolarHBondContact O-N 2.82Å; L140-R144 PolarHBondContact O-N 2.93Å
141M84.3Confident85.3Confident128 Ų12870.5 Ų70.563%0.63137%0.372SS*.Hα-helixtrans-51.3-36.6-177.5-72.2-166.9-80.100114S139 I143 R144 N145S139-M141 PolarHBondContact O-N 3.24Å; M141-I143 PolarHBondContact O-N 2.88Å; M141-R144 WeakPolarHBondContact O-CB 3.25Å; M141-R144 PolarHBondContact O-N 3.45Å; M141-N145 VanDerWaalsContact O-CG 3.26Å; M141-N145 PolarHBondContact O-N 3.19Å; M141-N145 PolarHBondContact O-ND2 3.44Å
142F88.1Confident85.6Confident164 Ų16473.6 Ų73.672%0.71940%0.4SS*.Hα-helixtrans-60.1-44.9174.6177.7-99.5000112.3L140 N145 L146L140-F142 PolarHBondContact O-N 3.07Å; L140-F142 VanDerWaalsContact O-N 3.1Å; F142-N145 PolarHBondContact O-N 3.25Å; F142-L146 PolarHBondContact O-N 3.42Å; F142-L146 VanDerWaalsContact O-N 3.16Å
143I87.6Confident85.8Confident64 Ų6477 Ų7733%0.32842%0.418SS..Hα-helixtrans-66.3-43.9177.3-59.4-176.2000109.5L140 M141 N145 L146 L147L140-I143 HydrophobicContact CB-CB 4.06Å; L140-I143 HydrophobicContact CB-CD1 4.02Å; L140-I143 HydrophobicContact CB-CG1 4.13Å; L140-I143 HydrophobicContact CD1-CD1 3.89Å; L140-I143 HydrophobicContact CD2-CD1 4.41Å; L140-I143 HydrophobicContact CG-CD1 4.32Å; L140-I143 WeakPolarHBondContact O-CA 3.22Å; L140-I143 WeakPolarHBondContact O-CB 3.5Å; L140-I143 PolarHBondContact O-N 2.82Å; M141-I143 PolarHBondContact O-N 2.88Å; I143-N145 VanDerWaalsContact C-N 3.33Å; I143-N145 PolarHBondContact O-N 3.4Å; I143-L146 WeakPolarHBondContact O-CB 3.05Å; I143-L146 PolarHBondContact O-N 3.5Å; I143-L146 VanDerWaalsContact O-N 3.12Å; I143-L147 HydrophobicContact CG2-CD1 3.82Å; I143-L147 HydrophobicContact CG2-CG 4Å; I143-L147 VanDerWaalsContact O-CG 3.22Å; I143-L147 WeakPolarHBondContact O-CG 3.4Å; I143-L147 PolarHBondContact O-N 2.89Å
144R87.1Confident86.1Confident40 Ų4076.2 Ų76.215%0.15141%0.412CS..Hα-helixtrans-52.1-51.5175.1-70.8180168.3-89.42111.6L132 D133 G136 S139 L140 M141 L146 L147 D148L132-R144 HydrophobicContact CD2-CG 3.3Å; L132-R144 HydrophobicContact CG-CG 4.24Å; L132-R144 PolarHBondContact O-NH2 3.01Å; D133-R144 IonicContact OD1-CZ 3.27Å; D133-R144 VanDerWaalsContact OD1-CZ 3.29Å; D133-R144 IonicContact OD1-NH1 2.72Å; D133-R144 PolarHBondContact OD1-NH1 2.88Å; D133-R144 IonicContact OD1-NH2 2.94Å; D133-R144 PolarHBondContact OD1-NH2 3.16Å; G136-R144 PolarHBondContact O-NH2 3.24Å; S139-R144 WeakPolarHBondContact O-CD 3.46Å; S139-R144 PolarHBondContact O-NE 2.92Å; S139-R144 VanDerWaalsContact O-NE 3.1Å; L140-R144 PolarHBondContact O-N 2.93Å; M141-R144 WeakPolarHBondContact O-CB 3.25Å; M141-R144 PolarHBondContact O-N 3.45Å; R144-L146 VanDerWaalsContact C-N 3.3Å; R144-L146 PolarHBondContact O-N 3.02Å; R144-L147 CarbonylContact O-C 3.58Å; R144-L147 PolarHBondContact O-N 3.26Å; R144-L147 VanDerWaalsContact O-N 3.11Å; R144-D148 WeakPolarHBondContact O-CB 3.05Å; R144-D148 VanDerWaalsContact O-CG 3.24Å; R144-D148 PolarHBondContact O-N 3.27Å
145N89.3Confident86.4Confident96 Ų9681.5 Ų81.551%0.51343%0.434SS..Hα-helixtrans-58.3-40.7179.2-70.2-17.7000112.6M141 F142 I143 D148 R149M141-N145 VanDerWaalsContact O-CG 3.26Å; M141-N145 PolarHBondContact O-N 3.19Å; M141-N145 PolarHBondContact O-ND2 3.44Å; F142-N145 PolarHBondContact O-N 3.25Å; I143-N145 VanDerWaalsContact C-N 3.33Å; I143-N145 PolarHBondContact O-N 3.4Å; N145-D148 PolarHBondContact O-N 3.42Å; N145-R149 WeakPolarHBondContact O-CG 3.42Å; N145-R149 PolarHBondContact O-N 3.37Å
146L89.1Confident86.9Confident89 Ų8981.4 Ų81.447%0.46644%0.436SS..Hα-helixtrans-64.7-47175.6179.864.4000111.6F142 I143 R144 D148 R149 L150F142-L146 PolarHBondContact O-N 3.42Å; F142-L146 VanDerWaalsContact O-N 3.16Å; I143-L146 WeakPolarHBondContact O-CB 3.05Å; I143-L146 PolarHBondContact O-N 3.5Å; I143-L146 VanDerWaalsContact O-N 3.12Å; R144-L146 VanDerWaalsContact C-N 3.3Å; R144-L146 PolarHBondContact O-N 3.02Å; L146-D148 VanDerWaalsContact C-N 3.28Å; L146-D148 PolarHBondContact O-N 3.37Å; L146-R149 PolarHBondContact O-N 2.77Å; L146-L150 HydrophobicContact CG-CD1 4.42Å; L146-L150 WeakPolarHBondContact O-CG 3.32Å; L146-L150 PolarHBondContact O-N 2.93Å
147L91.2Very high87.5Confident14 Ų1482.2 Ų82.27%0.07344%0.438CS..Hα-helixtrans-62.9-35.9178.4-62.9179.1000111.4T125 T128 K129 I143 R144 T151T125-L147 HydrophobicContact CG2-CB 3.76Å; T125-L147 HydrophobicContact CG2-CD2 3.55Å; T125-L147 HydrophobicContact CG2-CG 4.18Å; T128-L147 HydrophobicContact CG2-CD1 3.81Å; K129-L147 HydrophobicContact CD-CB 4.31Å; K129-L147 VanDerWaalsContact CE-O 3.25Å; K129-L147 WeakPolarHBondContact CE-O 3.28Å; K129-L147 HydrophobicContact CG-CB 3.94Å; K129-L147 HydrophobicContact CG-CD1 3.79Å; K129-L147 HydrophobicContact CG-CG 4.5Å; K129-L147 PolarHBondContact NZ-O 3.16Å; I143-L147 HydrophobicContact CG2-CD1 3.82Å; I143-L147 HydrophobicContact CG2-CG 4Å; I143-L147 VanDerWaalsContact O-CG 3.22Å; I143-L147 WeakPolarHBondContact O-CG 3.4Å; I143-L147 PolarHBondContact O-N 2.89Å; R144-L147 CarbonylContact O-C 3.58Å; R144-L147 PolarHBondContact O-N 3.26Å; R144-L147 VanDerWaalsContact O-N 3.11Å; L147-T151 WeakPolarHBondContact O-CB 3.41Å; L147-T151 PolarHBondContact O-N 2.94Å; L147-T151 PolarHBondContact O-OG1 3.38Å
148D90.9Very high88.5Confident79 Ų7977.7 Ų77.742%0.42241%0.407SS..Hα-helixtrans-66.3-46175.2-70.3-28.9000111.8K129 R144 N145 L146 L150 T151 A152K129-D148 VanDerWaalsContact CE-OD1 3.26Å; K129-D148 WeakPolarHBondContact CE-OD1 3.34Å; K129-D148 IonicContact NZ-OD1 2.9Å; K129-D148 PolarHBondContact NZ-OD1 2.96Å; R144-D148 WeakPolarHBondContact O-CB 3.05Å; R144-D148 VanDerWaalsContact O-CG 3.24Å; R144-D148 PolarHBondContact O-N 3.27Å; N145-D148 PolarHBondContact O-N 3.42Å; L146-D148 VanDerWaalsContact C-N 3.28Å; L146-D148 PolarHBondContact O-N 3.37Å; D148-L150 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 2.85Å; D148-T151 PolarHBondContact O-N 3.27Å; D148-A152 WeakPolarHBondContact O-CB 3.3Å; D148-A152 PolarHBondContact O-N 3.17Å
149R91.3Very high89.4Confident184 Ų18478.4 Ų78.469%0.69440%0.395SS*.Hα-helixtrans-60.8-40.4174.2-72.6178.6-176.8-162.31.9112.9N145 L146 N153N145-R149 WeakPolarHBondContact O-CG 3.42Å; N145-R149 PolarHBondContact O-N 3.37Å; L146-R149 PolarHBondContact O-N 2.77Å; R149-N153 PolarHBondContact O-N 2.93Å; R149-N153 PolarHBondContact O-ND2 3.46Å
150L91.3Very high90.3Very high41 Ų4182.4 Ų82.422%0.21541%0.41CS..Hα-helixtrans-64.9-41.7176.1-75.1172.1000111.6T125 L146 D148 N153 Q154 I157T125-L150 HydrophobicContact CG2-CB 4.28Å; L146-L150 HydrophobicContact CG-CD1 4.42Å; L146-L150 WeakPolarHBondContact O-CG 3.32Å; L146-L150 PolarHBondContact O-N 2.93Å; D148-L150 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 2.85Å; L150-N153 PolarHBondContact O-N 2.9Å; L150-Q154 PolarHBondContact O-N 2.94Å; L150-I157 HydrophobicContact CD2-CD1 4.49Å
151T90.7Very high90.8Very high46 Ų4677.6 Ų77.628%0.28239%0.385SS..Hα-helixtrans-70.4-38.4178.8-52.70000111.5K129 L147 D148 N153 Q154K129-T151 WeakPolarHBondContact CE-OG1 2.96Å; K129-T151 PolarHBondContact NZ-OG1 3.39Å; L147-T151 WeakPolarHBondContact O-CB 3.41Å; L147-T151 PolarHBondContact O-N 2.94Å; L147-T151 PolarHBondContact O-OG1 3.38Å; D148-T151 PolarHBondContact O-N 3.27Å; T151-N153 PolarHBondContact O-N 3.41Å; T151-Q154 WeakPolarHBondContact O-CB 3.33Å; T151-Q154 PolarHBondContact O-N 3.26Å; T151-Q154 VanDerWaalsContact O-N 3.09Å
152A93.1Very high91.2Very high83 Ų8371.5 Ų71.569%0.68636%0.355SS*.Hα-helixtrans-60.5-34.6175.400000112D148 Q154D148-A152 WeakPolarHBondContact O-CB 3.3Å; D148-A152 PolarHBondContact O-N 3.17Å; A152-Q154 VanDerWaalsContact C-N 3.35Å
153N93.2Very high91.5Very high77 Ų7765.4 Ų65.441%0.41233%0.332SS..THydrogen-bonded Turntrans-9111.4177.3-71.7-61.7000114R149 L150 T151 Q155 N156 I157R149-N153 PolarHBondContact O-N 2.93Å; R149-N153 PolarHBondContact O-ND2 3.46Å; L150-N153 PolarHBondContact O-N 2.9Å; T151-N153 PolarHBondContact O-N 3.41Å; N153-Q155 VanDerWaalsContact C-N 3.28Å; N153-Q155 PolarHBondContact O-N 2.95Å; N153-N156 PolarHBondContact O-N 2.96Å; N153-N156 VanDerWaalsContact O-N 3.1Å; N153-I157 HydrophobicContact CB-CD1 4.38Å; N153-I157 WeakPolarHBondContact O-CG1 3.31Å; N153-I157 PolarHBondContact O-N 3.46Å
154Q92.2Very high91.8Very high73 Ų7362.6 Ų62.634%0.34132%0.318SS..Hα-helixtrans-54.6-42.4-174.9-179.8-178.4-62.900112.7L122 L150 T151 A152 N156 I157 L158L122-Q154 HydrophobicContact CD1-CG 4.18Å; L122-Q154 HydrophobicContact CD2-CB 4.24Å; L122-Q154 HydrophobicContact CD2-CG 4.09Å; L150-Q154 PolarHBondContact O-N 2.94Å; T151-Q154 WeakPolarHBondContact O-CB 3.33Å; T151-Q154 PolarHBondContact O-N 3.26Å; T151-Q154 VanDerWaalsContact O-N 3.09Å; A152-Q154 VanDerWaalsContact C-N 3.35Å; Q154-N156 PolarHBondContact O-N 2.79Å; Q154-I157 PolarHBondContact O-N 2.52Å; Q154-L158 HydrophobicContact CG-CD1 3.9Å; Q154-L158 HydrophobicContact CG-CG 4.34Å; Q154-L158 VanDerWaalsContact O-CG 3.28Å; Q154-L158 WeakPolarHBondContact O-CG 3.34Å; Q154-L158 PolarHBondContact O-N 2.94Å
155Q91.4Very high92.1Very high128 Ų12860.7 Ų60.760%0.59831%0.311SS*.Hα-helixtrans-63.4-43.1180-65.2-173.7-13.700112.2N153 I157 L158 K159N153-Q155 VanDerWaalsContact C-N 3.28Å; N153-Q155 PolarHBondContact O-N 2.95Å; Q155-I157 VanDerWaalsContact C-N 3.33Å; Q155-I157 PolarHBondContact O-N 3.11Å; Q155-L158 PolarHBondContact O-N 2.92Å; Q155-K159 WeakPolarHBondContact O-CG 3.38Å; Q155-K159 PolarHBondContact O-N 3.23Å
156N91.8Very high92.3Very high101 Ų10156.9 Ų56.954%0.5429%0.29SS..Hα-helixtrans-64-40.8177.2-67.6-27.4000111.1N153 Q154 K159 F160N153-N156 PolarHBondContact O-N 2.96Å; N153-N156 VanDerWaalsContact O-N 3.1Å; Q154-N156 PolarHBondContact O-N 2.79Å; N156-K159 PolarHBondContact O-N 3.16Å; N156-F160 WeakPolarHBondContact O-CB 3.42Å; N156-F160 PolarHBondContact O-N 3.44Å
157I93.4Very high92.5Very high27 Ų2757.5 Ų57.514%0.13829%0.289CS..Hα-helixtrans-63-45.5175.8-65.5165.6000110.4L118 L122 L150 N153 Q154 Q155 K159 F160 I161L118-I157 HydrophobicContact CB-CG2 3.92Å; L118-I157 HydrophobicContact CD1-CG2 4.24Å; L118-I157 HydrophobicContact CD2-CG2 4.11Å; L118-I157 HydrophobicContact CG-CG2 4.31Å; L122-I157 HydrophobicContact CD1-CB 4.21Å; L122-I157 HydrophobicContact CD1-CG2 3.64Å; L122-I157 HydrophobicContact CD2-CD1 3.83Å; L122-I157 HydrophobicContact CD2-CG2 4.42Å; L122-I157 HydrophobicContact CG-CG2 4.06Å; L150-I157 HydrophobicContact CD2-CD1 4.49Å; N153-I157 HydrophobicContact CB-CD1 4.38Å; N153-I157 WeakPolarHBondContact O-CG1 3.31Å; N153-I157 PolarHBondContact O-N 3.46Å; Q154-I157 PolarHBondContact O-N 2.52Å; Q155-I157 VanDerWaalsContact C-N 3.33Å; Q155-I157 PolarHBondContact O-N 3.11Å; I157-K159 PolarHBondContact O-N 3.05Å; I157-F160 WeakPolarHBondContact O-CB 3.34Å; I157-F160 PolarHBondContact O-N 3.35Å; I157-F160 VanDerWaalsContact O-N 3.16Å; I157-I161 HydrophobicContact CG2-CD1 4.13Å; I157-I161 HydrophobicContact CG2-CG1 4.49Å; I157-I161 VanDerWaalsContact O-CG1 3.3Å; I157-I161 WeakPolarHBondContact O-CG1 3.3Å; I157-I161 PolarHBondContact O-N 3.24Å
158L92.3Very high92.6Very high18 Ų1856.8 Ų56.89%0.09429%0.286CS..Hα-helixtrans-64.5-38.6178.6-69.7170.8000112.4F119 L122 Q154 Q155 I161 A162 Y204F119-L158 HydrophobicContact CD1-CD2 4.36Å; F119-L158 HydrophobicContact CE1-CD2 3.49Å; F119-L158 VanDerWaalsContact CE1-CD2 3.49Å; F119-L158 HydrophobicContact CZ-CD2 3.7Å; L122-L158 HydrophobicContact CD1-CD2 4.08Å; L122-L158 HydrophobicContact CD1-CG 4.25Å; Q154-L158 HydrophobicContact CG-CD1 3.9Å; Q154-L158 HydrophobicContact CG-CG 4.34Å; Q154-L158 VanDerWaalsContact O-CG 3.28Å; Q154-L158 WeakPolarHBondContact O-CG 3.34Å; Q154-L158 PolarHBondContact O-N 2.94Å; Q155-L158 PolarHBondContact O-N 2.92Å; L158-I161 HydrophobicContact CD2-CD1 4.32Å; L158-I161 PolarHBondContact O-N 2.85Å; L158-A162 WeakPolarHBondContact O-CB 3.17Å; L158-A162 PolarHBondContact O-N 3.27Å; L158-Y204 HydrophobicContact CB-CD1 4.49Å; L158-Y204 HydrophobicContact CB-CD2 3.78Å; L158-Y204 HydrophobicContact CB-CE1 4.5Å; L158-Y204 HydrophobicContact CB-CE2 3.83Å; L158-Y204 HydrophobicContact CB-CG 4.15Å; L158-Y204 HydrophobicContact CD1-CD2 4.15Å; L158-Y204 HydrophobicContact CD1-CE2 3.47Å; L158-Y204 VanDerWaalsContact CD1-CE2 3.47Å; L158-Y204 HydrophobicContact CG-CD2 4.49Å; L158-Y204 HydrophobicContact CG-CE2 4.24Å
159K91.9Very high92.7Very high68 Ų6855 Ų5530%0.29628%0.275SS..Hα-helixtrans-61.9-45.1170.5-74.3-166.8177.6-152.10111.1Q155 N156 I157 I161 A162 C163 Y204 L208 E211Q155-K159 WeakPolarHBondContact O-CG 3.38Å; Q155-K159 PolarHBondContact O-N 3.23Å; N156-K159 PolarHBondContact O-N 3.16Å; I157-K159 PolarHBondContact O-N 3.05Å; K159-I161 VanDerWaalsContact C-N 3.31Å; K159-I161 PolarHBondContact O-N 2.89Å; K159-A162 PolarHBondContact O-N 3.26Å; K159-C163 VanDerWaalsContact O-CB 3.29Å; K159-C163 WeakPolarHBondContact O-CB 3.46Å; K159-C163 PolarHBondContact O-N 3.29Å; K159-Y204 HydrophobicContact CG-CD1 3.91Å; K159-Y204 HydrophobicContact CG-CE1 4.42Å; K159-L208 HydrophobicContact CB-CD1 4.25Å; K159-L208 WeakPolarHBondContact O-CD1 3.35Å; K159-E211 IonicContact NZ-OE1 2.93Å; K159-E211 PolarHBondContact NZ-OE1 3.37Å; K159-E211 IonicContact NZ-OE2 3.54Å; K159-E211 PolarHBondContact NZ-OE2 3.36Å
160F93.1Very high92.7Very high108 Ų10849 Ų4947%0.47426%0.26SS..Hα-helixtrans-60.5-41.3177.1-179.2-94.4000112.3F114 L118 N156 I157 C163 N164F114-F160 HydrophobicContact CB-CE1 4.44Å; F114-F160 HydrophobicContact CD1-CE1 4.21Å; L118-F160 HydrophobicContact CD1-CD1 3.43Å; L118-F160 VanDerWaalsContact CD1-CD1 3.43Å; L118-F160 HydrophobicContact CD1-CE1 3.81Å; N156-F160 WeakPolarHBondContact O-CB 3.42Å; N156-F160 PolarHBondContact O-N 3.44Å; I157-F160 WeakPolarHBondContact O-CB 3.34Å; I157-F160 PolarHBondContact O-N 3.35Å; I157-F160 VanDerWaalsContact O-N 3.16Å; F160-C163 WeakPolarHBondContact O-CB 3.29Å; F160-C163 PolarHBondContact O-N 2.89Å; F160-N164 WeakPolarHBondContact O-CB 3.44Å; F160-N164 PolarHBondContact O-N 2.81Å
161I94Very high92.7Very high1 Ų148.6 Ų48.61%0.00526%0.262CS..Hα-helixtrans-61-50.8175-65167.5000110.9Y96 P115 L118 F119 I157 L158 K159 C163 N164 E165Y96-I161 WeakPolarHBondContact OH-CG2 3.37Å; P115-I161 HydrophobicContact CB-CG2 3.66Å; P115-I161 HydrophobicContact CG-CG2 4.2Å; L118-I161 HydrophobicContact CB-CD1 3.54Å; L118-I161 HydrophobicContact CB-CG1 3.68Å; L118-I161 HydrophobicContact CD1-CD1 4.45Å; L118-I161 HydrophobicContact CD1-CG1 3.69Å; L118-I161 HydrophobicContact CG-CG1 4.35Å; F119-I161 HydrophobicContact CD1-CD1 4.44Å; F119-I161 HydrophobicContact CD2-CD1 3.65Å; F119-I161 HydrophobicContact CD2-CG2 3.9Å; F119-I161 HydrophobicContact CE2-CB 4.28Å; F119-I161 HydrophobicContact CE2-CD1 3.72Å; F119-I161 HydrophobicContact CE2-CG2 3.45Å; F119-I161 VanDerWaalsContact CE2-CG2 3.45Å; F119-I161 HydrophobicContact CG-CD1 4.03Å; F119-I161 HydrophobicContact CZ-CD1 4.16Å; F119-I161 HydrophobicContact CZ-CG2 4.4Å; I157-I161 HydrophobicContact CG2-CD1 4.13Å; I157-I161 HydrophobicContact CG2-CG1 4.49Å; I157-I161 VanDerWaalsContact O-CG1 3.3Å; I157-I161 WeakPolarHBondContact O-CG1 3.3Å; I157-I161 PolarHBondContact O-N 3.24Å; L158-I161 HydrophobicContact CD2-CD1 4.32Å; L158-I161 PolarHBondContact O-N 2.85Å; K159-I161 VanDerWaalsContact C-N 3.31Å; K159-I161 PolarHBondContact O-N 2.89Å; I161-C163 VanDerWaalsContact C-N 3.27Å; I161-C163 PolarHBondContact O-N 3.39Å; I161-N164 WeakPolarHBondContact O-CB 3.37Å; I161-N164 PolarHBondContact O-N 3.31Å; I161-N164 VanDerWaalsContact O-N 3.12Å; I161-E165 HydrophobicContact CG2-CG 4.3Å; I161-E165 WeakPolarHBondContact O-CG 3.44Å; I161-E165 PolarHBondContact O-N 2.96Å
162A93.1Very high92.8Very high1 Ų146.4 Ų46.41%0.00825%0.249CC..Hα-helixtrans-62.4-36179.900000112.1L158 K159 E165 I166 C205 L208L158-A162 WeakPolarHBondContact O-CB 3.17Å; L158-A162 PolarHBondContact O-N 3.27Å; K159-A162 PolarHBondContact O-N 3.26Å; A162-E165 PolarHBondContact O-N 3.49Å; A162-I166 VanDerWaalsContact O-CG1 3.24Å; A162-I166 WeakPolarHBondContact O-CG1 3.48Å; A162-I166 PolarHBondContact O-N 3.16Å; A162-C205 HydrophobicContact CB-CB 4.44Å; A162-L208 HydrophobicContact CB-CD1 3.6Å
163C93Very high92.7Very high36 Ų3644.8 Ų44.824%0.24323%0.231CC..Hα-helixtrans-60.7-48.2171.9-176.80000111.4K159 F160 I161 E165 I166 F167 L208K159-C163 VanDerWaalsContact O-CB 3.29Å; K159-C163 WeakPolarHBondContact O-CB 3.46Å; K159-C163 PolarHBondContact O-N 3.29Å; F160-C163 WeakPolarHBondContact O-CB 3.29Å; F160-C163 PolarHBondContact O-N 2.89Å; I161-C163 VanDerWaalsContact C-N 3.27Å; I161-C163 PolarHBondContact O-N 3.39Å; C163-E165 PolarHBondContact O-N 2.93Å; C163-I166 PolarHBondContact O-N 3.27Å; C163-F167 VanDerWaalsContact O-CD2 3.24Å; C163-F167 WeakPolarHBondContact O-CD2 3.49Å; C163-F167 PolarHBondContact O-N 3.4Å; C163-F167 VanDerWaalsContact SG-CD2 3.52Å; C163-F167 WeakPolarHBondContact SG-CE2 3.38Å; C163-L208 HydrophobicContact CB-CD1 4.07Å
164N94.3Very high92.6Very high5 Ų548 Ų483%0.02724%0.241CC..Hα-helixtrans-60.8-43.5175.9-179.9-79.1000112.1M111 P115 F160 I161 I166 F167 L168M111-N164 VanDerWaalsContact CE-ND2 3.35Å; M111-N164 WeakPolarHBondContact CE-ND2 2.98Å; M111-N164 PolarHBondContact O-ND2 2.81Å; M111-N164 PolarHBondContact O-OD1 3.26Å; P115-N164 WeakPolarHBondContact CD-OD1 3.38Å; P115-N164 HydrophobicContact CG-CB 4.38Å; P115-N164 WeakPolarHBondContact CG-OD1 3.13Å; F160-N164 WeakPolarHBondContact O-CB 3.44Å; F160-N164 PolarHBondContact O-N 2.81Å; I161-N164 WeakPolarHBondContact O-CB 3.37Å; I161-N164 PolarHBondContact O-N 3.31Å; I161-N164 VanDerWaalsContact O-N 3.12Å; N164-I166 VanDerWaalsContact C-N 3.29Å; N164-I166 PolarHBondContact O-N 3Å; N164-F167 PolarHBondContact O-N 3.11Å; N164-L168 WeakPolarHBondContact O-CB 3.42Å; N164-L168 PolarHBondContact O-N 2.89Å
165E93.8Very high92.5Very high0 Ų045.8 Ų45.80%023%0.231CC..Hα-helixtrans-57-41.9175.3-71.8174.6-169.200111.6Y96 P115 I161 A162 C163 Y189 F192 R196Y96-E165 PolarHBondContact OH-OE1 3.47Å; P115-E165 HydrophobicContact CG-CG 4.3Å; I161-E165 HydrophobicContact CG2-CG 4.3Å; I161-E165 WeakPolarHBondContact O-CG 3.44Å; I161-E165 PolarHBondContact O-N 2.96Å; A162-E165 PolarHBondContact O-N 3.49Å; C163-E165 PolarHBondContact O-N 2.93Å; E165-Y189 WeakPolarHBondContact CA-OH 3.38Å; E165-Y189 WeakPolarHBondContact O-CE1 3.04Å; E165-Y189 PolarHBondContact O-OH 3.12Å; E165-F192 HydrophobicContact CG-CE1 4.43Å; E165-R196 IonicContact OE1-CZ 3.5Å; E165-R196 IonicContact OE1-NE 3.61Å; E165-R196 PolarHBondContact OE1-NE 3.36Å; E165-R196 IonicContact OE1-NH2 2.77Å; E165-R196 PolarHBondContact OE1-NH2 3.47Å; E165-R196 IonicContact OE2-CZ 3.35Å; E165-R196 IonicContact OE2-NE 2.81Å; E165-R196 PolarHBondContact OE2-NE 3.16Å; E165-R196 IonicContact OE2-NH2 3.73Å; E165-R196 PolarHBondContact OE2-NH2 2.89Å
166I93.2Very high92.4Very high15 Ų1541.8 Ų41.88%0.07721%0.214CC..Hα-helixtrans-67.8-49.7178.7-67.6167.9000110.9A162 C163 N164 L168 M169 P170 L193 L208 F209 L212A162-I166 VanDerWaalsContact O-CG1 3.24Å; A162-I166 WeakPolarHBondContact O-CG1 3.48Å; A162-I166 PolarHBondContact O-N 3.16Å; C163-I166 PolarHBondContact O-N 3.27Å; N164-I166 VanDerWaalsContact C-N 3.29Å; N164-I166 PolarHBondContact O-N 3Å; I166-L168 VanDerWaalsContact C-N 3.25Å; I166-L168 PolarHBondContact O-N 3.39Å; I166-M169 WeakPolarHBondContact O-CB 3.36Å; I166-M169 PolarHBondContact O-N 3.47Å; I166-P170 WeakPolarHBondContact O-CD 3.27Å; I166-L193 HydrophobicContact CG1-CD1 4.33Å; I166-L208 HydrophobicContact CD1-CB 3.92Å; I166-F209 HydrophobicContact CB-CZ 4.38Å; I166-F209 HydrophobicContact CD1-CD1 4.34Å; I166-F209 HydrophobicContact CD1-CD2 3.75Å; I166-F209 HydrophobicContact CD1-CE1 4.36Å; I166-F209 HydrophobicContact CD1-CE2 3.8Å; I166-F209 HydrophobicContact CD1-CG 4.06Å; I166-F209 HydrophobicContact CD1-CZ 4.12Å; I166-F209 HydrophobicContact CG1-CD2 4.11Å; I166-F209 HydrophobicContact CG1-CE1 4.26Å; I166-F209 HydrophobicContact CG1-CE2 3.6Å; I166-F209 HydrophobicContact CG1-CZ 3.7Å; I166-F209 HydrophobicContact CG2-CE1 3.86Å; I166-F209 HydrophobicContact CG2-CZ 3.96Å; I166-L212 HydrophobicContact CD1-CD1 4.29Å; I166-L212 HydrophobicContact CG2-CD1 4.28Å
167F93.1Very high92.3Very high102 Ų10245 Ų4545%0.44722%0.223SC..Hα-helixtrans-71.2-18.7-178-77.6-64.9000114C163 N164 M169 P170 A171C163-F167 VanDerWaalsContact O-CD2 3.24Å; C163-F167 WeakPolarHBondContact O-CD2 3.49Å; C163-F167 PolarHBondContact O-N 3.4Å; C163-F167 VanDerWaalsContact SG-CD2 3.52Å; C163-F167 WeakPolarHBondContact SG-CE2 3.38Å; N164-F167 PolarHBondContact O-N 3.11Å; F167-M169 PolarHBondContact O-N 3.3Å; F167-P170 VanDerWaalsContact O-CD 3.25Å; F167-P170 WeakPolarHBondContact O-CD 3.3Å; F167-P170 VanDerWaalsContact O-CG 3.28Å; F167-P170 WeakPolarHBondContact O-CG 3.44Å; F167-A171 PolarHBondContact O-N 3.29Å
168L93.1Very high92Very high0 Ų047.9 Ų47.90%025%0.246CC..Hα-helixtrans-65.9-28.7173.1-175.757.3000111.7Y99 I109 M111 N164 I166 A171 T172 Y189Y99-L168 HydrophobicContact CE2-CD2 4.11Å; Y99-L168 VanDerWaalsContact OH-CD2 3.24Å; Y99-L168 WeakPolarHBondContact OH-CD2 3.34Å; I109-L168 HydrophobicContact CD1-CD1 4.49Å; I109-L168 HydrophobicContact CG2-CD1 3.82Å; M111-L168 HydrophobicContact CB-CD1 4.3Å; N164-L168 WeakPolarHBondContact O-CB 3.42Å; N164-L168 PolarHBondContact O-N 2.89Å; I166-L168 VanDerWaalsContact C-N 3.25Å; I166-L168 PolarHBondContact O-N 3.39Å; L168-A171 HydrophobicContact CD1-CB 4.41Å; L168-A171 WeakPolarHBondContact O-CB 3.46Å; L168-A171 PolarHBondContact O-N 2.8Å; L168-T172 HydrophobicContact CD1-CG2 4.38Å; L168-T172 HydrophobicContact CG-CG2 4.32Å; L168-T172 VanDerWaalsContact O-CG2 3.27Å; L168-T172 WeakPolarHBondContact O-CG2 3.46Å; L168-T172 PolarHBondContact O-N 2.99Å; L168-Y189 HydrophobicContact CB-CE1 4.03Å; L168-Y189 WeakPolarHBondContact CB-OH 3.41Å; L168-Y189 HydrophobicContact CD2-CD2 4.47Å; L168-Y189 HydrophobicContact CD2-CE2 3.55Å; L168-Y189 WeakPolarHBondContact CD2-OH 3.23Å; L168-Y189 HydrophobicContact CG-CE1 4.15Å; L168-Y189 HydrophobicContact CG-CE2 3.96Å
169M93Very high91.5Very high42 Ų4250.2 Ų50.221%0.20727%0.274CS..Hα-helixtrans-58.7-58.3178.1-178.464.8-160.300113I166 F167 A171 T172 V173 P186 Y189 L193I166-M169 WeakPolarHBondContact O-CB 3.36Å; I166-M169 PolarHBondContact O-N 3.47Å; F167-M169 PolarHBondContact O-N 3.3Å; M169-A171 PolarHBondContact O-N 2.91Å; M169-T172 PolarHBondContact O-N 2.85Å; M169-T172 VanDerWaalsContact O-N 3.15Å; M169-T172 PolarHBondContact O-OG1 3.2Å; M169-V173 HydrophobicContact CE-CG2 4.19Å; M169-V173 PolarHBondContact O-N 3.25Å; M169-P186 HydrophobicContact CE-CB 4.29Å; M169-P186 WeakPolarHBondContact CE-O 3.45Å; M169-Y189 HydrophobicContact CB-CD1 4.02Å; M169-Y189 HydrophobicContact CB-CE1 3.99Å; M169-Y189 HydrophobicContact SD-CD1 3.75Å; M169-L193 HydrophobicContact CB-CD2 3.96Å; M169-L193 HydrophobicContact CG-CD2 4.37Å
170P92.1Very high90.9Very high57 Ų5751.9 Ų51.937%0.3728%0.283SS..Hα-helixtrans-61.3-33175.923.5-33000112.3I166 F167 T172 V173 F174I166-P170 WeakPolarHBondContact O-CD 3.27Å; F167-P170 VanDerWaalsContact O-CD 3.25Å; F167-P170 WeakPolarHBondContact O-CD 3.3Å; F167-P170 VanDerWaalsContact O-CG 3.28Å; F167-P170 WeakPolarHBondContact O-CG 3.44Å; P170-T172 PolarHBondContact O-N 3.47Å; P170-V173 WeakPolarHBondContact O-CB 3.06Å; P170-V173 PolarHBondContact O-N 2.94Å; P170-V173 VanDerWaalsContact O-N 3.17Å; P170-F174 HydrophobicContact CB-CE2 4.35Å; P170-F174 WeakPolarHBondContact O-CD2 3.43Å; P170-F174 PolarHBondContact O-N 3.41Å
171A91.6Very high90.2Very high32 Ų3247.6 Ų47.626%0.26427%0.269SS..Hα-helixtrans-61-41.6174.600000112.3F167 L168 M169 V173 F174 M175F167-A171 PolarHBondContact O-N 3.29Å; L168-A171 HydrophobicContact CD1-CB 4.41Å; L168-A171 WeakPolarHBondContact O-CB 3.46Å; L168-A171 PolarHBondContact O-N 2.8Å; M169-A171 PolarHBondContact O-N 2.91Å; A171-V173 VanDerWaalsContact C-N 3.27Å; A171-V173 PolarHBondContact O-N 3.2Å; A171-F174 PolarHBondContact O-N 3.06Å; A171-M175 WeakPolarHBondContact O-CG 3.35Å; A171-M175 PolarHBondContact O-N 3.38Å
172T91.8Very high89.7Confident0 Ų050.9 Ų50.90%029%0.292CS..Hα-helixtrans-63.3-33175.466.70000112.9L168 M169 P170 L176 L185 Y189L168-T172 HydrophobicContact CD1-CG2 4.38Å; L168-T172 HydrophobicContact CG-CG2 4.32Å; L168-T172 VanDerWaalsContact O-CG2 3.27Å; L168-T172 WeakPolarHBondContact O-CG2 3.46Å; L168-T172 PolarHBondContact O-N 2.99Å; M169-T172 PolarHBondContact O-N 2.85Å; M169-T172 VanDerWaalsContact O-N 3.15Å; M169-T172 PolarHBondContact O-OG1 3.2Å; P170-T172 PolarHBondContact O-N 3.47Å; T172-L176 PolarHBondContact O-N 2.9Å; T172-L176 VanDerWaalsContact O-N 3.14Å; T172-L185 HydrophobicContact CG2-CD2 4.25Å; T172-L185 HydrophobicContact CG2-CG 4.17Å; T172-Y189 HydrophobicContact CG2-CD1 4.43Å; T172-Y189 HydrophobicContact CG2-CG 4.22Å
173V92.1Very high89.5Confident50 Ų5056.3 Ų56.330%0.30332%0.32SS..Hα-helixtrans-69.5-44.8175.4175.70000110.7M169 P170 A171 M175 L176 F177 P186M169-V173 HydrophobicContact CE-CG2 4.19Å; M169-V173 PolarHBondContact O-N 3.25Å; P170-V173 WeakPolarHBondContact O-CB 3.06Å; P170-V173 PolarHBondContact O-N 2.94Å; P170-V173 VanDerWaalsContact O-N 3.17Å; A171-V173 VanDerWaalsContact C-N 3.27Å; A171-V173 PolarHBondContact O-N 3.2Å; V173-M175 VanDerWaalsContact C-N 3.33Å; V173-M175 PolarHBondContact O-N 3.13Å; V173-L176 WeakPolarHBondContact O-CB 3.26Å; V173-L176 PolarHBondContact O-N 2.98Å; V173-F177 HydrophobicContact CG1-CD2 4Å; V173-F177 HydrophobicContact CG1-CE2 3.58Å; V173-F177 WeakPolarHBondContact O-CD2 3.46Å; V173-F177 PolarHBondContact O-N 2.64Å; V173-P186 HydrophobicContact CG2-CB 4.03Å
174F91.3Very high89.2Confident144 Ų14459.6 Ų59.663%0.63234%0.335SS*.Hα-helixtrans-62.5-40.3175.2-71.4-60000112.2P170 A171 L176 F177 S178P170-F174 HydrophobicContact CB-CE2 4.35Å; P170-F174 WeakPolarHBondContact O-CD2 3.43Å; P170-F174 PolarHBondContact O-N 3.41Å; A171-F174 PolarHBondContact O-N 3.06Å; F174-L176 VanDerWaalsContact C-N 3.28Å; F174-L176 PolarHBondContact O-N 3.48Å; F174-F177 PolarHBondContact O-N 2.77Å; F174-S178 PolarHBondContact O-N 2.8Å; F174-S178 PolarHBondContact O-OG 3.48Å
175M88.4Confident89.1Confident27 Ų2759.7 Ų59.713%0.13334%0.336CS..Hα-helixtrans-62.3-35.2176.1-75.2-178.169.100113.3Y107 I109 A171 V173 S178 G179 Q180 G181Y107-M175 HydrophobicContact CD1-CE 4.03Å; I109-M175 HydrophobicContact CD1-CE 3.84Å; I109-M175 HydrophobicContact CD1-SD 3.4Å; I109-M175 WeakPolarHBondContact CD1-SD 3.42Å; I109-M175 HydrophobicContact CG1-CE 3.64Å; I109-M175 HydrophobicContact CG1-SD 3.52Å; I109-M175 VanDerWaalsContact CG1-SD 3.52Å; I109-M175 HydrophobicContact CG2-SD 4.43Å; A171-M175 WeakPolarHBondContact O-CG 3.35Å; A171-M175 PolarHBondContact O-N 3.38Å; V173-M175 VanDerWaalsContact C-N 3.33Å; V173-M175 PolarHBondContact O-N 3.13Å; M175-S178 PolarHBondContact O-N 3.32Å; M175-G179 PolarHBondContact O-N 3.47Å; M175-Q180 HydrophobicContact CE-CB 4.27Å; M175-Q180 PolarHBondContact O-N 3.26Å; M175-G181 PolarHBondContact O-N 3.42Å; M175-G181 VanDerWaalsContact O-N 3.15Å
176L90.5Very high89Confident44 Ų4460.1 Ų60.123%0.2334%0.338CS..Hα-helixtrans-60.7-48.3173.117459.5000110.8T172 V173 F174 S178 G179 L183 P186T172-L176 PolarHBondContact O-N 2.9Å; T172-L176 VanDerWaalsContact O-N 3.14Å; V173-L176 WeakPolarHBondContact O-CB 3.26Å; V173-L176 PolarHBondContact O-N 2.98Å; F174-L176 VanDerWaalsContact C-N 3.28Å; F174-L176 PolarHBondContact O-N 3.48Å; L176-S178 VanDerWaalsContact C-N 3.32Å; L176-S178 PolarHBondContact O-N 2.94Å; L176-G179 PolarHBondContact O-N 2.75Å; L176-G179 VanDerWaalsContact O-N 3.15Å; L176-L183 HydrophobicContact CD1-CB 4.38Å; L176-L183 HydrophobicContact CD1-CD1 4Å; L176-L183 HydrophobicContact CD2-CD1 4.04Å; L176-P186 HydrophobicContact CD2-CG 3.95Å
177F89.5Confident88.9Confident167 Ų16765.6 Ų65.673%0.73236%0.362SS*.Hα-helixtrans-67.7-30178.7-70.1-64.7000113.4V173 F174 G179V173-F177 HydrophobicContact CG1-CD2 4Å; V173-F177 HydrophobicContact CG1-CE2 3.58Å; V173-F177 WeakPolarHBondContact O-CD2 3.46Å; V173-F177 PolarHBondContact O-N 2.64Å; F174-F177 PolarHBondContact O-N 2.77Å; F177-G179 PolarHBondContact O-N 2.89Å
178S87.6Confident88.8Confident88 Ų8864.3 Ų64.362%0.61536%0.359SS*.THydrogen-bonded Turntrans-78.6-0.9174.1-58.60000114F174 M175 L176 Q180F174-S178 PolarHBondContact O-N 2.8Å; F174-S178 PolarHBondContact O-OG 3.48Å; M175-S178 PolarHBondContact O-N 3.32Å; L176-S178 VanDerWaalsContact C-N 3.32Å; L176-S178 PolarHBondContact O-N 2.94Å; S178-Q180 PolarHBondContact O-N 2.99Å
179G81.9Confident88.8Confident67 Ų6764.4 Ų64.469%0.69136%0.359SS*.THydrogen-bonded Turntrans73.39.1-179.400000115.1M175 L176 F177M175-G179 PolarHBondContact O-N 3.47Å; L176-G179 PolarHBondContact O-N 2.75Å; L176-G179 VanDerWaalsContact O-N 3.15Å; F177-G179 PolarHBondContact O-N 2.89Å
180Q79.4Confident88.8Confident104 Ų10465.4 Ų65.449%0.48636%0.361SS..  trans-96.5-4.8-179.3-64.5-163-20.400113.5Y107 M175 S178Y107-Q180 VanDerWaalsContact CB-O 3.25Å; Y107-Q180 WeakPolarHBondContact CB-O 3.35Å; M175-Q180 HydrophobicContact CE-CB 4.27Å; M175-Q180 PolarHBondContact O-N 3.26Å; S178-Q180 PolarHBondContact O-N 2.99Å
181G77.6Confident88.7Confident18 Ų1870.6 Ų70.619%0.18637%0.374CS..SBendtrans-118.5149.817900000112.7M175M175-G181 PolarHBondContact O-N 3.42Å; M175-G181 VanDerWaalsContact O-N 3.15Å
182S84.3Confident88.8Confident70 Ų7069.3 Ų69.349%0.4936%0.362SS..  trans-65.7145166.3174.70000110.5L184 L185S182-L184 PolarHBondContact O-N 3.49Å; S182-L184 VanDerWaalsContact O-N 3.15Å; S182-L184 PolarHBondContact OG-N 3.45Å; S182-L185 WeakPolarHBondContact O-CB 3.48Å; S182-L185 PolarHBondContact O-N 3.49Å; S182-L185 VanDerWaalsContact O-N 3.07Å
183L86.9Confident88.8Confident114 Ų11469.9 Ų69.960%0.59737%0.365SS*.THydrogen-bonded Turntrans-52.4-36.2174.9-174.669.7000112.5L176 P186 F187L176-L183 HydrophobicContact CD1-CB 4.38Å; L176-L183 HydrophobicContact CD1-CD1 4Å; L176-L183 HydrophobicContact CD2-CD1 4.04Å; L183-P186 WeakPolarHBondContact O-CD 3.48Å; L183-F187 VanDerWaalsContact O-CD2 3.22Å; L183-F187 WeakPolarHBondContact O-CD2 3.48Å; L183-F187 WeakPolarHBondContact O-CE2 3.42Å
184L88.8Confident88.7Confident106 Ų10668.8 Ų68.856%0.55536%0.359SS*.THydrogen-bonded Turntrans-79.3-19.6-176.3-63.1178.6000113.5S182 F187 I188S182-L184 PolarHBondContact O-N 3.49Å; S182-L184 VanDerWaalsContact O-N 3.15Å; S182-L184 PolarHBondContact OG-N 3.45Å; L184-F187 PolarHBondContact O-N 3.47Å; L184-I188 HydrophobicContact CB-CD1 3.89Å; L184-I188 HydrophobicContact CB-CG1 4.43Å; L184-I188 VanDerWaalsContact O-CG1 3.31Å; L184-I188 WeakPolarHBondContact O-CG1 3.39Å; L184-I188 PolarHBondContact O-N 2.94Å
185L90.5Very high88.6Confident6 Ų663.9 Ų63.93%0.03134%0.339CS..Hα-helixtrans-54.4-53.6-174.6179.461.8000113.4I102 L103 I109 T172 S182 F187 I188 Y189I102-L185 HydrophobicContact CG2-CD1 3.67Å; L103-L185 HydrophobicContact CD2-CD1 4.32Å; I109-L185 HydrophobicContact CD1-CD2 4.32Å; T172-L185 HydrophobicContact CG2-CD2 4.25Å; T172-L185 HydrophobicContact CG2-CG 4.17Å; S182-L185 WeakPolarHBondContact O-CB 3.48Å; S182-L185 PolarHBondContact O-N 3.49Å; S182-L185 VanDerWaalsContact O-N 3.07Å; L185-F187 VanDerWaalsContact C-N 3.29Å; L185-F187 PolarHBondContact O-N 2.9Å; L185-I188 PolarHBondContact O-N 3.16Å; L185-Y189 VanDerWaalsContact O-CB 3.23Å; L185-Y189 WeakPolarHBondContact O-CB 3.31Å; L185-Y189 PolarHBondContact O-N 3.5Å
186P91.7Very high88.6Confident9 Ų962.6 Ų62.66%0.05833%0.332CS..Hα-helixtrans-63.1-34.4-179.723.3-34000112.8M169 V173 L176 L183 Y190M169-P186 HydrophobicContact CE-CB 4.29Å; M169-P186 WeakPolarHBondContact CE-O 3.45Å; V173-P186 HydrophobicContact CG2-CB 4.03Å; L176-P186 HydrophobicContact CD2-CG 3.95Å; L183-P186 WeakPolarHBondContact O-CD 3.48Å; P186-Y190 VanDerWaalsContact O-CB 3.32Å; P186-Y190 WeakPolarHBondContact O-CB 3.5Å; P186-Y190 PolarHBondContact O-N 3.42Å
187F91.6Very high88.5Confident130 Ų13063.3 Ų63.357%0.5733%0.332SS*.Hα-helixtrans-69.4-44.7178.9-63.3-81.6000112.1L183 L184 L185 Y189 Y190 R191L183-F187 VanDerWaalsContact O-CD2 3.22Å; L183-F187 WeakPolarHBondContact O-CD2 3.48Å; L183-F187 WeakPolarHBondContact O-CE2 3.42Å; L184-F187 PolarHBondContact O-N 3.47Å; L185-F187 VanDerWaalsContact C-N 3.29Å; L185-F187 PolarHBondContact O-N 2.9Å; F187-Y189 VanDerWaalsContact C-N 3.35Å; F187-Y190 PolarHBondContact O-N 3.18Å; F187-R191 PolarHBondContact O-N 2.95Å
188I91.4Very high88.2Confident76 Ų7657.7 Ų57.739%0.3931%0.312SS..Hα-helixtrans-69.9-38.4178.8-56.2167.3000109.8I102 L184 L185 Y190 R191 F192I102-I188 HydrophobicContact CD1-CG2 3.48Å; I102-I188 VanDerWaalsContact CD1-CG2 3.48Å; I102-I188 HydrophobicContact CG1-CG2 3.58Å; I102-I188 HydrophobicContact CG2-CG2 4.39Å; L184-I188 HydrophobicContact CB-CD1 3.89Å; L184-I188 HydrophobicContact CB-CG1 4.43Å; L184-I188 VanDerWaalsContact O-CG1 3.31Å; L184-I188 WeakPolarHBondContact O-CG1 3.39Å; L184-I188 PolarHBondContact O-N 2.94Å; L185-I188 PolarHBondContact O-N 3.16Å; I188-Y190 PolarHBondContact O-N 3.08Å; I188-R191 WeakPolarHBondContact O-CB 3.28Å; I188-R191 PolarHBondContact O-N 2.87Å; I188-R191 VanDerWaalsContact O-N 3.16Å; I188-F192 PolarHBondContact O-N 3.49Å
189Y93.1Very high87.8Confident1 Ų153.6 Ų53.60%0.00428%0.283CS..Hα-helixtrans-64-39.3175.6-166.1-95.8000112.5Y99 E165 L168 M169 T172 L185 F187 R191 F192 L193Y99-Y189 HydrophobicContact CD2-CE2 4.07Å; Y99-Y189 AromaticContact CE2-CE2 3.65Å; Y99-Y189 HydrophobicContact CE2-CE2 3.65Å; E165-Y189 WeakPolarHBondContact CA-OH 3.38Å; E165-Y189 WeakPolarHBondContact O-CE1 3.04Å; E165-Y189 PolarHBondContact O-OH 3.12Å; L168-Y189 HydrophobicContact CB-CE1 4.03Å; L168-Y189 WeakPolarHBondContact CB-OH 3.41Å; L168-Y189 HydrophobicContact CD2-CD2 4.47Å; L168-Y189 HydrophobicContact CD2-CE2 3.55Å; L168-Y189 WeakPolarHBondContact CD2-OH 3.23Å; L168-Y189 HydrophobicContact CG-CE1 4.15Å; L168-Y189 HydrophobicContact CG-CE2 3.96Å; M169-Y189 HydrophobicContact CB-CD1 4.02Å; M169-Y189 HydrophobicContact CB-CE1 3.99Å; M169-Y189 HydrophobicContact SD-CD1 3.75Å; T172-Y189 HydrophobicContact CG2-CD1 4.43Å; T172-Y189 HydrophobicContact CG2-CG 4.22Å; L185-Y189 VanDerWaalsContact O-CB 3.23Å; L185-Y189 WeakPolarHBondContact O-CB 3.31Å; L185-Y189 PolarHBondContact O-N 3.5Å; F187-Y189 VanDerWaalsContact C-N 3.35Å; Y189-R191 VanDerWaalsContact C-N 3.29Å; Y189-R191 PolarHBondContact O-N 2.77Å; Y189-F192 HydrophobicContact CD2-CD1 4.24Å; Y189-F192 AromaticContact CE2-CD1 3.77Å; Y189-F192 HydrophobicContact CE2-CD1 3.77Å; Y189-F192 HydrophobicContact CE2-CE1 4.1Å; Y189-F192 AromaticContact CZ-CD1 3.94Å; Y189-F192 WeakPolarHBondContact O-CB 3.12Å; Y189-F192 PolarHBondContact O-N 2.9Å; Y189-L193 PolarHBondContact O-N 3.49Å
190Y92.6Very high87.3Confident64 Ų6459.1 Ų59.125%0.25128%0.283SS..Hα-helixtrans-57.8-40.7172168.9-109.3000112.3P186 F187 I188 L193 T194 L243P186-Y190 VanDerWaalsContact O-CB 3.32Å; P186-Y190 WeakPolarHBondContact O-CB 3.5Å; P186-Y190 PolarHBondContact O-N 3.42Å; F187-Y190 PolarHBondContact O-N 3.18Å; I188-Y190 PolarHBondContact O-N 3.08Å; Y190-L193 PolarHBondContact O-N 3.14Å; Y190-T194 WeakPolarHBondContact O-CB 3.16Å; Y190-T194 PolarHBondContact O-N 2.8Å; Y190-T194 PolarHBondContact O-OG1 3.01Å; Y190-L243 HydrophobicContact CE2-CB 4.05Å; Y190-L243 PolarHBondContact OH-O 2.93Å
191R91.2Very high87Confident166 Ų16660.5 Ų60.563%0.62628%0.284SS*.Hα-helixtrans-64.7-42.6175.2-66.2-61.1-172.9179.90.2111.9F187 I188 Y189 T194 L195F187-R191 PolarHBondContact O-N 2.95Å; I188-R191 WeakPolarHBondContact O-CB 3.28Å; I188-R191 PolarHBondContact O-N 2.87Å; I188-R191 VanDerWaalsContact O-N 3.16Å; Y189-R191 VanDerWaalsContact C-N 3.29Å; Y189-R191 PolarHBondContact O-N 2.77Å; R191-T194 PolarHBondContact O-N 3.31Å; R191-L195 WeakPolarHBondContact O-CG 3.46Å; R191-L195 PolarHBondContact O-N 3.1Å
192F92.1Very high86.9Confident4 Ų460 Ų602%0.01828%0.277CS..Hα-helixtrans-56.4-49.5171.4163.5-95000111.3H95 Y99 I102 E165 I188 Y189 T194 L195 R196H95-F192 HydrophobicContact CB-CD2 4.23Å; H95-F192 HydrophobicContact CB-CE2 3.83Å; H95-F192 WeakPolarHBondContact O-CD2 3.4Å; H95-F192 WeakPolarHBondContact O-CE2 3.46Å; Y99-F192 AromaticContact CD2-CD1 3.99Å; Y99-F192 HydrophobicContact CD2-CD1 3.99Å; Y99-F192 HydrophobicContact CD2-CD2 4.16Å; Y99-F192 AromaticContact CD2-CE1 3.52Å; Y99-F192 HydrophobicContact CD2-CE1 3.52Å; Y99-F192 AromaticContact CD2-CE2 3.69Å; Y99-F192 HydrophobicContact CD2-CE2 3.69Å; Y99-F192 HydrophobicContact CD2-CG 4.29Å; Y99-F192 AromaticContact CD2-CZ 3.35Å; Y99-F192 HydrophobicContact CD2-CZ 3.35Å; Y99-F192 AromaticContact CE2-CE1 3.89Å; Y99-F192 HydrophobicContact CE2-CE1 3.89Å; Y99-F192 HydrophobicContact CE2-CZ 4.01Å; Y99-F192 HydrophobicContact CG-CE2 4.14Å; Y99-F192 HydrophobicContact CG-CZ 4.14Å; I102-F192 HydrophobicContact CD1-CB 4.47Å; E165-F192 HydrophobicContact CG-CE1 4.43Å; I188-F192 PolarHBondContact O-N 3.49Å; Y189-F192 HydrophobicContact CD2-CD1 4.24Å; Y189-F192 AromaticContact CE2-CD1 3.77Å; Y189-F192 HydrophobicContact CE2-CD1 3.77Å; Y189-F192 HydrophobicContact CE2-CE1 4.1Å; Y189-F192 AromaticContact CZ-CD1 3.94Å; Y189-F192 WeakPolarHBondContact O-CB 3.12Å; Y189-F192 PolarHBondContact O-N 2.9Å; F192-T194 VanDerWaalsContact C-N 3.3Å; F192-T194 PolarHBondContact O-N 2.94Å; F192-L195 WeakPolarHBondContact O-CB 3.2Å; F192-L195 PolarHBondContact O-N 3.05Å; F192-L195 VanDerWaalsContact O-N 3.12Å; F192-R196 HydrophobicContact CD1-CG 4.25Å; F192-R196 HydrophobicContact CD2-CG 4.21Å; F192-R196 HydrophobicContact CE1-CG 3.73Å; F192-R196 HydrophobicContact CE2-CG 3.7Å; F192-R196 HydrophobicContact CG-CG 4.46Å; F192-R196 HydrophobicContact CZ-CG 3.43Å; F192-R196 VanDerWaalsContact CZ-CG 3.43Å; F192-R196 WeakPolarHBondContact O-CG 3.5Å; F192-R196 PolarHBondContact O-N 3Å
193L91.8Very high86.9Confident13 Ų1359 Ų597%0.06827%0.268CS..Hα-helixtrans-64.7-35.6-178-17058.7000112.3I166 M169 Y189 Y190 R196 Y197 F209I166-L193 HydrophobicContact CG1-CD1 4.33Å; M169-L193 HydrophobicContact CB-CD2 3.96Å; M169-L193 HydrophobicContact CG-CD2 4.37Å; Y189-L193 PolarHBondContact O-N 3.49Å; Y190-L193 PolarHBondContact O-N 3.14Å; L193-R196 PolarHBondContact O-N 3.11Å; L193-Y197 WeakPolarHBondContact O-CB 3.21Å; L193-Y197 PolarHBondContact O-N 3.4Å; L193-F209 HydrophobicContact CD1-CE2 4.23Å; L193-F209 HydrophobicContact CD1-CZ 4.44Å; L193-F209 HydrophobicContact CD2-CZ 3.98Å; L193-F209 HydrophobicContact CG-CE2 4.32Å; L193-F209 HydrophobicContact CG-CZ 4.25Å
194T90.6Very high87Confident27 Ų2755.9 Ų55.917%0.16625%0.249CC..Hα-helixtrans-61.7-46.7172.4-56.60000111.1Y190 R191 F192 R196 Y197 T198 P245Y190-T194 WeakPolarHBondContact O-CB 3.16Å; Y190-T194 PolarHBondContact O-N 2.8Å; Y190-T194 PolarHBondContact O-OG1 3.01Å; R191-T194 PolarHBondContact O-N 3.31Å; F192-T194 VanDerWaalsContact C-N 3.3Å; F192-T194 PolarHBondContact O-N 2.94Å; T194-R196 VanDerWaalsContact C-N 3.33Å; T194-R196 PolarHBondContact O-N 3.31Å; T194-Y197 WeakPolarHBondContact O-CB 3.48Å; T194-Y197 PolarHBondContact O-N 3.49Å; T194-T198 WeakPolarHBondContact O-CG2 3.49Å; T194-T198 PolarHBondContact O-N 3.4Å; T194-T198 PolarHBondContact O-OG1 2.84Å; T194-P245 HydrophobicContact CG2-CB 4.24Å; T194-P245 HydrophobicContact CG2-CG 3.98Å
195L88.5Confident86.8Confident41 Ų4150.8 Ų50.822%0.21522%0.223CC..Hα-helixtrans-59.8-43.7176.1-70.5171.2000111.4L89 H95 L98 R191 F192 Y197 T198 S199L89-L195 HydrophobicContact CB-CD2 4.45Å; L89-L195 HydrophobicContact CD2-CD1 4.25Å; H95-L195 PolarHBondContact CE1-O 3.28Å; L98-L195 HydrophobicContact CD1-CD1 4.18Å; R191-L195 WeakPolarHBondContact O-CG 3.46Å; R191-L195 PolarHBondContact O-N 3.1Å; F192-L195 WeakPolarHBondContact O-CB 3.2Å; F192-L195 PolarHBondContact O-N 3.05Å; F192-L195 VanDerWaalsContact O-N 3.12Å; L195-Y197 PolarHBondContact O-N 2.81Å; L195-T198 CarbonylContact O-C 3.6Å; L195-T198 PolarHBondContact O-N 3.42Å; L195-T198 PolarHBondContact O-OG1 3.18Å; L195-S199 PolarHBondContact O-N 2.87Å
196R89.7Confident86.7Confident0 Ų054.8 Ų54.80%024%0.237CC..Hα-helixtrans-61.2-43.3175.9-67.2-66.7-70.8146.8-4.8112.4D92 H95 E165 F192 L193 T194 T198 S199 N202D92-R196 IonicContact OD1-NH1 3.28Å; D92-R196 PolarHBondContact OD1-NH1 3.49Å; H95-R196 WeakPolarHBondContact ND1-CD 3.34Å; E165-R196 IonicContact OE1-CZ 3.5Å; E165-R196 IonicContact OE1-NE 3.61Å; E165-R196 PolarHBondContact OE1-NE 3.36Å; E165-R196 IonicContact OE1-NH2 2.77Å; E165-R196 PolarHBondContact OE1-NH2 3.47Å; E165-R196 IonicContact OE2-CZ 3.35Å; E165-R196 IonicContact OE2-NE 2.81Å; E165-R196 PolarHBondContact OE2-NE 3.16Å; E165-R196 IonicContact OE2-NH2 3.73Å; E165-R196 PolarHBondContact OE2-NH2 2.89Å; F192-R196 HydrophobicContact CD1-CG 4.25Å; F192-R196 HydrophobicContact CD2-CG 4.21Å; F192-R196 HydrophobicContact CE1-CG 3.73Å; F192-R196 HydrophobicContact CE2-CG 3.7Å; F192-R196 HydrophobicContact CG-CG 4.46Å; F192-R196 HydrophobicContact CZ-CG 3.43Å; F192-R196 VanDerWaalsContact CZ-CG 3.43Å; F192-R196 WeakPolarHBondContact O-CG 3.5Å; F192-R196 PolarHBondContact O-N 3Å; L193-R196 PolarHBondContact O-N 3.11Å; T194-R196 VanDerWaalsContact C-N 3.33Å; T194-R196 PolarHBondContact O-N 3.31Å; R196-T198 VanDerWaalsContact C-N 3.3Å; R196-T198 PolarHBondContact O-N 2.87Å; R196-S199 VanDerWaalsContact O-CB 3.29Å; R196-S199 WeakPolarHBondContact O-CB 3.39Å; R196-S199 PolarHBondContact O-N 3.49Å; R196-S199 VanDerWaalsContact O-N 3.16Å; R196-N202 PolarHBondContact NH2-ND2 2.88Å
197Y86.9Confident86.6Confident58 Ų5856.9 Ų56.923%0.22725%0.25CS..Hα-helixtrans-60.1-40.9176.4-176.8-88.5000112.2L193 T194 L195 S199 R206 F209 P245L193-Y197 WeakPolarHBondContact O-CB 3.21Å; L193-Y197 PolarHBondContact O-N 3.4Å; T194-Y197 WeakPolarHBondContact O-CB 3.48Å; T194-Y197 PolarHBondContact O-N 3.49Å; L195-Y197 PolarHBondContact O-N 2.81Å; Y197-S199 VanDerWaalsContact C-N 3.31Å; Y197-R206 HydrophobicContact CD2-CB 4.25Å; Y197-R206 HydrophobicContact CD2-CG 4.49Å; Y197-R206 HydrophobicContact CE2-CB 4.12Å; Y197-R206 HydrophobicContact CE2-CG 3.9Å; Y197-R206 PolarHBondContact O-NH1 3.29Å; Y197-F209 AromaticContact CD2-CD2 3.62Å; Y197-F209 HydrophobicContact CD2-CD2 3.62Å; Y197-F209 HydrophobicContact CD2-CE2 4.1Å; Y197-F209 HydrophobicContact CD2-CG 4.34Å; Y197-F209 HydrophobicContact CE2-CB 4.14Å; Y197-F209 HydrophobicContact CE2-CD2 4.04Å; Y197-F209 HydrophobicContact CE2-CG 4.33Å; Y197-P245 HydrophobicContact CD1-CG 3.58Å; Y197-P245 HydrophobicContact CE1-CG 4.03Å
198T83.8Confident86.5Confident49 Ų4951.5 Ų51.530%0.30123%0.227SC..Hα-helixtrans-80.2-7.5178.360.30000114.3T194 L195 R196 R200 P245T194-T198 WeakPolarHBondContact O-CG2 3.49Å; T194-T198 PolarHBondContact O-N 3.4Å; T194-T198 PolarHBondContact O-OG1 2.84Å; L195-T198 CarbonylContact O-C 3.6Å; L195-T198 PolarHBondContact O-N 3.42Å; L195-T198 PolarHBondContact O-OG1 3.18Å; R196-T198 VanDerWaalsContact C-N 3.3Å; R196-T198 PolarHBondContact O-N 2.87Å; T198-R200 PolarHBondContact O-N 3.2Å; T198-P245 HydrophobicContact CG2-CB 4.14Å; T198-P245 HydrophobicContact CG2-CG 3.6Å
199S80.3Confident86.4Confident2 Ų250.2 Ų50.21%0.01422%0.219CC..  trans-59128.2-179.8-174.20000110.4D92 L195 R196 Y197 R201 N202D92-S199 PolarHBondContact OD1-OG 2.98Å; L195-S199 PolarHBondContact O-N 2.87Å; R196-S199 VanDerWaalsContact O-CB 3.29Å; R196-S199 WeakPolarHBondContact O-CB 3.39Å; R196-S199 PolarHBondContact O-N 3.49Å; R196-S199 VanDerWaalsContact O-N 3.16Å; Y197-S199 VanDerWaalsContact C-N 3.31Å; S199-R201 PolarHBondContact OG-N 3.38Å; S199-N202 PolarHBondContact OG-N 2.91Å
200R71.3Confident86.3Confident183 Ų18353.5 Ų53.569%0.69124%0.239SC*.SBendtrans-81.3-27.3175.1-68.2-173.4177.6-166.9-1.7112.1T198T198-R200 PolarHBondContact O-N 3.2Å
201R71.5Confident86.2Confident134 Ų13453.7 Ų53.751%0.50624%0.242SC..SBendtrans-82.3-30.1-175.8-68.9-112.4-171.287.48.4112.7E91 S199E91-R201 IonicContact OE1-CZ 3.29Å; E91-R201 IonicContact OE1-NH1 3.29Å; E91-R201 PolarHBondContact OE1-NH1 3.25Å; E91-R201 IonicContact OE1-NH2 2.64Å; E91-R201 PolarHBondContact OE1-NH2 3.42Å; E91-R201 IonicContact OE2-CZ 2.8Å; E91-R201 IonicContact OE2-NH1 3.4Å; E91-R201 PolarHBondContact OE2-NH1 3.03Å; S199-R201 PolarHBondContact OG-N 3.38Å
202N77.3Confident86.1Confident8 Ų848.6 Ų48.64%0.04323%0.227CC..  trans-120.293.9178.6-173.2-26.8000110.7R196 S199 Y204R196-N202 PolarHBondContact NH2-ND2 2.88Å; S199-N202 PolarHBondContact OG-N 2.91Å; N202-Y204 VanDerWaalsContact C-N 3.28Å; N202-Y204 PolarHBondContact O-N 2.83Å; N202-Y204 WeakPolarHBondContact OD1-CB 3.43Å; N202-Y204 WeakPolarHBondContact OD1-CD2 3.22Å; N202-Y204 PolarHBondContact OD1-N 3.38Å; N202-Y204 VanDerWaalsContact OD1-N 3.12Å
203P84.1Confident86Confident47 Ų4754.1 Ų54.131%0.30525%0.248SC..  trans-77.3-11.6-179.131.9-35.4000113.4C205 R206 T207P203-C205 VanDerWaalsContact C-N 3.31Å; P203-C205 PolarHBondContact O-N 3.01Å; P203-R206 PolarHBondContact O-N 3.06Å; P203-R206 VanDerWaalsContact O-N 3.11Å; P203-T207 PolarHBondContact O-N 2.75Å; P203-T207 PolarHBondContact O-OG1 3.21Å; P203-T207 VanDerWaalsContact O-OG1 3.14Å
204Y87.7Confident86Confident49 Ų4958.2 Ų58.219%0.19227%0.269CS..Hα-helixtrans-62.2-34.9-168.2-64.3-74.9000113.2L158 K159 N202 L208L158-Y204 HydrophobicContact CB-CD1 4.49Å; L158-Y204 HydrophobicContact CB-CD2 3.78Å; L158-Y204 HydrophobicContact CB-CE1 4.5Å; L158-Y204 HydrophobicContact CB-CE2 3.83Å; L158-Y204 HydrophobicContact CB-CG 4.15Å; L158-Y204 HydrophobicContact CD1-CD2 4.15Å; L158-Y204 HydrophobicContact CD1-CE2 3.47Å; L158-Y204 VanDerWaalsContact CD1-CE2 3.47Å; L158-Y204 HydrophobicContact CG-CD2 4.49Å; L158-Y204 HydrophobicContact CG-CE2 4.24Å; K159-Y204 HydrophobicContact CG-CD1 3.91Å; K159-Y204 HydrophobicContact CG-CE1 4.42Å; N202-Y204 VanDerWaalsContact C-N 3.28Å; N202-Y204 PolarHBondContact O-N 2.83Å; N202-Y204 WeakPolarHBondContact OD1-CB 3.43Å; N202-Y204 WeakPolarHBondContact OD1-CD2 3.22Å; N202-Y204 PolarHBondContact OD1-N 3.38Å; N202-Y204 VanDerWaalsContact OD1-N 3.12Å; Y204-L208 WeakPolarHBondContact O-CB 3.1Å; Y204-L208 PolarHBondContact O-N 3.43Å
205C85.9Confident86.1Confident0 Ų062.3 Ų62.30%029%0.289CS..Hα-helixtrans-62-50.3175.1-172.10000111.1A162 P203 L208 F209A162-C205 HydrophobicContact CB-CB 4.44Å; P203-C205 VanDerWaalsContact C-N 3.31Å; P203-C205 PolarHBondContact O-N 3.01Å; C205-L208 PolarHBondContact O-N 3.08Å; C205-F209 VanDerWaalsContact O-CD2 3.27Å; C205-F209 WeakPolarHBondContact O-CD2 3.19Å; C205-F209 PolarHBondContact O-N 3.28Å
206R87.9Confident86.2Confident90 Ų9063.1 Ų63.134%0.3429%0.293SS..Hα-helixtrans-62.5-45176.9-178.8171.164.4-109.41.7111.9Y197 P203 L208 F209 T210Y197-R206 HydrophobicContact CD2-CB 4.25Å; Y197-R206 HydrophobicContact CD2-CG 4.49Å; Y197-R206 HydrophobicContact CE2-CB 4.12Å; Y197-R206 HydrophobicContact CE2-CG 3.9Å; Y197-R206 PolarHBondContact O-NH1 3.29Å; P203-R206 PolarHBondContact O-N 3.06Å; P203-R206 VanDerWaalsContact O-N 3.11Å; R206-L208 VanDerWaalsContact C-N 3.33Å; R206-L208 PolarHBondContact O-N 2.99Å; R206-F209 PolarHBondContact O-N 3.21Å; R206-T210 PolarHBondContact O-N 3.09Å; R206-T210 VanDerWaalsContact O-N 3.16Å; R206-T210 PolarHBondContact O-OG1 3.2Å
207T89.1Confident86.3Confident53 Ų5366 Ų6633%0.32531%0.307SS..Hα-helixtrans-58.4-45.1177.3-60.80000111.4P203 T210 E211P203-T207 PolarHBondContact O-N 2.75Å; P203-T207 PolarHBondContact O-OG1 3.21Å; P203-T207 VanDerWaalsContact O-OG1 3.14Å; T207-T210 WeakPolarHBondContact O-CB 3.28Å; T207-T210 PolarHBondContact O-N 3.3Å; T207-E211 HydrophobicContact CG2-CG 4.28Å; T207-E211 WeakPolarHBondContact CG2-OE1 3.45Å; T207-E211 WeakPolarHBondContact O-CG 3.49Å; T207-E211 PolarHBondContact O-N 2.89Å
208L89.7Confident86.5Confident17 Ų1769.2 Ų69.29%0.08932%0.323CS..Hα-helixtrans-69.4-36.8179.7-83.8169.4000113.6K159 A162 C163 I166 Y204 C205 R206 T210 E211 L212K159-L208 HydrophobicContact CB-CD1 4.25Å; K159-L208 WeakPolarHBondContact O-CD1 3.35Å; A162-L208 HydrophobicContact CB-CD1 3.6Å; C163-L208 HydrophobicContact CB-CD1 4.07Å; I166-L208 HydrophobicContact CD1-CB 3.92Å; Y204-L208 WeakPolarHBondContact O-CB 3.1Å; Y204-L208 PolarHBondContact O-N 3.43Å; C205-L208 PolarHBondContact O-N 3.08Å; R206-L208 VanDerWaalsContact C-N 3.33Å; R206-L208 PolarHBondContact O-N 2.99Å; L208-T210 PolarHBondContact O-N 3.32Å; L208-E211 WeakPolarHBondContact CD2-OE2 3.4Å; L208-E211 PolarHBondContact O-N 3.38Å; L208-L212 VanDerWaalsContact O-CB 3.26Å; L208-L212 WeakPolarHBondContact O-CB 3.26Å; L208-L212 WeakPolarHBondContact O-CG 3.41Å; L208-L212 PolarHBondContact O-N 3.18Å
209F89.9Confident86.8Confident48 Ų4871.8 Ų71.821%0.21133%0.331CS..Hα-helixtrans-57.7-41.1171.3-88.5-67.5000111.7I166 L193 Y197 C205 R206 R213 I240I166-F209 HydrophobicContact CB-CZ 4.38Å; I166-F209 HydrophobicContact CD1-CD1 4.34Å; I166-F209 HydrophobicContact CD1-CD2 3.75Å; I166-F209 HydrophobicContact CD1-CE1 4.36Å; I166-F209 HydrophobicContact CD1-CE2 3.8Å; I166-F209 HydrophobicContact CD1-CG 4.06Å; I166-F209 HydrophobicContact CD1-CZ 4.12Å; I166-F209 HydrophobicContact CG1-CD2 4.11Å; I166-F209 HydrophobicContact CG1-CE1 4.26Å; I166-F209 HydrophobicContact CG1-CE2 3.6Å; I166-F209 HydrophobicContact CG1-CZ 3.7Å; I166-F209 HydrophobicContact CG2-CE1 3.86Å; I166-F209 HydrophobicContact CG2-CZ 3.96Å; L193-F209 HydrophobicContact CD1-CE2 4.23Å; L193-F209 HydrophobicContact CD1-CZ 4.44Å; L193-F209 HydrophobicContact CD2-CZ 3.98Å; L193-F209 HydrophobicContact CG-CE2 4.32Å; L193-F209 HydrophobicContact CG-CZ 4.25Å; Y197-F209 AromaticContact CD2-CD2 3.62Å; Y197-F209 HydrophobicContact CD2-CD2 3.62Å; Y197-F209 HydrophobicContact CD2-CE2 4.1Å; Y197-F209 HydrophobicContact CD2-CG 4.34Å; Y197-F209 HydrophobicContact CE2-CB 4.14Å; Y197-F209 HydrophobicContact CE2-CD2 4.04Å; Y197-F209 HydrophobicContact CE2-CG 4.33Å; C205-F209 VanDerWaalsContact O-CD2 3.27Å; C205-F209 WeakPolarHBondContact O-CD2 3.19Å; C205-F209 PolarHBondContact O-N 3.28Å; R206-F209 PolarHBondContact O-N 3.21Å; F209-R213 WeakPolarHBondContact O-CB 3.32Å; F209-R213 PolarHBondContact O-N 3.24Å; F209-I240 HydrophobicContact CE1-CG2 4.31Å
210T89.9Confident87.4Confident71 Ų7171.7 Ų71.744%0.43633%0.33SS..Hα-helixtrans-67.2-47.6174.8-57.90000112R206 T207 L208 L212 R213 I214R206-T210 PolarHBondContact O-N 3.09Å; R206-T210 VanDerWaalsContact O-N 3.16Å; R206-T210 PolarHBondContact O-OG1 3.2Å; T207-T210 WeakPolarHBondContact O-CB 3.28Å; T207-T210 PolarHBondContact O-N 3.3Å; L208-T210 PolarHBondContact O-N 3.32Å; T210-L212 PolarHBondContact O-N 2.81Å; T210-R213 PolarHBondContact O-N 2.91Å; T210-I214 HydrophobicContact CG2-CD1 3.88Å; T210-I214 WeakPolarHBondContact O-CG1 3.22Å; T210-I214 PolarHBondContact O-N 3.35Å
211E90.7Very high88.3Confident68 Ų6869.6 Ų69.632%0.31833%0.33SS..Hα-helixtrans-59.3-46.4177.9-72.9177.4-175.200111.1K159 T207 L208 R213 I214 L215K159-E211 IonicContact NZ-OE1 2.93Å; K159-E211 PolarHBondContact NZ-OE1 3.37Å; K159-E211 IonicContact NZ-OE2 3.54Å; K159-E211 PolarHBondContact NZ-OE2 3.36Å; T207-E211 HydrophobicContact CG2-CG 4.28Å; T207-E211 WeakPolarHBondContact CG2-OE1 3.45Å; T207-E211 WeakPolarHBondContact O-CG 3.49Å; T207-E211 PolarHBondContact O-N 2.89Å; L208-E211 WeakPolarHBondContact CD2-OE2 3.4Å; L208-E211 PolarHBondContact O-N 3.38Å; E211-R213 VanDerWaalsContact C-N 3.34Å; E211-R213 PolarHBondContact O-N 3.11Å; E211-I214 PolarHBondContact O-N 3.45Å; E211-L215 WeakPolarHBondContact O-CB 3.36Å; E211-L215 VanDerWaalsContact O-CG 3.26Å; E211-L215 WeakPolarHBondContact O-CG 3.48Å; E211-L215 PolarHBondContact O-N 3.02Å
212L89.5Confident89.2Confident59 Ų5968.2 Ų68.231%0.30933%0.327SS..Hα-helixtrans-61.4-41.3177.3-73.3171.8000112.1I166 L208 T210 L215 L216I166-L212 HydrophobicContact CD1-CD1 4.29Å; I166-L212 HydrophobicContact CG2-CD1 4.28Å; L208-L212 VanDerWaalsContact O-CB 3.26Å; L208-L212 WeakPolarHBondContact O-CB 3.26Å; L208-L212 WeakPolarHBondContact O-CG 3.41Å; L208-L212 PolarHBondContact O-N 3.18Å; T210-L212 PolarHBondContact O-N 2.81Å; L212-L215 PolarHBondContact O-N 2.88Å; L212-L216 WeakPolarHBondContact O-CB 3.43Å; L212-L216 PolarHBondContact O-N 3.48Å
213R90.7Very high89.5Confident120 Ų12073.9 Ų73.945%0.45337%0.365SS..Hα-helixtrans-60.9-50.3175.2176.9178.8171.6176.5-3.5111.2F209 T210 E211 L215 L216 E217 I237F209-R213 WeakPolarHBondContact O-CB 3.32Å; F209-R213 PolarHBondContact O-N 3.24Å; T210-R213 PolarHBondContact O-N 2.91Å; E211-R213 VanDerWaalsContact C-N 3.34Å; E211-R213 PolarHBondContact O-N 3.11Å; R213-L215 VanDerWaalsContact C-N 3.33Å; R213-L215 PolarHBondContact O-N 3.12Å; R213-L216 PolarHBondContact O-N 3.16Å; R213-E217 HydrophobicContact CG-CG 4.43Å; R213-E217 IonicContact CZ-OE1 2.64Å; R213-E217 IonicContact NE-OE1 3.16Å; R213-E217 PolarHBondContact NE-OE1 3.02Å; R213-E217 IonicContact NH2-OE1 3.91Å; R213-E217 PolarHBondContact NH2-OE1 2.96Å; R213-E217 WeakPolarHBondContact O-CB 3.48Å; R213-E217 WeakPolarHBondContact O-CG 3.38Å; R213-E217 PolarHBondContact O-N 3.3Å; R213-I237 HydrophobicContact CG-CG2 4.29Å
214I92Very high89.8Confident98 Ų9877.1 Ų77.150%0.50339%0.388SS..Hα-helixtrans-61.3-42.6-179.9-67.1167.2000110.8T210 E211 L216 E217 H218T210-I214 HydrophobicContact CG2-CD1 3.88Å; T210-I214 WeakPolarHBondContact O-CG1 3.22Å; T210-I214 PolarHBondContact O-N 3.35Å; E211-I214 PolarHBondContact O-N 3.45Å; I214-L216 VanDerWaalsContact C-N 3.34Å; I214-L216 PolarHBondContact O-N 3.01Å; I214-E217 PolarHBondContact O-N 2.94Å; I214-H218 WeakPolarHBondContact O-CB 3.14Å; I214-H218 PolarHBondContact O-N 3.3Å
215L90.9Very high89.7Confident114 Ų11475.4 Ų75.460%0.59738%0.383SS*.Hα-helixtrans-62.3-41.8177.1-72.7173.5000111.9E211 L212 R213 H218 F219E211-L215 WeakPolarHBondContact O-CB 3.36Å; E211-L215 VanDerWaalsContact O-CG 3.26Å; E211-L215 WeakPolarHBondContact O-CG 3.48Å; E211-L215 PolarHBondContact O-N 3.02Å; L212-L215 PolarHBondContact O-N 2.88Å; R213-L215 VanDerWaalsContact C-N 3.33Å; R213-L215 PolarHBondContact O-N 3.12Å; L215-H218 PolarHBondContact O-N 2.94Å; L215-F219 WeakPolarHBondContact O-CB 3.38Å; L215-F219 PolarHBondContact O-N 3.46Å
216L90.4Very high90Very high58 Ų5879 Ų7930%0.30441%0.407SS..Hα-helixtrans-67.8-42.2177.9-169.460.5000111.5L212 R213 I214 F219 I220 C233 I237L212-L216 WeakPolarHBondContact O-CB 3.43Å; L212-L216 PolarHBondContact O-N 3.48Å; R213-L216 PolarHBondContact O-N 3.16Å; I214-L216 VanDerWaalsContact C-N 3.34Å; I214-L216 PolarHBondContact O-N 3.01Å; L216-F219 PolarHBondContact O-N 2.91Å; L216-I220 WeakPolarHBondContact O-CG1 3.45Å; L216-I220 WeakPolarHBondContact O-CG2 3.35Å; L216-I220 PolarHBondContact O-N 3.33Å; L216-I220 VanDerWaalsContact O-N 3.09Å; L216-C233 HydrophobicContact CD1-CB 4.05Å; L216-C233 HydrophobicContact CD2-CB 4.12Å; L216-C233 HydrophobicContact CG-CB 4.02Å; L216-I237 HydrophobicContact CB-CD1 4.41Å; L216-I237 HydrophobicContact CD2-CD1 3.91Å; L216-I237 HydrophobicContact CD2-CG1 3.77Å; L216-I237 HydrophobicContact CG-CD1 4.14Å
217E91.9Very high90.1Very high60 Ų6077.5 Ų77.528%0.2841%0.414SS..Hα-helixtrans-60.5-46173.8-73.9174.2177.700111R213 I214 F219 I220 M221 I237R213-E217 HydrophobicContact CG-CG 4.43Å; R213-E217 IonicContact CZ-OE1 2.64Å; R213-E217 IonicContact NE-OE1 3.16Å; R213-E217 PolarHBondContact NE-OE1 3.02Å; R213-E217 IonicContact NH2-OE1 3.91Å; R213-E217 PolarHBondContact NH2-OE1 2.96Å; R213-E217 WeakPolarHBondContact O-CB 3.48Å; R213-E217 WeakPolarHBondContact O-CG 3.38Å; R213-E217 PolarHBondContact O-N 3.3Å; I214-E217 PolarHBondContact O-N 2.94Å; E217-F219 VanDerWaalsContact C-N 3.32Å; E217-F219 PolarHBondContact O-N 3.49Å; E217-I220 WeakPolarHBondContact O-CG1 3.47Å; E217-I220 PolarHBondContact O-N 3.07Å; E217-M221 VanDerWaalsContact O-CG 3.22Å; E217-M221 WeakPolarHBondContact O-CG 3.25Å; E217-M221 PolarHBondContact O-N 3.21Å; E217-I237 HydrophobicContact CG-CD1 3.85Å
218H92.4Very high90.2Very high125 Ų12581.7 Ų81.758%0.57943%0.428SS*.Hα-helixtrans-62.8-38.7176-175.875.4000112.4I214 L215 M221I214-H218 WeakPolarHBondContact O-CB 3.14Å; I214-H218 PolarHBondContact O-N 3.3Å; L215-H218 PolarHBondContact O-N 2.94Å; H218-M221 PolarHBondContact O-N 3.31Å
219F89.9Confident90.2Very high103 Ų10384.3 Ų84.345%0.45244%0.442SS..Hα-helixtrans-62.6-43.5177.9179.7-101.7000112.3L215 L216 E217 M221 K222L215-F219 WeakPolarHBondContact O-CB 3.38Å; L215-F219 PolarHBondContact O-N 3.46Å; L216-F219 PolarHBondContact O-N 2.91Å; E217-F219 VanDerWaalsContact C-N 3.32Å; E217-F219 PolarHBondContact O-N 3.49Å; F219-M221 VanDerWaalsContact C-N 3.34Å; F219-M221 PolarHBondContact O-N 3.35Å; F219-K222 WeakPolarHBondContact O-CB 3.45Å; F219-K222 PolarHBondContact O-N 2.87Å
220I92.7Very high90.3Very high0 Ų086.1 Ų86.10%045%0.447CS..Hα-helixtrans-75.9-19.9-178.263.2171.4000114.3L216 E217 K222 R230 C233 L234L216-I220 WeakPolarHBondContact O-CG1 3.45Å; L216-I220 WeakPolarHBondContact O-CG2 3.35Å; L216-I220 PolarHBondContact O-N 3.33Å; L216-I220 VanDerWaalsContact O-N 3.09Å; E217-I220 WeakPolarHBondContact O-CG1 3.47Å; E217-I220 PolarHBondContact O-N 3.07Å; I220-K222 PolarHBondContact O-N 3Å; I220-R230 HydrophobicContact CB-CB 4.48Å; I220-R230 HydrophobicContact CB-CG 4.17Å; I220-R230 PolarHBondContact O-NE 3.01Å; I220-R230 PolarHBondContact O-NH2 3.18Å; I220-C233 HydrophobicContact CG2-CB 3.55Å; I220-L234 HydrophobicContact CD1-CD1 4.45Å; I220-L234 HydrophobicContact CD1-CD2 3.44Å; I220-L234 VanDerWaalsContact CD1-CD2 3.44Å; I220-L234 HydrophobicContact CD1-CG 3.71Å
221M89.9Confident90.4Very high139 Ų13991.5 Ų91.569%0.68546%0.459SS*.Hα-helixtrans-73.8-15.1175.2-70.2-61.5147.300112.7E217 H218 F219E217-M221 VanDerWaalsContact O-CG 3.22Å; E217-M221 WeakPolarHBondContact O-CG 3.25Å; E217-M221 PolarHBondContact O-N 3.21Å; H218-M221 PolarHBondContact O-N 3.31Å; F219-M221 VanDerWaalsContact C-N 3.34Å; F219-M221 PolarHBondContact O-N 3.35Å
222K90.3Very high90.4Very high105 Ų10592.7 Ų92.746%0.45747%0.466SS..SBendtrans-63.8135.2175.7-65.4-174.9179.1-173.90110.4F219 I220 S224 C225 R230F219-K222 WeakPolarHBondContact O-CB 3.45Å; F219-K222 PolarHBondContact O-N 2.87Å; I220-K222 PolarHBondContact O-N 3Å; K222-S224 PolarHBondContact O-N 2.99Å; K222-C225 WeakPolarHBondContact O-CB 3.24Å; K222-C225 PolarHBondContact O-N 3.34Å; K222-C225 VanDerWaalsContact O-N 3.11Å; K222-R230 PolarHBondContact O-NH2 3.43Å
223P84.6Confident90.4Very high128 Ų12890.9 Ų90.983%0.83146%0.458SS*.THydrogen-bonded Turntrans-64-27.2-177.424.6-33.4000112.6C225P223-C225 PolarHBondContact O-N 2.59Å
224S89.2Confident90.5Very high114 Ų11489.2 Ų89.280%0.79746%0.458SS*.THydrogen-bonded Turntrans-76.3-1.4177.6-44.50000114.6K222 P226K222-S224 PolarHBondContact O-N 2.99Å; S224-P226 WeakPolarHBondContact O-CD 3.46Å
225C86.5Confident90.4Very high13 Ų1388.4 Ų88.49%0.08846%0.461CS..SBendtrans-79.1120.7-178.4-169.50000111K222 P223K222-C225 WeakPolarHBondContact O-CB 3.24Å; K222-C225 PolarHBondContact O-N 3.34Å; K222-C225 VanDerWaalsContact O-N 3.11Å; P223-C225 PolarHBondContact O-N 2.59Å
226P92.2Very high90.3Very high75 Ų7585.6 Ų85.649%0.48745%0.451SS..  trans-55.2139.5175.1-24.932.8000112.6S224 F228 L229 R230S224-P226 WeakPolarHBondContact O-CD 3.46Å; P226-F228 PolarHBondContact O-N 3.15Å; P226-F228 VanDerWaalsContact O-N 3.13Å; P226-L229 HydrophobicContact CG-CD1 4.18Å; P226-L229 PolarHBondContact O-N 3.43Å; P226-R230 PolarHBondContact O-N 2.91Å; P226-R230 VanDerWaalsContact O-N 3.12Å
227A89.7Confident90.2Very high60 Ų6083.7 Ų83.750%0.49644%0.44SS..Hα-helixtrans-56.9-34-177.300000113.3R231A227-R231 WeakPolarHBondContact O-CG 3.46Å; A227-R231 PolarHBondContact O-N 3.04Å
228F91.4Very high90.1Very high141 Ų14182.7 Ų82.762%0.61844%0.443SS*.Hα-helixtrans-61.5-50175.1174.6-106000112.4P226 R230 R231 M232P226-F228 PolarHBondContact O-N 3.15Å; P226-F228 VanDerWaalsContact O-N 3.13Å; F228-R230 VanDerWaalsContact C-N 3.33Å; F228-R230 PolarHBondContact O-N 3.36Å; F228-R231 PolarHBondContact O-N 2.82Å; F228-M232 HydrophobicContact CD1-SD 4.11Å; F228-M232 HydrophobicContact CE1-CG 4.2Å; F228-M232 HydrophobicContact CE1-SD 3.28Å; F228-M232 WeakPolarHBondContact CE1-SD 3.4Å; F228-M232 HydrophobicContact CE2-CG 4.14Å; F228-M232 HydrophobicContact CE2-SD 4.04Å; F228-M232 HydrophobicContact CZ-CG 3.94Å; F228-M232 HydrophobicContact CZ-SD 3.24Å; F228-M232 WeakPolarHBondContact CZ-SD 3.46Å; F228-M232 PolarHBondContact O-N 2.64Å
229L90.4Very high89.9Confident72 Ų7282.8 Ų82.838%0.37744%0.442SS..Hα-helixtrans-62.9-40.9178.8-70.4-178.6000111.4P226 R231 M232 C233P226-L229 HydrophobicContact CG-CD1 4.18Å; P226-L229 PolarHBondContact O-N 3.43Å; L229-R231 PolarHBondContact O-N 3.31Å; L229-M232 PolarHBondContact O-N 3.41Å; L229-C233 WeakPolarHBondContact O-CB 3.5Å; L229-C233 PolarHBondContact O-N 3.4Å; L229-C233 PolarHBondContact O-SG 3.05Å
230R91.3Very high89.8Confident85 Ų8581.8 Ų81.832%0.32144%0.44SS..Hα-helixtrans-56.9-48.3174.1-178.2177.7-62.2143.84111.6I220 K222 P226 F228 C233 L234I220-R230 HydrophobicContact CB-CB 4.48Å; I220-R230 HydrophobicContact CB-CG 4.17Å; I220-R230 PolarHBondContact O-NE 3.01Å; I220-R230 PolarHBondContact O-NH2 3.18Å; K222-R230 PolarHBondContact O-NH2 3.43Å; P226-R230 PolarHBondContact O-N 2.91Å; P226-R230 VanDerWaalsContact O-N 3.12Å; F228-R230 VanDerWaalsContact C-N 3.33Å; F228-R230 PolarHBondContact O-N 3.36Å; R230-C233 PolarHBondContact O-N 2.8Å; R230-L234 HydrophobicContact CG-CD1 4.09Å; R230-L234 WeakPolarHBondContact O-CG 3.49Å; R230-L234 PolarHBondContact O-N 3.32Å
231R91.3Very high89.5Confident184 Ų18484.3 Ų84.369%0.69446%0.458SS*.Hα-helixtrans-63.1-43178.6-73.1176.3-176.3-178.11.9112.5A227 F228 L229 S235A227-R231 WeakPolarHBondContact O-CG 3.46Å; A227-R231 PolarHBondContact O-N 3.04Å; F228-R231 PolarHBondContact O-N 2.82Å; L229-R231 PolarHBondContact O-N 3.31Å; R231-S235 WeakPolarHBondContact O-CB 3.4Å; R231-S235 PolarHBondContact O-N 3.45Å; R231-S235 PolarHBondContact O-OG 2.98Å
232M90.9Very high89.4Confident94 Ų9487.5 Ų87.546%0.46346%0.462SS..Hα-helixtrans-60.6-49.9176.2-77-169.771.200111.5F228 L229 L234 S235 S236F228-M232 HydrophobicContact CD1-SD 4.11Å; F228-M232 HydrophobicContact CE1-CG 4.2Å; F228-M232 HydrophobicContact CE1-SD 3.28Å; F228-M232 WeakPolarHBondContact CE1-SD 3.4Å; F228-M232 HydrophobicContact CE2-CG 4.14Å; F228-M232 HydrophobicContact CE2-SD 4.04Å; F228-M232 HydrophobicContact CZ-CG 3.94Å; F228-M232 HydrophobicContact CZ-SD 3.24Å; F228-M232 WeakPolarHBondContact CZ-SD 3.46Å; F228-M232 PolarHBondContact O-N 2.64Å; L229-M232 PolarHBondContact O-N 3.41Å; M232-L234 PolarHBondContact O-N 3.47Å; M232-S235 PolarHBondContact O-N 3.28Å; M232-S236 PolarHBondContact O-N 3.32Å; M232-S236 PolarHBondContact O-OG 3.08Å; M232-S236 VanDerWaalsContact O-OG 3.13Å
233C90.4Very high89.2Confident21 Ų2185.7 Ų85.714%0.14246%0.457CS..Hα-helixtrans-61.8-44.9-178.3-66.60000112L216 I220 L229 R230 S235 S236 I237L216-C233 HydrophobicContact CD1-CB 4.05Å; L216-C233 HydrophobicContact CD2-CB 4.12Å; L216-C233 HydrophobicContact CG-CB 4.02Å; I220-C233 HydrophobicContact CG2-CB 3.55Å; L229-C233 WeakPolarHBondContact O-CB 3.5Å; L229-C233 PolarHBondContact O-N 3.4Å; L229-C233 PolarHBondContact O-SG 3.05Å; R230-C233 PolarHBondContact O-N 2.8Å; C233-S235 VanDerWaalsContact C-N 3.32Å; C233-S235 PolarHBondContact O-N 3.1Å; C233-S236 PolarHBondContact O-N 3.44Å; C233-I237 VanDerWaalsContact O-CG1 3.3Å; C233-I237 WeakPolarHBondContact O-CG1 3.11Å; C233-I237 PolarHBondContact O-N 3.4Å
234L91.2Very high89.1Confident85 Ų8581.1 Ų81.145%0.44543%0.431SS..Hα-helixtrans-61.1-41.2176.2-72172.6000112I220 R230 M232 I237 A238I220-L234 HydrophobicContact CD1-CD1 4.45Å; I220-L234 HydrophobicContact CD1-CD2 3.44Å; I220-L234 VanDerWaalsContact CD1-CD2 3.44Å; I220-L234 HydrophobicContact CD1-CG 3.71Å; R230-L234 HydrophobicContact CG-CD1 4.09Å; R230-L234 WeakPolarHBondContact O-CG 3.49Å; R230-L234 PolarHBondContact O-N 3.32Å; M232-L234 PolarHBondContact O-N 3.47Å; L234-I237 PolarHBondContact O-N 3.46Å; L234-A238 WeakPolarHBondContact O-CB 3.37Å; L234-A238 PolarHBondContact O-N 3.31Å
235S90.7Very high88.6Confident80 Ų8077.8 Ų77.856%0.55941%0.406SS*.Hα-helixtrans-64.4-42.3176.5-59.30000111.6R231 M232 C233 A238 F239R231-S235 WeakPolarHBondContact O-CB 3.4Å; R231-S235 PolarHBondContact O-N 3.45Å; R231-S235 PolarHBondContact O-OG 2.98Å; M232-S235 PolarHBondContact O-N 3.28Å; C233-S235 VanDerWaalsContact C-N 3.32Å; C233-S235 PolarHBondContact O-N 3.1Å; S235-A238 PolarHBondContact O-N 3Å; S235-F239 WeakPolarHBondContact O-CB 3.26Å; S235-F239 PolarHBondContact O-N 2.82Å
236S88.4Confident87.7Confident56 Ų5684 Ų8439%0.39244%0.444SS..Hα-helixtrans-62.8-43.8175.3-630000112.1M232 C233 A238 F239 I240M232-S236 PolarHBondContact O-N 3.32Å; M232-S236 PolarHBondContact O-OG 3.08Å; M232-S236 VanDerWaalsContact O-OG 3.13Å; C233-S236 PolarHBondContact O-N 3.44Å; S236-A238 VanDerWaalsContact C-N 3.35Å; S236-A238 PolarHBondContact O-N 3.26Å; S236-F239 PolarHBondContact O-N 3.17Å; S236-I240 WeakPolarHBondContact O-CB 3.34Å; S236-I240 VanDerWaalsContact O-CG1 3.32Å; S236-I240 WeakPolarHBondContact O-CG1 3.38Å; S236-I240 PolarHBondContact O-N 3.25Å
237I89.5Confident85.9Confident17 Ų1783.8 Ų83.89%0.08746%0.455CS..Hα-helixtrans-59.5-47.9175.3-68.8164.7000109.9R213 L216 E217 C233 L234 F239 S241R213-I237 HydrophobicContact CG-CG2 4.29Å; L216-I237 HydrophobicContact CB-CD1 4.41Å; L216-I237 HydrophobicContact CD2-CD1 3.91Å; L216-I237 HydrophobicContact CD2-CG1 3.77Å; L216-I237 HydrophobicContact CG-CD1 4.14Å; E217-I237 HydrophobicContact CG-CD1 3.85Å; C233-I237 VanDerWaalsContact O-CG1 3.3Å; C233-I237 WeakPolarHBondContact O-CG1 3.11Å; C233-I237 PolarHBondContact O-N 3.4Å; L234-I237 PolarHBondContact O-N 3.46Å; I237-F239 VanDerWaalsContact C-N 3.35Å; I237-F239 PolarHBondContact O-N 3.35Å; I237-S241 WeakPolarHBondContact O-CB 3.44Å; I237-S241 PolarHBondContact O-N 2.9Å; I237-S241 PolarHBondContact O-OG 3.1Å
238A89.7Confident83.6Confident40 Ų4088.3 Ų88.333%0.33148%0.476SS..Hα-helixtrans-61.8-42.8179.200000111.8L234 S235 S236 R242L234-A238 WeakPolarHBondContact O-CB 3.37Å; L234-A238 PolarHBondContact O-N 3.31Å; S235-A238 PolarHBondContact O-N 3Å; S236-A238 VanDerWaalsContact C-N 3.35Å; S236-A238 PolarHBondContact O-N 3.26Å; A238-R242 VanDerWaalsContact O-CG 3.29Å; A238-R242 WeakPolarHBondContact O-CG 3.42Å; A238-R242 PolarHBondContact O-N 3.27Å; A238-R242 VanDerWaalsContact O-N 3.1Å
239F88.7Confident83.2Confident126 Ų12685.7 Ų85.755%0.55347%0.469SS*.Hα-helixtrans-63.7-52.2178.1178.5-104.2000112.1S235 S236 I237 S241 R242 L243S235-F239 WeakPolarHBondContact O-CB 3.26Å; S235-F239 PolarHBondContact O-N 2.82Å; S236-F239 PolarHBondContact O-N 3.17Å; I237-F239 VanDerWaalsContact C-N 3.35Å; I237-F239 PolarHBondContact O-N 3.35Å; F239-S241 VanDerWaalsContact C-N 3.29Å; F239-S241 PolarHBondContact O-N 2.91Å; F239-R242 WeakPolarHBondContact O-CB 3.5Å; F239-R242 PolarHBondContact O-N 3.38Å; F239-R242 VanDerWaalsContact O-N 3.15Å; F239-L243 HydrophobicContact CD1-CD1 4.04Å; F239-L243 HydrophobicContact CE1-CD1 3.46Å; F239-L243 VanDerWaalsContact CE1-CD1 3.46Å; F239-L243 HydrophobicContact CE1-CG 4.41Å; F239-L243 HydrophobicContact CE2-CD1 4.46Å; F239-L243 HydrophobicContact CZ-CD1 3.71Å; F239-L243 HydrophobicContact CZ-CG 4.39Å; F239-L243 PolarHBondContact O-N 2.77Å
240I87.4Confident82.8Confident83 Ų8386.4 Ų86.443%0.42647%0.474SS..Hα-helixtrans-61.8-39.8178.9-65.8169.1000110.6F209 S236 R242 L243 A244F209-I240 HydrophobicContact CE1-CG2 4.31Å; S236-I240 WeakPolarHBondContact O-CB 3.34Å; S236-I240 VanDerWaalsContact O-CG1 3.32Å; S236-I240 WeakPolarHBondContact O-CG1 3.38Å; S236-I240 PolarHBondContact O-N 3.25Å; I240-R242 VanDerWaalsContact C-N 3.28Å; I240-R242 PolarHBondContact O-N 2.72Å; I240-L243 WeakPolarHBondContact O-CB 3.47Å; I240-L243 PolarHBondContact O-N 3.12Å; I240-A244 PolarHBondContact O-N 3Å; I240-A244 VanDerWaalsContact O-N 3.08Å
241S86.7Confident82.4Confident53 Ų5386.5 Ų86.537%0.37148%0.482SS..Hα-helixtrans-64.3-31.6178.3-59.10000112.7I237 F239 L243 A244I237-S241 WeakPolarHBondContact O-CB 3.44Å; I237-S241 PolarHBondContact O-N 2.9Å; I237-S241 PolarHBondContact O-OG 3.1Å; F239-S241 VanDerWaalsContact C-N 3.29Å; F239-S241 PolarHBondContact O-N 2.91Å; S241-L243 VanDerWaalsContact C-N 3.33Å; S241-A244 PolarHBondContact O-N 2.78Å
242R87.1Confident81.8Confident206 Ų20680.8 Ų80.878%0.77747%0.47SS*.Hα-helixtrans-71.3-28.5172.8-70.9172.1-166.1-175.34.2112.9A238 F239 I240 A244A238-R242 VanDerWaalsContact O-CG 3.29Å; A238-R242 WeakPolarHBondContact O-CG 3.42Å; A238-R242 PolarHBondContact O-N 3.27Å; A238-R242 VanDerWaalsContact O-N 3.1Å; F239-R242 WeakPolarHBondContact O-CB 3.5Å; F239-R242 PolarHBondContact O-N 3.38Å; F239-R242 VanDerWaalsContact O-N 3.15Å; I240-R242 VanDerWaalsContact C-N 3.28Å; I240-R242 PolarHBondContact O-N 2.72Å; R242-A244 VanDerWaalsContact C-N 3.34Å
243L85.2Confident81.3Confident66 Ų6679.9 Ų79.935%0.34647%0.47SS..Hα-helixtrans-81.9-15.2177.1-66.5179000113Y190 F239 I240 S241Y190-L243 HydrophobicContact CE2-CB 4.05Å; Y190-L243 PolarHBondContact OH-O 2.93Å; F239-L243 HydrophobicContact CD1-CD1 4.04Å; F239-L243 HydrophobicContact CE1-CD1 3.46Å; F239-L243 VanDerWaalsContact CE1-CD1 3.46Å; F239-L243 HydrophobicContact CE1-CG 4.41Å; F239-L243 HydrophobicContact CE2-CD1 4.46Å; F239-L243 HydrophobicContact CZ-CD1 3.71Å; F239-L243 HydrophobicContact CZ-CG 4.39Å; F239-L243 PolarHBondContact O-N 2.77Å; I240-L243 WeakPolarHBondContact O-CB 3.47Å; I240-L243 PolarHBondContact O-N 3.12Å; S241-L243 VanDerWaalsContact C-N 3.33Å
244A82.6Confident80.6Confident33 Ų3383.9 Ų83.927%0.27349%0.492SS..SBendtrans-67.6136.6175.800000109.8I240 S241 R242 T246I240-A244 PolarHBondContact O-N 3Å; I240-A244 VanDerWaalsContact O-N 3.08Å; S241-A244 PolarHBondContact O-N 2.78Å; R242-A244 VanDerWaalsContact C-N 3.34Å; A244-T246 PolarHBondContact O-N 3.1Å
245P79.6Confident79.9Confident44 Ų4483.8 Ų83.829%0.28650%0.496SS..  trans-61.1131.2176.422.7-29.5000110.1T194 Y197 T198 G247T194-P245 HydrophobicContact CG2-CB 4.24Å; T194-P245 HydrophobicContact CG2-CG 3.98Å; Y197-P245 HydrophobicContact CD1-CG 3.58Å; Y197-P245 HydrophobicContact CE1-CG 4.03Å; T198-P245 HydrophobicContact CG2-CB 4.14Å; T198-P245 HydrophobicContact CG2-CG 3.6Å; P245-G247 PolarHBondContact O-N 3.22Å
246T67.4Low79.1Confident144 Ų14484.1 Ų84.188%0.88349%0.491SS*.SBendtrans-69.9101.6179.450.50000110.1A244A244-T246 PolarHBondContact O-N 3.1Å
247G55.3Low78.3Confident69 Ų6986.4 Ų86.471%0.71150%0.499SS*.  trans74.2123.4166.100000115.8P245P245-G247 PolarHBondContact O-N 3.22Å
248V40.3Very low77.3Confident156 Ų15692.7 Ų92.795%0.94554%0.536SS*.  trans-100.30130.4-175.60000105.9

Retrieved 248 of 248 residues in 771.8 ms (Link to these results)

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