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Adenylosuccinate lyase

Catalyzes two reactions in de novo purine nucleotide biosynthesis. Catalyzes the breakdown of 5-aminoimidazole- (N-succinylocarboxamide) ribotide (SAICAR or 2-[5-amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinate) to 5-aminoimidazole-4-carboxamide ribotide (AICAR or 5-amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide) and fumarate, and of adenylosuccinate (ADS or N(6)-(1,2-dicarboxyethyl)-AMP) to adenosine monophosphate (AMP) and fumarate.

AlphaFold DB (Q2G2S0), UniProt , Accession Q99SX9, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene purB, Length 431 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
1M79.4Confident94.9Very high68 Ų6888.5 Ų88.534%0.33541%0.407SS..  0149.20-174.151.663.200110.3D315 I318 A319M1-D315 WeakPolarHBondContact CA-OD1 3.48Å; M1-D315 WeakPolarHBondContact CB-OD1 3.41Å; M1-D315 HydrophobicContact CE-CB 3.56Å; M1-D315 WeakPolarHBondContact CE-O 3.28Å; M1-D315 PolarHBondContact N-OD1 3.43Å; M1-I318 HydrophobicContact CB-CB 4.09Å; M1-I318 HydrophobicContact CB-CD1 4.03Å; M1-I318 HydrophobicContact CB-CG2 3.83Å; M1-I318 HydrophobicContact CG-CB 4.27Å; M1-I318 HydrophobicContact CG-CG2 3.7Å; M1-A319 HydrophobicContact CE-CB 3.86Å
2I91.6Very high95.2Very high105 Ų10588.2 Ų88.254%0.53841%0.41SS..  trans-74138.3178.156163.5000111.7R4 Y5 S6I2-R4 PolarHBondContact O-N 3.04Å; I2-Y5 HydrophobicContact CD1-CD2 3.61Å; I2-Y5 HydrophobicContact CD1-CE2 3.57Å; I2-Y5 HydrophobicContact CG1-CD2 3.67Å; I2-Y5 HydrophobicContact CG1-CE2 4.17Å; I2-Y5 HydrophobicContact CG1-CG 4.42Å; I2-Y5 PolarHBondContact O-N 3.16Å; I2-S6 PolarHBondContact O-OG 2.95Å
3E94Very high95.4Very high179 Ų17982.5 Ų82.584%0.83639%0.385SS*.G310 helixtrans-46.7-37.5-174.4-170.5-177177.700114Y5 S6E3-Y5 PolarHBondContact O-N 2.85Å; E3-Y5 VanDerWaalsContact O-N 3.15Å; E3-S6 WeakPolarHBondContact O-CB 3.35Å; E3-S6 PolarHBondContact O-N 3.22Å; E3-S6 VanDerWaalsContact O-N 3.1Å
4R95.5Very high95.6Very high197 Ų19780.1 Ų80.174%0.74337%0.37SS*.G310 helixtrans-58.6-28.7179.7-175.7174.7-177.6143.62.3114.5I2I2-R4 PolarHBondContact O-N 3.04Å
5Y97.2Very high95.7Very high54 Ų5478.3 Ų78.321%0.21237%0.368CS..G310 helixtrans-112.420.8-178.7-53.9-41.5000111.8I2 E3 I280 I318 Y322I2-Y5 HydrophobicContact CD1-CD2 3.61Å; I2-Y5 HydrophobicContact CD1-CE2 3.57Å; I2-Y5 HydrophobicContact CG1-CD2 3.67Å; I2-Y5 HydrophobicContact CG1-CE2 4.17Å; I2-Y5 HydrophobicContact CG1-CG 4.42Å; I2-Y5 PolarHBondContact O-N 3.16Å; E3-Y5 PolarHBondContact O-N 2.85Å; E3-Y5 VanDerWaalsContact O-N 3.15Å; Y5-I280 HydrophobicContact CD2-CD1 3.83Å; Y5-I280 HydrophobicContact CE2-CD1 4.1Å; Y5-I280 HydrophobicContact CG-CD1 4.09Å; Y5-I318 WeakPolarHBondContact O-CG2 3.37Å; Y5-Y322 HydrophobicContact CD1-CD1 4.38Å; Y5-Y322 AromaticContact CD1-CE1 3.73Å; Y5-Y322 HydrophobicContact CD1-CE1 3.73Å; Y5-Y322 AromaticContact CD1-CE2 3.93Å; Y5-Y322 HydrophobicContact CD1-CE2 3.93Å; Y5-Y322 AromaticContact CD1-CZ 3.45Å; Y5-Y322 VanDerWaalsContact CD1-CZ 3.45Å; Y5-Y322 WeakPolarHBondContact CD1-OH 3.23Å; Y5-Y322 HydrophobicContact CE1-CE1 4.42Å; Y5-Y322 HydrophobicContact CG-CE1 4.29Å; Y5-Y322 WeakPolarHBondContact O-CB 3.48Å
6S97.5Very high95.8Very high30 Ų3076.9 Ų76.921%0.2136%0.363CS..  trans-119.1109.1-174.5-63.60000109.7I2 E3 S11 I318I2-S6 PolarHBondContact O-OG 2.95Å; E3-S6 WeakPolarHBondContact O-CB 3.35Å; E3-S6 PolarHBondContact O-N 3.22Å; E3-S6 VanDerWaalsContact O-N 3.1Å; S6-S11 WeakPolarHBondContact CB-OG 3.45Å; S6-I318 WeakPolarHBondContact OG-CG2 3.22Å
7R97.9Very high95.9Very high70 Ų7077.2 Ų77.226%0.26436%0.364SS..  trans-76.4141.5168.7-59.8178.158.5-120.6-8.4108.5E9 M10 S11 D321 N325R7-E9 VanDerWaalsContact C-N 3.26Å; R7-E9 IonicContact CZ-OE2 3.48Å; R7-E9 IonicContact NH1-OE2 3.59Å; R7-E9 PolarHBondContact NH1-OE2 3.28Å; R7-E9 IonicContact NH2-OE2 2.68Å; R7-E9 PolarHBondContact NH2-OE2 2.81Å; R7-E9 PolarHBondContact O-N 3.23Å; R7-M10 PolarHBondContact O-N 3.33Å; R7-S11 WeakPolarHBondContact O-CB 3.26Å; R7-S11 PolarHBondContact O-N 2.91Å; R7-S11 PolarHBondContact O-OG 3.26Å; R7-D321 WeakPolarHBondContact CB-OD2 3.43Å; R7-D321 WeakPolarHBondContact CD-OD2 3.38Å; R7-D321 IonicContact CZ-OD1 3.98Å; R7-D321 IonicContact NH1-OD1 3.79Å; R7-D321 PolarHBondContact NH1-OD1 3.38Å; R7-D321 IonicContact NH1-OD2 3.63Å; R7-N325 VanDerWaalsContact CZ-CG 3.47Å; R7-N325 VanDerWaalsContact CZ-OD1 3.22Å; R7-N325 PolarHBondContact NE-OD1 2.81Å; R7-N325 PolarHBondContact NH1-ND2 3.1Å; R7-N325 PolarHBondContact NH1-OD1 3.23Å
8E97.2Very high96Very high150 Ų15075 Ų7570%0.70136%0.355SS*.Hα-helixtrans-54.3-43.2-177.8-174.8-180172.100112.1M10 S11 N12E8-M10 PolarHBondContact O-N 2.84Å; E8-S11 PolarHBondContact O-N 3.39Å; E8-N12 WeakPolarHBondContact O-CB 3.31Å; E8-N12 PolarHBondContact O-N 3.38Å; E8-N12 PolarHBondContact O-ND2 3.38Å; E8-N12 PolarHBondContact O-OD1 2.95Å
9E97.5Very high96.1Very high91 Ų9174.1 Ų74.143%0.42535%0.348SS..Hα-helixtrans-53.1-53.6-179.5-161.8-174.8177.500113R7 I112R7-E9 VanDerWaalsContact C-N 3.26Å; R7-E9 IonicContact CZ-OE2 3.48Å; R7-E9 IonicContact NH1-OE2 3.59Å; R7-E9 PolarHBondContact NH1-OE2 3.28Å; R7-E9 IonicContact NH2-OE2 2.68Å; R7-E9 PolarHBondContact NH2-OE2 2.81Å; R7-E9 PolarHBondContact O-N 3.23Å; E9-I112 HydrophobicContact CB-CD1 4.45Å; E9-I112 HydrophobicContact CG-CD1 3.73Å; E9-I112 HydrophobicContact CG-CG1 4.37Å
10M98.5Very high96.2Very high0 Ų070.4 Ų70.40%033%0.331CS..Hα-helixtrans-75.1-32.1177.9-174.95974.200112.3R7 E8 I13 A109 I112 I113 I318 D321R7-M10 PolarHBondContact O-N 3.33Å; E8-M10 PolarHBondContact O-N 2.84Å; M10-I13 WeakPolarHBondContact O-CB 3.33Å; M10-I13 PolarHBondContact O-N 3.33Å; M10-I13 HydrophobicContact SD-CD1 4.13Å; M10-A109 HydrophobicContact CE-CB 4.09Å; M10-A109 WeakPolarHBondContact CE-O 3.49Å; M10-A109 HydrophobicContact SD-CB 3.6Å; M10-I112 HydrophobicContact CE-CB 3.79Å; M10-I112 HydrophobicContact CE-CD1 4.1Å; M10-I112 HydrophobicContact CE-CG2 3.87Å; M10-I112 HydrophobicContact SD-CD1 4.42Å; M10-I113 HydrophobicContact CE-CD1 4.09Å; M10-I113 HydrophobicContact CE-CG1 3.75Å; M10-I318 HydrophobicContact CG-CB 4.3Å; M10-I318 HydrophobicContact CG-CG1 3.76Å; M10-D321 HydrophobicContact CB-CB 4.03Å; M10-D321 VanDerWaalsContact CB-OD2 3.28Å; M10-D321 WeakPolarHBondContact CB-OD2 3.11Å; M10-D321 HydrophobicContact CE-CB 3.79Å; M10-D321 HydrophobicContact CG-CB 4.03Å
11S97.8Very high96.3Very high30 Ų3070.9 Ų70.921%0.2133%0.333CS..Hα-helixtrans-68.3-36.5-178.9-54.90000112.2S6 R7 E8 I13 W14S6-S11 WeakPolarHBondContact CB-OG 3.45Å; R7-S11 WeakPolarHBondContact O-CB 3.26Å; R7-S11 PolarHBondContact O-N 2.91Å; R7-S11 PolarHBondContact O-OG 3.26Å; E8-S11 PolarHBondContact O-N 3.39Å; S11-I13 PolarHBondContact O-N 3.01Å; S11-W14 PolarHBondContact O-N 3.17Å; S11-W14 VanDerWaalsContact O-N 3.09Å
12N97.7Very high97.3Very high84 Ų8467.7 Ų67.745%0.44932%0.318SS..Hα-helixtrans-60.5-32.1179-74.6-13.7000112.3E8 W14 T15E8-N12 WeakPolarHBondContact O-CB 3.31Å; E8-N12 PolarHBondContact O-N 3.38Å; E8-N12 PolarHBondContact O-ND2 3.38Å; E8-N12 PolarHBondContact O-OD1 2.95Å; N12-W14 VanDerWaalsContact C-N 3.3Å; N12-W14 PolarHBondContact O-N 3.26Å; N12-T15 WeakPolarHBondContact O-CG2 3.37Å; N12-T15 PolarHBondContact O-N 3.26Å; N12-T15 PolarHBondContact O-OG1 3.06Å
13I98.5Very high97.6Very high15 Ų1563 Ų638%0.07729%0.293CS..Hα-helixtrans-63.2-36.6176.5-66.6174.7000111.6M10 S11 N18 V105 Q108 A109 I112M10-I13 WeakPolarHBondContact O-CB 3.33Å; M10-I13 PolarHBondContact O-N 3.33Å; M10-I13 HydrophobicContact SD-CD1 4.13Å; S11-I13 PolarHBondContact O-N 3.01Å; I13-N18 PolarHBondContact O-ND2 2.98Å; I13-V105 HydrophobicContact CG2-CG1 3.57Å; I13-Q108 HydrophobicContact CD1-CB 3.82Å; I13-Q108 HydrophobicContact CG1-CB 4.19Å; I13-Q108 HydrophobicContact CG2-CB 4.17Å; I13-A109 HydrophobicContact CD1-CB 4.39Å; I13-A109 HydrophobicContact CG2-CB 4.44Å; I13-I112 HydrophobicContact CD1-CD1 3.38Å; I13-I112 HydrophobicContact CD1-CG1 4.36Å; I13-I112 HydrophobicContact CG1-CD1 4.49Å
14W98.2Very high97.8Very high48 Ų4854.9 Ų54.918%0.18226%0.255CS..THydrogen-bonded Turntrans-94.714-175.4-63.9107000114S11 N12 L102 V105 I106 A109 L313 P314 T317 I318S11-W14 PolarHBondContact O-N 3.17Å; S11-W14 VanDerWaalsContact O-N 3.09Å; N12-W14 VanDerWaalsContact C-N 3.3Å; N12-W14 PolarHBondContact O-N 3.26Å; W14-L102 HydrophobicContact CH2-CD1 4.27Å; W14-L102 HydrophobicContact CZ3-CD1 3.98Å; W14-V105 HydrophobicContact CD2-CG1 4.35Å; W14-V105 HydrophobicContact CE3-CG1 3.92Å; W14-V105 HydrophobicContact CH2-CG1 4.07Å; W14-V105 HydrophobicContact CZ2-CG1 4.48Å; W14-V105 HydrophobicContact CZ3-CG1 3.77Å; W14-I106 HydrophobicContact CH2-CG1 4.08Å; W14-A109 HydrophobicContact CZ2-CB 4.45Å; W14-L313 HydrophobicContact CH2-CB 3.63Å; W14-L313 HydrophobicContact CZ2-CB 4.25Å; W14-L313 HydrophobicContact CZ3-CB 4.07Å; W14-P314 HydrophobicContact CB-CB 4.03Å; W14-P314 HydrophobicContact CB-CG 4.34Å; W14-P314 HydrophobicContact CD2-CB 3.89Å; W14-P314 HydrophobicContact CD2-CG 3.84Å; W14-P314 HydrophobicContact CE3-CB 4.26Å; W14-P314 HydrophobicContact CE3-CG 3.67Å; W14-P314 HydrophobicContact CG-CB 3.77Å; W14-P314 HydrophobicContact CG-CG 4.14Å; W14-P314 HydrophobicContact CZ3-CG 4.25Å; W14-T317 VanDerWaalsContact CE2-OG1 3.32Å; W14-T317 HydrophobicContact CZ2-CG2 4.15Å; W14-T317 WeakPolarHBondContact CZ2-OG1 3.49Å; W14-T317 PolarHBondContact NE1-OG1 3.29Å; W14-I318 HydrophobicContact CG-CD1 4.49Å
15T97.5Very high98Very high54 Ų5448.4 Ų48.433%0.33123%0.234SC..SBendtrans-72.8150.4174.160.60000111.4N12 Q17 N18 R19N12-T15 WeakPolarHBondContact O-CG2 3.37Å; N12-T15 PolarHBondContact O-N 3.26Å; N12-T15 PolarHBondContact O-OG1 3.06Å; T15-Q17 PolarHBondContact O-N 2.8Å; T15-N18 PolarHBondContact O-N 3.02Å; T15-N18 WeakPolarHBondContact OG1-CB 3.41Å; T15-N18 PolarHBondContact OG1-N 3.39Å; T15-R19 PolarHBondContact O-N 3.38Å
16D96.5Very high98Very high55 Ų5545.9 Ų45.929%0.29422%0.223SC..Hα-helixtrans-59.3-33172.9-81.8-11.4000111.8R19 Y20 V56 Q60D16-R19 PolarHBondContact O-N 2.96Å; D16-R19 IonicContact OD1-CZ 3.92Å; D16-R19 IonicContact OD1-NE 3.51Å; D16-R19 IonicContact OD1-NH1 2.97Å; D16-R19 PolarHBondContact OD1-NH1 3.46Å; D16-R19 IonicContact OD1-NH2 2.75Å; D16-R19 PolarHBondContact OD1-NH2 3.24Å; D16-R19 IonicContact OD2-NH2 3.33Å; D16-Y20 PolarHBondContact O-N 3.48Å; D16-V56 HydrophobicContact CB-CG1 3.76Å; D16-V56 HydrophobicContact CB-CG2 4.44Å; D16-Q60 PolarHBondContact OD2-NE2 3.28Å
17Q97.8Very high98.1Very high83 Ų8344.6 Ų44.639%0.38821%0.214SC..Hα-helixtrans-59.4-56173.5-173.967.939.600110.6T15 R19 Y20 E21 V56T15-Q17 PolarHBondContact O-N 2.8Å; Q17-R19 VanDerWaalsContact C-N 3.28Å; Q17-R19 PolarHBondContact O-N 3.25Å; Q17-Y20 PolarHBondContact O-N 2.99Å; Q17-E21 HydrophobicContact CG-CG 4.39Å; Q17-E21 PolarHBondContact NE2-OE1 3.47Å; Q17-E21 VanDerWaalsContact O-CG 3.27Å; Q17-E21 WeakPolarHBondContact O-CG 3.35Å; Q17-E21 PolarHBondContact O-N 3.37Å; Q17-V56 HydrophobicContact CB-CG2 4.2Å; Q17-V56 VanDerWaalsContact OE1-CG2 3.27Å
18N98.3Very high98.1Very high37 Ų3741.6 Ų41.620%0.19820%0.204CC..Hα-helixtrans-63-35.5-179.3-169.958.2000112.1I13 T15 E21 A22 Q108I13-N18 PolarHBondContact O-ND2 2.98Å; T15-N18 PolarHBondContact O-N 3.02Å; T15-N18 WeakPolarHBondContact OG1-CB 3.41Å; T15-N18 PolarHBondContact OG1-N 3.39Å; N18-E21 PolarHBondContact O-N 2.97Å; N18-A22 WeakPolarHBondContact O-CB 3.46Å; N18-A22 PolarHBondContact O-N 3.07Å; N18-Q108 PolarHBondContact ND2-OE1 3.33Å
19R97.9Very high98.2Very high58 Ų5834.7 Ų34.722%0.21917%0.171CC..Hα-helixtrans-59.2-50.9173.9-175.9-177.372.4-144.8-3.5111.8T15 D16 Q17 A22 W23T15-R19 PolarHBondContact O-N 3.38Å; D16-R19 PolarHBondContact O-N 2.96Å; D16-R19 IonicContact OD1-CZ 3.92Å; D16-R19 IonicContact OD1-NE 3.51Å; D16-R19 IonicContact OD1-NH1 2.97Å; D16-R19 PolarHBondContact OD1-NH1 3.46Å; D16-R19 IonicContact OD1-NH2 2.75Å; D16-R19 PolarHBondContact OD1-NH2 3.24Å; D16-R19 IonicContact OD2-NH2 3.33Å; Q17-R19 VanDerWaalsContact C-N 3.28Å; Q17-R19 PolarHBondContact O-N 3.25Å; R19-A22 PolarHBondContact O-N 3.37Å; R19-W23 HydrophobicContact CG-CZ2 4.35Å; R19-W23 PolarHBondContact O-N 3.43Å
20Y98.2Very high98.3Very high0 Ų030.5 Ų30.50%015%0.152CC..Hα-helixtrans-72-30.9-179.4-70.3-21.6000112.8D16 Q17 A22 W23 L24 V54 V56 A59 F73D16-Y20 PolarHBondContact O-N 3.48Å; Q17-Y20 PolarHBondContact O-N 2.99Å; Y20-A22 VanDerWaalsContact C-N 3.34Å; Y20-W23 HydrophobicContact CD1-CD2 4.15Å; Y20-W23 AromaticContact CD1-CE3 3.76Å; Y20-W23 HydrophobicContact CD1-CE3 3.76Å; Y20-W23 AromaticContact CD1-CZ3 3.99Å; Y20-W23 HydrophobicContact CD1-CZ3 3.99Å; Y20-W23 AromaticContact CE1-CE3 3.98Å; Y20-W23 HydrophobicContact CE1-CE3 3.98Å; Y20-W23 HydrophobicContact CE1-CH2 4.13Å; Y20-W23 AromaticContact CE1-CZ3 3.7Å; Y20-W23 HydrophobicContact CE1-CZ3 3.7Å; Y20-W23 PolarHBondContact O-N 2.87Å; Y20-L24 WeakPolarHBondContact O-CB 3.35Å; Y20-L24 PolarHBondContact O-N 3.42Å; Y20-V54 VanDerWaalsContact CB-CG1 3.48Å; Y20-V54 HydrophobicContact CD2-CG1 4.09Å; Y20-V54 HydrophobicContact CG-CG1 4.31Å; Y20-V56 HydrophobicContact CD2-CB 4.2Å; Y20-V56 HydrophobicContact CD2-CG1 4.36Å; Y20-V56 HydrophobicContact CD2-CG2 3.74Å; Y20-V56 HydrophobicContact CE2-CB 4.28Å; Y20-V56 HydrophobicContact CE2-CG1 4.05Å; Y20-V56 HydrophobicContact CE2-CG2 4.26Å; Y20-A59 HydrophobicContact CD2-CB 4.37Å; Y20-A59 HydrophobicContact CE2-CB 3.71Å; Y20-F73 HydrophobicContact CD1-CD2 4.09Å; Y20-F73 HydrophobicContact CG-CD2 4.12Å; Y20-F73 WeakPolarHBondContact O-CE2 3.38Å
21E98.4Very high98.3Very high80 Ų8030.6 Ų30.637%0.37415%0.153SC..Hα-helixtrans-63.8-40.6170.4-68.5-68.3174.200111Q17 N18 W23 L24 E25 V54Q17-E21 HydrophobicContact CG-CG 4.39Å; Q17-E21 PolarHBondContact NE2-OE1 3.47Å; Q17-E21 VanDerWaalsContact O-CG 3.27Å; Q17-E21 WeakPolarHBondContact O-CG 3.35Å; Q17-E21 PolarHBondContact O-N 3.37Å; N18-E21 PolarHBondContact O-N 2.97Å; E21-W23 PolarHBondContact O-N 2.9Å; E21-L24 PolarHBondContact O-N 3.11Å; E21-E25 PolarHBondContact O-N 3.05Å; E21-V54 HydrophobicContact CG-CG2 4.31Å
22A98.7Very high98.3Very high2 Ų231 Ų312%0.01715%0.151CC..Hα-helixtrans-64.3-38.7173.800000112.3N18 R19 Y20 L24 E25 V26 A101 F104 V105N18-A22 WeakPolarHBondContact O-CB 3.46Å; N18-A22 PolarHBondContact O-N 3.07Å; R19-A22 PolarHBondContact O-N 3.37Å; Y20-A22 VanDerWaalsContact C-N 3.34Å; A22-L24 VanDerWaalsContact C-N 3.35Å; A22-E25 PolarHBondContact O-N 3.45Å; A22-V26 WeakPolarHBondContact O-CG2 3.39Å; A22-V26 PolarHBondContact O-N 3Å; A22-V26 VanDerWaalsContact O-N 3.16Å; A22-A101 HydrophobicContact CB-CB 3.9Å; A22-F104 HydrophobicContact CB-CD1 3.92Å; A22-F104 HydrophobicContact CB-CE1 4.47Å; A22-V105 HydrophobicContact CB-CG2 3.91Å
23W98.7Very high98.3Very high6 Ų627.1 Ų27.12%0.02313%0.131CC..Hα-helixtrans-63.7-42.9173.3-7013.1000111.1R19 Y20 E21 V26 E27 D69 V70 F73 V97 V98 A101R19-W23 HydrophobicContact CG-CZ2 4.35Å; R19-W23 PolarHBondContact O-N 3.43Å; Y20-W23 HydrophobicContact CD1-CD2 4.15Å; Y20-W23 AromaticContact CD1-CE3 3.76Å; Y20-W23 HydrophobicContact CD1-CE3 3.76Å; Y20-W23 AromaticContact CD1-CZ3 3.99Å; Y20-W23 HydrophobicContact CD1-CZ3 3.99Å; Y20-W23 AromaticContact CE1-CE3 3.98Å; Y20-W23 HydrophobicContact CE1-CE3 3.98Å; Y20-W23 HydrophobicContact CE1-CH2 4.13Å; Y20-W23 AromaticContact CE1-CZ3 3.7Å; Y20-W23 HydrophobicContact CE1-CZ3 3.7Å; Y20-W23 PolarHBondContact O-N 2.87Å; E21-W23 PolarHBondContact O-N 2.9Å; W23-V26 PolarHBondContact O-N 3.5Å; W23-E27 VanDerWaalsContact O-CG 3.3Å; W23-E27 WeakPolarHBondContact O-CG 3.42Å; W23-E27 PolarHBondContact O-N 2.88Å; W23-D69 HydrophobicContact CH2-CB 4.03Å; W23-D69 HydrophobicContact CZ3-CB 4.39Å; W23-V70 HydrophobicContact CE3-CG2 4.39Å; W23-V70 HydrophobicContact CH2-CG2 3.84Å; W23-V70 HydrophobicContact CZ2-CG2 4.47Å; W23-V70 HydrophobicContact CZ3-CB 4.36Å; W23-V70 HydrophobicContact CZ3-CG2 3.8Å; W23-F73 HydrophobicContact CB-CD1 4.24Å; W23-F73 HydrophobicContact CB-CE1 3.69Å; W23-F73 HydrophobicContact CB-CE2 4.08Å; W23-F73 HydrophobicContact CB-CZ 3.61Å; W23-F73 HydrophobicContact CE3-CB 3.8Å; W23-F73 AromaticContact CE3-CD1 3.69Å; W23-F73 HydrophobicContact CE3-CD1 3.69Å; W23-F73 HydrophobicContact CE3-CD2 4.17Å; W23-F73 HydrophobicContact CE3-CE1 4.33Å; W23-F73 AromaticContact CE3-CG 3.61Å; W23-F73 HydrophobicContact CE3-CG 3.61Å; W23-F73 HydrophobicContact CZ3-CB 3.89Å; W23-F73 HydrophobicContact CZ3-CG 4.23Å; W23-V97 HydrophobicContact CB-CG1 3.68Å; W23-V97 HydrophobicContact CD2-CG1 4.24Å; W23-V97 HydrophobicContact CG-CG1 3.73Å; W23-V98 HydrophobicContact CH2-CG2 4.19Å; W23-V98 HydrophobicContact CZ2-CG2 3.68Å; W23-A101 HydrophobicContact CG-CB 4.42Å
24L98.7Very high98.3Very high9 Ų927.5 Ų27.55%0.04713%0.132CC..Hα-helixtrans-63.5-44.1178.4178.959.3000111.5Y20 E21 A22 V26 E27 I28 A52 V54 F73 V77Y20-L24 WeakPolarHBondContact O-CB 3.35Å; Y20-L24 PolarHBondContact O-N 3.42Å; E21-L24 PolarHBondContact O-N 3.11Å; A22-L24 VanDerWaalsContact C-N 3.35Å; L24-V26 VanDerWaalsContact C-N 3.31Å; L24-V26 PolarHBondContact O-N 3.13Å; L24-E27 PolarHBondContact O-N 3.17Å; L24-I28 HydrophobicContact CD1-CD1 3.82Å; L24-I28 HydrophobicContact CD1-CG1 3.94Å; L24-I28 HydrophobicContact CD2-CD1 4.4Å; L24-I28 HydrophobicContact CG-CD1 3.74Å; L24-I28 HydrophobicContact CG-CG1 4.3Å; L24-I28 VanDerWaalsContact O-CG1 3.27Å; L24-I28 WeakPolarHBondContact O-CG1 3.45Å; L24-I28 PolarHBondContact O-N 3.34Å; L24-A52 HydrophobicContact CD1-CB 3.68Å; L24-A52 HydrophobicContact CD2-CB 4.41Å; L24-V54 HydrophobicContact CB-CG2 4.04Å; L24-V54 HydrophobicContact CD2-CG2 3.86Å; L24-F73 HydrophobicContact CB-CE2 4.35Å; L24-F73 HydrophobicContact CB-CZ 3.95Å; L24-V77 HydrophobicContact CD1-CG1 4.1Å; L24-V77 HydrophobicContact CD1-CG2 4.3Å
25E98.7Very high98.3Very high61 Ų6125.7 Ų25.729%0.28513%0.126SC..Hα-helixtrans-60.2-43.3178-171.655.8-142.700111.5E21 A22 E27 I28 L29 R49 L202E21-E25 PolarHBondContact O-N 3.05Å; A22-E25 PolarHBondContact O-N 3.45Å; E25-E27 PolarHBondContact O-N 2.8Å; E25-I28 PolarHBondContact O-N 2.75Å; E25-L29 HydrophobicContact CG-CD1 3.97Å; E25-L29 HydrophobicContact CG-CG 4.43Å; E25-L29 WeakPolarHBondContact O-CB 3.46Å; E25-L29 VanDerWaalsContact O-CG 3.22Å; E25-L29 WeakPolarHBondContact O-CG 3.44Å; E25-L29 PolarHBondContact O-N 2.92Å; E25-L29 WeakPolarHBondContact OE1-CG 3.34Å; E25-R49 IonicContact OE1-CZ 3.78Å; E25-R49 IonicContact OE1-NH1 3.57Å; E25-R49 PolarHBondContact OE1-NH1 3.29Å; E25-R49 IonicContact OE1-NH2 2.71Å; E25-R49 PolarHBondContact OE1-NH2 3.24Å; E25-R49 IonicContact OE2-CZ 3.48Å; E25-R49 IonicContact OE2-NH1 3.47Å; E25-R49 PolarHBondContact OE2-NH1 3.27Å; E25-L202 HydrophobicContact CG-CD2 3.85Å
26V98.8Very high98.4Very high0 Ų028.8 Ų28.80%014%0.137CC..Hα-helixtrans-57.7-48.1174.41660000111.9A22 W23 L24 L29 A30 V97 T100 A101 M180 L202A22-V26 WeakPolarHBondContact O-CG2 3.39Å; A22-V26 PolarHBondContact O-N 3Å; A22-V26 VanDerWaalsContact O-N 3.16Å; W23-V26 PolarHBondContact O-N 3.5Å; L24-V26 VanDerWaalsContact C-N 3.31Å; L24-V26 PolarHBondContact O-N 3.13Å; V26-L29 PolarHBondContact O-N 3.18Å; V26-A30 WeakPolarHBondContact O-CB 3.28Å; V26-A30 PolarHBondContact O-N 3.24Å; V26-V97 HydrophobicContact CG1-CB 4.38Å; V26-V97 HydrophobicContact CG1-CG1 4.29Å; V26-V97 HydrophobicContact CG1-CG2 4.23Å; V26-T100 HydrophobicContact CG2-CG2 4.06Å; V26-A101 HydrophobicContact CG2-CB 4.14Å; V26-M180 HydrophobicContact CG1-CE 3.29Å; V26-M180 HydrophobicContact CG1-SD 4.25Å; V26-L202 HydrophobicContact CG2-CD1 3.77Å
27E98.6Very high98.4Very high4 Ų430.2 Ų30.22%0.01914%0.144CC..Hα-helixtrans-62-43.6-179.9-70.7-78.6-168.700112.3W23 L24 E25 A30 C31 F73 H89 V97W23-E27 VanDerWaalsContact O-CG 3.3Å; W23-E27 WeakPolarHBondContact O-CG 3.42Å; W23-E27 PolarHBondContact O-N 2.88Å; L24-E27 PolarHBondContact O-N 3.17Å; E25-E27 PolarHBondContact O-N 2.8Å; E27-A30 PolarHBondContact O-N 2.75Å; E27-C31 PolarHBondContact O-N 3.28Å; E27-C31 VanDerWaalsContact O-N 3.08Å; E27-C31 PolarHBondContact O-SG 3.41Å; E27-F73 HydrophobicContact CG-CE1 4.06Å; E27-H89 IonicContact OE1-CE1 3.33Å; E27-H89 IonicContact OE1-CG 3.85Å; E27-H89 IonicContact OE1-ND1 3.88Å; E27-H89 PolarHBondContact OE1-ND1 2.9Å; E27-H89 WeakPolarHBondContact OE2-CA 3.37Å; E27-H89 PolarHBondContact OE2-N 3.08Å; E27-H89 IonicContact OE2-ND1 3.89Å; E27-V97 HydrophobicContact CG-CG2 4.38Å; E27-V97 WeakPolarHBondContact OE1-CG2 3.27Å
28I98.7Very high98.4Very high7 Ų729.3 Ų29.34%0.03616%0.157CC..Hα-helixtrans-68.7-43.6-179.6-56.3164.8000110.3L24 E25 A30 C31 E32 I48 R49L24-I28 HydrophobicContact CD1-CD1 3.82Å; L24-I28 HydrophobicContact CD1-CG1 3.94Å; L24-I28 HydrophobicContact CD2-CD1 4.4Å; L24-I28 HydrophobicContact CG-CD1 3.74Å; L24-I28 HydrophobicContact CG-CG1 4.3Å; L24-I28 VanDerWaalsContact O-CG1 3.27Å; L24-I28 WeakPolarHBondContact O-CG1 3.45Å; L24-I28 PolarHBondContact O-N 3.34Å; E25-I28 PolarHBondContact O-N 2.75Å; I28-A30 VanDerWaalsContact C-N 3.27Å; I28-A30 PolarHBondContact O-N 3.17Å; I28-C31 WeakPolarHBondContact O-CB 3.36Å; I28-C31 PolarHBondContact O-N 3.12Å; I28-C31 VanDerWaalsContact O-N 3.13Å; I28-E32 HydrophobicContact CG2-CG 4.46Å; I28-E32 WeakPolarHBondContact O-CG 3.45Å; I28-E32 PolarHBondContact O-N 3.16Å; I28-I48 HydrophobicContact CG1-CG2 4.07Å; I28-I48 HydrophobicContact CG2-CG2 4.5Å; I28-R49 HydrophobicContact CG2-CB 3.89Å; I28-R49 HydrophobicContact CG2-CG 4.41Å
29L98.7Very high98.4Very high4 Ų431.6 Ų31.62%0.02117%0.166CC..Hα-helixtrans-61.3-36176-71.4171.4000111.9E25 V26 E32 A33 Y197 V198 H201 L202E25-L29 HydrophobicContact CG-CD1 3.97Å; E25-L29 HydrophobicContact CG-CG 4.43Å; E25-L29 WeakPolarHBondContact O-CB 3.46Å; E25-L29 VanDerWaalsContact O-CG 3.22Å; E25-L29 WeakPolarHBondContact O-CG 3.44Å; E25-L29 PolarHBondContact O-N 2.92Å; E25-L29 WeakPolarHBondContact OE1-CG 3.34Å; V26-L29 PolarHBondContact O-N 3.18Å; L29-E32 WeakPolarHBondContact CD2-OE2 3.35Å; L29-E32 PolarHBondContact O-N 3.04Å; L29-A33 WeakPolarHBondContact O-CB 3.17Å; L29-A33 PolarHBondContact O-N 2.89Å; L29-Y197 HydrophobicContact CD2-CE1 4.07Å; L29-V198 HydrophobicContact CB-CB 4.31Å; L29-V198 HydrophobicContact CB-CG1 4.07Å; L29-V198 HydrophobicContact CB-CG2 3.85Å; L29-V198 HydrophobicContact CD1-CG1 4.17Å; L29-H201 HydrophobicContact CD1-CB 3.86Å; L29-H201 HydrophobicContact CD2-CB 3.53Å; L29-H201 HydrophobicContact CG-CB 4.35Å; L29-L202 HydrophobicContact CD1-CD1 4.43Å; L29-L202 HydrophobicContact CD1-CD2 3.69Å; L29-L202 HydrophobicContact CD1-CG 3.71Å
30A98.6Very high98.3Very high3 Ų329 Ų293%0.02516%0.157CC..Hα-helixtrans-64.3-43174.300000111.3V26 E27 I28 A33 W34 L92 I194 V198V26-A30 WeakPolarHBondContact O-CB 3.28Å; V26-A30 PolarHBondContact O-N 3.24Å; E27-A30 PolarHBondContact O-N 2.75Å; I28-A30 VanDerWaalsContact C-N 3.27Å; I28-A30 PolarHBondContact O-N 3.17Å; A30-A33 PolarHBondContact O-N 3.09Å; A30-W34 PolarHBondContact O-N 3.01Å; A30-L92 HydrophobicContact CB-CD1 4.15Å; A30-I194 HydrophobicContact CB-CG2 4.18Å; A30-V198 HydrophobicContact CB-CG2 4.21Å
31C98.6Very high98.3Very high2 Ų232 Ų321%0.01418%0.176CC..Hα-helixtrans-63.2-42.1174.6-65.20000112.2E27 I28 W34 S35 I40 V45 I48E27-C31 PolarHBondContact O-N 3.28Å; E27-C31 VanDerWaalsContact O-N 3.08Å; E27-C31 PolarHBondContact O-SG 3.41Å; I28-C31 WeakPolarHBondContact O-CB 3.36Å; I28-C31 PolarHBondContact O-N 3.12Å; I28-C31 VanDerWaalsContact O-N 3.13Å; C31-W34 PolarHBondContact O-N 3.04Å; C31-S35 PolarHBondContact O-N 2.8Å; C31-I40 HydrophobicContact CB-CD1 4.36Å; C31-V45 HydrophobicContact CB-CG1 4.48Å; C31-V45 HydrophobicContact CB-CG2 4.2Å; C31-V45 WeakPolarHBondContact O-CG2 3.41Å; C31-I48 HydrophobicContact CB-CD1 4.31Å
32E98.6Very high98.3Very high39 Ų3934.2 Ų34.218%0.18219%0.185CC..Hα-helixtrans-60.2-46.1174.9-76.1174.7174.300111.7I28 L29 W34 S35 E36 V45 R49 Y197I28-E32 HydrophobicContact CG2-CG 4.46Å; I28-E32 WeakPolarHBondContact O-CG 3.45Å; I28-E32 PolarHBondContact O-N 3.16Å; L29-E32 WeakPolarHBondContact CD2-OE2 3.35Å; L29-E32 PolarHBondContact O-N 3.04Å; E32-W34 PolarHBondContact O-N 3.15Å; E32-S35 WeakPolarHBondContact O-CA 3.3Å; E32-S35 WeakPolarHBondContact O-CB 3.44Å; E32-S35 PolarHBondContact O-N 3.37Å; E32-S35 VanDerWaalsContact O-N 3.08Å; E32-E36 PolarHBondContact O-N 2.71Å; E32-V45 HydrophobicContact CB-CG1 4.17Å; E32-V45 HydrophobicContact CG-CG1 3.29Å; E32-R49 IonicContact OE1-CZ 3.71Å; E32-R49 VanDerWaalsContact OE1-CZ 3.25Å; E32-R49 IonicContact OE1-NE 3.76Å; E32-R49 PolarHBondContact OE1-NE 2.95Å; E32-R49 IonicContact OE1-NH2 2.76Å; E32-R49 PolarHBondContact OE1-NH2 3.11Å; E32-R49 IonicContact OE2-CZ 3.63Å; E32-R49 IonicContact OE2-NH2 2.75Å; E32-R49 PolarHBondContact OE2-NH2 3.31Å; E32-Y197 HydrophobicContact CB-CE1 3.85Å
33A98.4Very high98.3Very high3 Ų336.7 Ų36.73%0.02521%0.205CC..Hα-helixtrans-60.5-45176.600000112.1L29 A30 S35 E36 L37 I194 Y197L29-A33 WeakPolarHBondContact O-CB 3.17Å; L29-A33 PolarHBondContact O-N 2.89Å; A30-A33 PolarHBondContact O-N 3.09Å; A33-S35 PolarHBondContact O-N 2.82Å; A33-E36 PolarHBondContact O-N 3.31Å; A33-E36 VanDerWaalsContact O-N 3.16Å; A33-L37 WeakPolarHBondContact O-CG 3.33Å; A33-L37 PolarHBondContact O-N 3.09Å; A33-I194 VanDerWaalsContact C-CD1 3.44Å; A33-I194 HydrophobicContact CB-CB 4.32Å; A33-I194 HydrophobicContact CB-CD1 3.48Å; A33-I194 VanDerWaalsContact CB-CD1 3.48Å; A33-I194 HydrophobicContact CB-CG1 4.47Å; A33-I194 HydrophobicContact CB-CG2 4.04Å; A33-Y197 HydrophobicContact CB-CD1 3.58Å; A33-Y197 HydrophobicContact CB-CD2 4.22Å; A33-Y197 HydrophobicContact CB-CE1 4.31Å; A33-Y197 HydrophobicContact CB-CG 3.53Å
34W98.5Very high98.3Very high23 Ų2337.7 Ų37.79%0.08721%0.211CC..Hα-helixtrans-62.6-31.6175-86.7118.8000112.6A30 C31 E32 L37 G38 H39 I40 Y90 P191 I194A30-W34 PolarHBondContact O-N 3.01Å; C31-W34 PolarHBondContact O-N 3.04Å; E32-W34 PolarHBondContact O-N 3.15Å; W34-L37 PolarHBondContact O-N 3.3Å; W34-G38 PolarHBondContact O-N 2.56Å; W34-H39 HydrophobicContact CE3-CB 3.6Å; W34-H39 AromaticContact CE3-CD2 3.85Å; W34-H39 AromaticContact CE3-CG 3.86Å; W34-H39 HydrophobicContact CZ3-CB 4.06Å; W34-H39 AromaticContact CZ3-CG 3.98Å; W34-H39 PolarHBondContact O-N 3.17Å; W34-I40 HydrophobicContact CB-CB 4.38Å; W34-I40 HydrophobicContact CB-CD1 3.41Å; W34-I40 VanDerWaalsContact CB-CD1 3.41Å; W34-I40 HydrophobicContact CB-CG1 3.78Å; W34-I40 HydrophobicContact CG-CD1 4Å; W34-I40 PolarHBondContact O-N 2.71Å; W34-Y90 HydrophobicContact CD2-CD1 4.26Å; W34-Y90 HydrophobicContact CD2-CE1 4.44Å; W34-Y90 AromaticContact CE2-CD1 3.7Å; W34-Y90 AromaticContact CE2-CE1 3.98Å; W34-Y90 HydrophobicContact CH2-CD1 4.44Å; W34-Y90 AromaticContact CH2-CE1 3.89Å; W34-Y90 HydrophobicContact CH2-CE1 3.89Å; W34-Y90 AromaticContact CZ2-CD1 3.81Å; W34-Y90 HydrophobicContact CZ2-CD1 3.81Å; W34-Y90 AromaticContact CZ2-CE1 3.69Å; W34-Y90 HydrophobicContact CZ2-CE1 3.69Å; W34-Y90 HydrophobicContact CZ3-CE1 4.38Å; W34-Y90 AromaticContact NE1-CD1 3.79Å; W34-Y90 PolarHBondContact NE1-O 3.33Å; W34-P191 HydrophobicContact CH2-CG 3.78Å; W34-P191 VanDerWaalsContact CZ2-CD 3.43Å; W34-P191 HydrophobicContact CZ2-CG 4.43Å; W34-P191 HydrophobicContact CZ3-CG 3.86Å; W34-I194 HydrophobicContact CB-CD1 4.12Å; W34-I194 HydrophobicContact CD2-CD1 3.72Å; W34-I194 HydrophobicContact CD2-CG1 4.21Å; W34-I194 HydrophobicContact CE3-CD1 4.26Å; W34-I194 HydrophobicContact CG-CD1 3.6Å; W34-I194 HydrophobicContact CG-CG1 4.4Å; W34-I194 VanDerWaalsContact N-CD1 3.27Å
35S98.4Very high98.3Very high9 Ų937.7 Ų37.76%0.06321%0.211CC..Hα-helixtrans-73-35.1174-178.40000112.9C31 E32 A33 L37 G38 I40 K42C31-S35 PolarHBondContact O-N 2.8Å; E32-S35 WeakPolarHBondContact O-CA 3.3Å; E32-S35 WeakPolarHBondContact O-CB 3.44Å; E32-S35 PolarHBondContact O-N 3.37Å; E32-S35 VanDerWaalsContact O-N 3.08Å; A33-S35 PolarHBondContact O-N 2.82Å; S35-L37 VanDerWaalsContact C-N 3.27Å; S35-L37 PolarHBondContact O-N 3.22Å; S35-G38 WeakPolarHBondContact O-CA 3.2Å; S35-G38 PolarHBondContact O-N 2.95Å; S35-I40 WeakPolarHBondContact CA-O 3.11Å; S35-I40 WeakPolarHBondContact CB-O 3.18Å; S35-I40 PolarHBondContact OG-O 2.8Å; S35-I40 VanDerWaalsContact OG-O 3.11Å; S35-K42 VanDerWaalsContact OG-CG 3.22Å; S35-K42 WeakPolarHBondContact OG-CG 3.17Å
36E97.9Very high98.2Very high119 Ų11941.1 Ų41.156%0.55623%0.227SC*.Hα-helixtrans-65.7-30.8171.7-71-57.812700112E32 A33 G38 K42 Y197E32-E36 PolarHBondContact O-N 2.71Å; A33-E36 PolarHBondContact O-N 3.31Å; A33-E36 VanDerWaalsContact O-N 3.16Å; E36-G38 PolarHBondContact O-N 3.18Å; E36-K42 IonicContact OE1-NZ 3.76Å; E36-Y197 HydrophobicContact CG-CE2 4.02Å
37L97.7Very high98.2Very high85 Ų8545.5 Ų45.545%0.44525%0.246SC..THydrogen-bonded Turntrans-78.3-3.1170-60.7-177.4000113.9A33 W34 S35 P191 E193 I194A33-L37 WeakPolarHBondContact O-CG 3.33Å; A33-L37 PolarHBondContact O-N 3.09Å; W34-L37 PolarHBondContact O-N 3.3Å; S35-L37 VanDerWaalsContact C-N 3.27Å; S35-L37 PolarHBondContact O-N 3.22Å; L37-P191 HydrophobicContact CD1-CB 4Å; L37-P191 HydrophobicContact CD1-CG 3.99Å; L37-E193 HydrophobicContact CD1-CB 4.17Å; L37-E193 HydrophobicContact CD2-CB 4.09Å; L37-E193 HydrophobicContact CD2-CG 4.34Å; L37-I194 HydrophobicContact CD1-CD1 3.68Å; L37-I194 HydrophobicContact CD1-CG1 4.26Å; L37-I194 HydrophobicContact CG-CD1 4.44Å
38G97.5Very high98.2Very high64 Ų6445.5 Ų45.566%0.6625%0.246SC*.THydrogen-bonded Turntrans79.310176.900000115.9W34 S35 E36W34-G38 PolarHBondContact O-N 2.56Å; S35-G38 WeakPolarHBondContact O-CA 3.2Å; S35-G38 PolarHBondContact O-N 2.95Å; E36-G38 PolarHBondContact O-N 3.18Å
39H97.5Very high98.2Very high85 Ų8549 Ų4939%0.39426%0.259SS..SBendtrans-83.9-40.5-179.8-171.171.4000112.7W34 Y90W34-H39 HydrophobicContact CE3-CB 3.6Å; W34-H39 AromaticContact CE3-CD2 3.85Å; W34-H39 AromaticContact CE3-CG 3.86Å; W34-H39 HydrophobicContact CZ3-CB 4.06Å; W34-H39 AromaticContact CZ3-CG 3.98Å; W34-H39 PolarHBondContact O-N 3.17Å; H39-Y90 AromaticContact CD2-CE1 3.57Å; H39-Y90 AromaticContact NE2-CE1 3.3Å; H39-Y90 VanDerWaalsContact NE2-CE1 3.3Å; H39-Y90 WeakPolarHBondContact NE2-CE1 3.31Å; H39-Y90 AromaticContact NE2-CZ 3.25Å; H39-Y90 VanDerWaalsContact NE2-CZ 3.25Å; H39-Y90 PolarHBondContact NE2-OH 3.28Å
40I97.7Very high98.1Very high4 Ų455.8 Ų55.82%0.02129%0.291CS..SBendtrans-101.4133.9177.4-61.3175.1000109.6C31 W34 S35 K42 D44 V45 W87C31-I40 HydrophobicContact CB-CD1 4.36Å; W34-I40 HydrophobicContact CB-CB 4.38Å; W34-I40 HydrophobicContact CB-CD1 3.41Å; W34-I40 VanDerWaalsContact CB-CD1 3.41Å; W34-I40 HydrophobicContact CB-CG1 3.78Å; W34-I40 HydrophobicContact CG-CD1 4Å; W34-I40 PolarHBondContact O-N 2.71Å; S35-I40 WeakPolarHBondContact CA-O 3.11Å; S35-I40 WeakPolarHBondContact CB-O 3.18Å; S35-I40 PolarHBondContact OG-O 2.8Å; S35-I40 VanDerWaalsContact OG-O 3.11Å; I40-K42 PolarHBondContact O-N 2.95Å; I40-D44 HydrophobicContact CG2-CB 4.29Å; I40-V45 HydrophobicContact CB-CG2 4.26Å; I40-V45 HydrophobicContact CG2-CG2 3.53Å; I40-W87 HydrophobicContact CD1-CB 3.92Å; I40-W87 HydrophobicContact CD1-CD2 4.17Å; I40-W87 HydrophobicContact CD1-CE3 4.24Å; I40-W87 HydrophobicContact CD1-CG 4.07Å; I40-W87 HydrophobicContact CG1-CD2 3.9Å; I40-W87 HydrophobicContact CG1-CE3 3.93Å; I40-W87 HydrophobicContact CG1-CG 4.21Å; I40-W87 HydrophobicContact CG1-CZ3 4.41Å; I40-W87 HydrophobicContact CG2-CB 4.5Å; I40-W87 HydrophobicContact CG2-CD2 4.12Å; I40-W87 HydrophobicContact CG2-CG 3.89Å
41P98.1Very high98.1Very high63 Ų6358.5 Ų58.541%0.40931%0.305SS..  trans-59.7132.6174.9-2333.6000112.3A43 D44 V45P41-A43 PolarHBondContact O-N 2.93Å; P41-A43 VanDerWaalsContact O-N 3.11Å; P41-D44 HydrophobicContact CB-CB 4.38Å; P41-D44 WeakPolarHBondContact O-CB 3.39Å; P41-D44 PolarHBondContact O-N 3.07Å; P41-V45 PolarHBondContact O-N 3.42Å
42K97.9Very high98.1Very high127 Ų12758.9 Ų58.955%0.55231%0.308SS*.Hα-helixtrans-52.5-36.6176.7-73.3-173.9175-162.70113.3S35 E36 I40 D44 V45 Q46S35-K42 VanDerWaalsContact OG-CG 3.22Å; S35-K42 WeakPolarHBondContact OG-CG 3.17Å; E36-K42 IonicContact OE1-NZ 3.76Å; I40-K42 PolarHBondContact O-N 2.95Å; K42-D44 VanDerWaalsContact C-N 3.33Å; K42-D44 PolarHBondContact O-N 3.41Å; K42-V45 PolarHBondContact O-N 3.06Å; K42-Q46 WeakPolarHBondContact O-CG 3.33Å; K42-Q46 PolarHBondContact O-N 2.89Å
43A98.2Very high98.1Very high54 Ų5463.6 Ų63.645%0.44633%0.328SS..Hα-helixtrans-66.1-33178.300000113P41 K47P41-A43 PolarHBondContact O-N 2.93Å; P41-A43 VanDerWaalsContact O-N 3.11Å; A43-K47 WeakPolarHBondContact O-CG 3.46Å; A43-K47 PolarHBondContact O-N 2.84Å
44D98.4Very high98Very high26 Ų2664.4 Ų64.414%0.13933%0.332CS..Hα-helixtrans-71.7-45.2177.3-73.81.5000109.8I40 P41 K42 Q46 K47 I48 E84 W87I40-D44 HydrophobicContact CG2-CB 4.29Å; P41-D44 HydrophobicContact CB-CB 4.38Å; P41-D44 WeakPolarHBondContact O-CB 3.39Å; P41-D44 PolarHBondContact O-N 3.07Å; K42-D44 VanDerWaalsContact C-N 3.33Å; K42-D44 PolarHBondContact O-N 3.41Å; D44-Q46 PolarHBondContact O-N 3.22Å; D44-K47 WeakPolarHBondContact O-CB 3.26Å; D44-K47 PolarHBondContact O-N 2.81Å; D44-K47 VanDerWaalsContact O-N 3.14Å; D44-I48 WeakPolarHBondContact O-CG1 3.3Å; D44-I48 PolarHBondContact O-N 3.17Å; D44-E84 HydrophobicContact CB-CB 3.86Å; D44-W87 PolarHBondContact OD2-NE1 2.85Å
45V98.1Very high98Very high9 Ų966.8 Ų66.86%0.05535%0.347CS..Hα-helixtrans-61.2-41.7177.1-179.80000112.5C31 E32 I40 P41 K42 K47 I48 R49C31-V45 HydrophobicContact CB-CG1 4.48Å; C31-V45 HydrophobicContact CB-CG2 4.2Å; C31-V45 WeakPolarHBondContact O-CG2 3.41Å; E32-V45 HydrophobicContact CB-CG1 4.17Å; E32-V45 HydrophobicContact CG-CG1 3.29Å; I40-V45 HydrophobicContact CB-CG2 4.26Å; I40-V45 HydrophobicContact CG2-CG2 3.53Å; P41-V45 PolarHBondContact O-N 3.42Å; K42-V45 PolarHBondContact O-N 3.06Å; V45-K47 VanDerWaalsContact C-N 3.29Å; V45-K47 PolarHBondContact O-N 3.02Å; V45-I48 PolarHBondContact O-N 3.17Å; V45-I48 VanDerWaalsContact O-N 3.14Å; V45-R49 PolarHBondContact O-N 3.06Å
46Q98Very high97.9Very high134 Ų13467.4 Ų67.463%0.62635%0.351SS*.Hα-helixtrans-57.7-42.1174.8-76.6175.4-9.800112K42 D44 Q50K42-Q46 WeakPolarHBondContact O-CG 3.33Å; K42-Q46 PolarHBondContact O-N 2.89Å; D44-Q46 PolarHBondContact O-N 3.22Å; Q46-Q50 VanDerWaalsContact O-CB 3.29Å; Q46-Q50 WeakPolarHBondContact O-CB 3.21Å; Q46-Q50 PolarHBondContact O-N 3.26Å
47K98.4Very high97.9Very high92 Ų9268.6 Ų68.640%0.436%0.356SS..Hα-helixtrans-65.1-42.3175.1-70.4169.6-178.5173.70111.7A43 D44 V45 Q50 N51 E84A43-K47 WeakPolarHBondContact O-CG 3.46Å; A43-K47 PolarHBondContact O-N 2.84Å; D44-K47 WeakPolarHBondContact O-CB 3.26Å; D44-K47 PolarHBondContact O-N 2.81Å; D44-K47 VanDerWaalsContact O-N 3.14Å; V45-K47 VanDerWaalsContact C-N 3.29Å; V45-K47 PolarHBondContact O-N 3.02Å; K47-Q50 PolarHBondContact O-N 3.02Å; K47-N51 VanDerWaalsContact O-CB 3.26Å; K47-N51 WeakPolarHBondContact O-CB 3.45Å; K47-N51 PolarHBondContact O-N 3.37Å; K47-N51 PolarHBondContact O-ND2 3.27Å; K47-E84 HydrophobicContact CB-CG 3.95Å
48I98.4Very high97.9Very high3 Ų368.7 Ų68.72%0.01535%0.35CS..Hα-helixtrans-59-54.5177-63.5170.5000109.7I28 C31 D44 V45 Q50 N51 A52 L81 E84 W87I28-I48 HydrophobicContact CG1-CG2 4.07Å; I28-I48 HydrophobicContact CG2-CG2 4.5Å; C31-I48 HydrophobicContact CB-CD1 4.31Å; D44-I48 WeakPolarHBondContact O-CG1 3.3Å; D44-I48 PolarHBondContact O-N 3.17Å; V45-I48 PolarHBondContact O-N 3.17Å; V45-I48 VanDerWaalsContact O-N 3.14Å; I48-Q50 PolarHBondContact O-N 3.22Å; I48-N51 PolarHBondContact O-N 3.16Å; I48-A52 HydrophobicContact CG2-CB 4.23Å; I48-A52 WeakPolarHBondContact O-CB 3.46Å; I48-A52 PolarHBondContact O-N 2.99Å; I48-L81 HydrophobicContact CG1-CD1 4.42Å; I48-L81 HydrophobicContact CG2-CD1 4.41Å; I48-E84 HydrophobicContact CD1-CB 4.33Å; I48-E84 HydrophobicContact CD1-CG 4.47Å; I48-E84 HydrophobicContact CG1-CB 3.98Å; I48-E84 HydrophobicContact CG1-CG 3.62Å; I48-W87 HydrophobicContact CD1-CB 4.08Å
49R98.3Very high97.8Very high81 Ų8165.6 Ų65.631%0.30632%0.319SS..Hα-helixtrans-57.7-35.1179.5-179.466.575.8-173.55.8112.9E25 I28 E32 V45E25-R49 IonicContact OE1-CZ 3.78Å; E25-R49 IonicContact OE1-NH1 3.57Å; E25-R49 PolarHBondContact OE1-NH1 3.29Å; E25-R49 IonicContact OE1-NH2 2.71Å; E25-R49 PolarHBondContact OE1-NH2 3.24Å; E25-R49 IonicContact OE2-CZ 3.48Å; E25-R49 IonicContact OE2-NH1 3.47Å; E25-R49 PolarHBondContact OE2-NH1 3.27Å; I28-R49 HydrophobicContact CG2-CB 3.89Å; I28-R49 HydrophobicContact CG2-CG 4.41Å; E32-R49 IonicContact OE1-CZ 3.71Å; E32-R49 VanDerWaalsContact OE1-CZ 3.25Å; E32-R49 IonicContact OE1-NE 3.76Å; E32-R49 PolarHBondContact OE1-NE 2.95Å; E32-R49 IonicContact OE1-NH2 2.76Å; E32-R49 PolarHBondContact OE1-NH2 3.11Å; E32-R49 IonicContact OE2-CZ 3.63Å; E32-R49 IonicContact OE2-NH2 2.75Å; E32-R49 PolarHBondContact OE2-NH2 3.31Å; V45-R49 PolarHBondContact O-N 3.06Å
50Q97.9Very high97.7Very high146 Ų14665.1 Ų65.168%0.68232%0.317SS*.Hα-helixtrans-79.2-36.4-179.1-174.4178.77.800113.6Q46 K47 I48Q46-Q50 VanDerWaalsContact O-CB 3.29Å; Q46-Q50 WeakPolarHBondContact O-CB 3.21Å; Q46-Q50 PolarHBondContact O-N 3.26Å; K47-Q50 PolarHBondContact O-N 3.02Å; I48-Q50 PolarHBondContact O-N 3.22Å
51N98.2Very high97.7Very high60 Ų6070.1 Ų70.132%0.32134%0.34SS..Hα-helixtrans-114.1-19.1-164.7-60.3-41.1000114.4K47 I48 K53 T80 L81K47-N51 VanDerWaalsContact O-CB 3.26Å; K47-N51 WeakPolarHBondContact O-CB 3.45Å; K47-N51 PolarHBondContact O-N 3.37Å; K47-N51 PolarHBondContact O-ND2 3.27Å; I48-N51 PolarHBondContact O-N 3.16Å; N51-K53 PolarHBondContact O-N 3.1Å; N51-T80 PolarHBondContact O-OG1 3.33Å; N51-L81 HydrophobicContact CB-CD2 3.86Å
52A98Very high97.6Very high11 Ų1167.6 Ų67.69%0.09132%0.323CS..  trans-65.7127178.100000109.9L24 I48 V77 T80 L81L24-A52 HydrophobicContact CD1-CB 3.68Å; L24-A52 HydrophobicContact CD2-CB 4.41Å; I48-A52 HydrophobicContact CG2-CB 4.23Å; I48-A52 WeakPolarHBondContact O-CB 3.46Å; I48-A52 PolarHBondContact O-N 2.99Å; A52-V77 HydrophobicContact CB-CG1 3.96Å; A52-T80 WeakPolarHBondContact CA-OG1 3.43Å; A52-L81 HydrophobicContact CB-CD1 4.27Å; A52-L81 HydrophobicContact CB-CD2 4.08Å; A52-L81 HydrophobicContact CB-CG 4.42Å
53K97.7Very high97.4Very high138 Ų13864.3 Ų64.360%0.631%0.31SS*.  trans-137.7141.9-178.2-66.8-179.3-177.9-178.90111.5N51 Q76 T80N51-K53 PolarHBondContact O-N 3.1Å; K53-Q76 PolarHBondContact O-NE2 2.81Å; K53-T80 HydrophobicContact CB-CG2 4.27Å; K53-T80 PolarHBondContact N-OG1 3.08Å
54V97.9Very high97.3Very high19 Ų1968.9 Ų68.912%0.11532%0.322CS..  trans-79.6133171173.70000110.3Y20 E21 L24 V56 F73Y20-V54 VanDerWaalsContact CB-CG1 3.48Å; Y20-V54 HydrophobicContact CD2-CG1 4.09Å; Y20-V54 HydrophobicContact CG-CG1 4.31Å; E21-V54 HydrophobicContact CG-CG2 4.31Å; L24-V54 HydrophobicContact CB-CG2 4.04Å; L24-V54 HydrophobicContact CD2-CG2 3.86Å; V54-V56 HydrophobicContact CG1-CG2 4.04Å; V54-F73 HydrophobicContact CG2-CE2 4.31Å
55N97.7Very high97Very high74 Ų7475.2 Ų75.240%0.39635%0.351SS..  trans-131.1101.4162.5-178.8-27.6000108.2E57 R58 A59 Q76N55-E57 PolarHBondContact O-N 2.89Å; N55-E57 PolarHBondContact OD1-N 3.03Å; N55-R58 HydrophobicContact CB-CB 3.97Å; N55-R58 PolarHBondContact O-N 3Å; N55-R58 PolarHBondContact OD1-N 3.48Å; N55-A59 PolarHBondContact O-N 3.36Å; N55-Q76 HydrophobicContact CB-CG 4.24Å; N55-Q76 VanDerWaalsContact N-CD 3.29Å
56V96.8Very high96.7Very high22 Ų2276.4 Ų76.413%0.13336%0.358CS..Hα-helixtrans-59.5-47.5-175.6175.40000111.6D16 Q17 Y20 V54 R58 A59 Q60D16-V56 HydrophobicContact CB-CG1 3.76Å; D16-V56 HydrophobicContact CB-CG2 4.44Å; Q17-V56 HydrophobicContact CB-CG2 4.2Å; Q17-V56 VanDerWaalsContact OE1-CG2 3.27Å; Y20-V56 HydrophobicContact CD2-CB 4.2Å; Y20-V56 HydrophobicContact CD2-CG1 4.36Å; Y20-V56 HydrophobicContact CD2-CG2 3.74Å; Y20-V56 HydrophobicContact CE2-CB 4.28Å; Y20-V56 HydrophobicContact CE2-CG1 4.05Å; Y20-V56 HydrophobicContact CE2-CG2 4.26Å; V54-V56 HydrophobicContact CG1-CG2 4.04Å; V56-R58 VanDerWaalsContact C-N 3.33Å; V56-R58 PolarHBondContact O-N 3.23Å; V56-A59 PolarHBondContact O-N 2.73Å; V56-Q60 HydrophobicContact CG1-CG 4.43Å; V56-Q60 WeakPolarHBondContact O-CG 3.34Å; V56-Q60 PolarHBondContact O-N 3.17Å
57E97.3Very high96.4Very high144 Ų14480.9 Ų80.967%0.67337%0.369SS*.Hα-helixtrans-60.1-46.1-178.4-63.8178.6175.400110.6N55 A59 Q60 E61N55-E57 PolarHBondContact O-N 2.89Å; N55-E57 PolarHBondContact OD1-N 3.03Å; E57-A59 PolarHBondContact O-N 2.97Å; E57-Q60 PolarHBondContact O-N 3.14Å; E57-E61 WeakPolarHBondContact O-CG 3.18Å; E57-E61 PolarHBondContact O-N 3.14Å
58R97.5Very high96.1Very high86 Ų8679.8 Ų79.833%0.32537%0.365SS..Hα-helixtrans-65.1-39.2178.7-176.558-178.8152.88.3112.5N55 V56 Q60 E61 I62 Q76 E79N55-R58 HydrophobicContact CB-CB 3.97Å; N55-R58 PolarHBondContact O-N 3Å; N55-R58 PolarHBondContact OD1-N 3.48Å; V56-R58 VanDerWaalsContact C-N 3.33Å; V56-R58 PolarHBondContact O-N 3.23Å; R58-Q60 VanDerWaalsContact C-N 3.35Å; R58-E61 WeakPolarHBondContact CD-OE2 3.19Å; R58-E61 IonicContact CZ-OE2 3.1Å; R58-E61 IonicContact NH1-OE2 2.85Å; R58-E61 PolarHBondContact NH1-OE2 3.05Å; R58-E61 PolarHBondContact O-N 3.41Å; R58-I62 HydrophobicContact CG-CD1 4.24Å; R58-I62 WeakPolarHBondContact O-CG1 3.31Å; R58-I62 PolarHBondContact O-N 3.04Å; R58-I62 VanDerWaalsContact O-N 3.1Å; R58-Q76 HydrophobicContact CB-CG 3.92Å; R58-Q76 HydrophobicContact CG-CG 3.85Å; R58-E79 WeakPolarHBondContact CG-OE2 3.43Å; R58-E79 IonicContact CZ-OE1 2.79Å; R58-E79 IonicContact CZ-OE2 3.52Å; R58-E79 IonicContact NE-OE1 3.86Å; R58-E79 PolarHBondContact NE-OE1 3.43Å; R58-E79 IonicContact NE-OE2 2.67Å; R58-E79 PolarHBondContact NE-OE2 3.28Å; R58-E79 IonicContact NH2-OE1 2.78Å; R58-E79 PolarHBondContact NH2-OE1 2.99Å; R58-E79 IonicContact NH2-OE2 2.81Å
59A96.8Very high95.8Very high0 Ų080.8 Ų80.80%037%0.371CS..Hα-helixtrans-63.6-42.2175.500000111.3Y20 N55 V56 E57 E61 I62 E63 A72 Q76Y20-A59 HydrophobicContact CD2-CB 4.37Å; Y20-A59 HydrophobicContact CE2-CB 3.71Å; N55-A59 PolarHBondContact O-N 3.36Å; V56-A59 PolarHBondContact O-N 2.73Å; E57-A59 PolarHBondContact O-N 2.97Å; A59-E61 PolarHBondContact O-N 3.48Å; A59-I62 PolarHBondContact O-N 3.41Å; A59-E63 WeakPolarHBondContact O-CB 3.19Å; A59-E63 PolarHBondContact O-N 3.44Å; A59-A72 WeakPolarHBondContact O-CB 3.48Å; A59-Q76 HydrophobicContact CB-CB 4.1Å; A59-Q76 HydrophobicContact CB-CG 4.2Å
60Q95.3Very high95.6Very high74 Ų7477 Ų7735%0.34636%0.356SS..Hα-helixtrans-64.5-37.2176.7-71.2174.4-9.800112.6D16 V56 E57 R58 E63 Q64D16-Q60 PolarHBondContact OD2-NE2 3.28Å; V56-Q60 HydrophobicContact CG1-CG 4.43Å; V56-Q60 WeakPolarHBondContact O-CG 3.34Å; V56-Q60 PolarHBondContact O-N 3.17Å; E57-Q60 PolarHBondContact O-N 3.14Å; R58-Q60 VanDerWaalsContact C-N 3.35Å; Q60-E63 PolarHBondContact O-N 2.97Å; Q60-Q64 PolarHBondContact O-N 3.45Å
61E96.5Very high95.4Very high109 Ų10972.2 Ų72.251%0.50934%0.337SS..Hα-helixtrans-60.1-49.5171.9-72.5175.617800111.7E57 R58 A59 E63 Q64E57-E61 WeakPolarHBondContact O-CG 3.18Å; E57-E61 PolarHBondContact O-N 3.14Å; R58-E61 WeakPolarHBondContact CD-OE2 3.19Å; R58-E61 IonicContact CZ-OE2 3.1Å; R58-E61 IonicContact NH1-OE2 2.85Å; R58-E61 PolarHBondContact NH1-OE2 3.05Å; R58-E61 PolarHBondContact O-N 3.41Å; A59-E61 PolarHBondContact O-N 3.48Å; E61-E63 VanDerWaalsContact C-N 3.26Å; E61-E63 PolarHBondContact O-N 2.93Å; E61-Q64 WeakPolarHBondContact O-CB 3.33Å; E61-Q64 PolarHBondContact O-N 3.3Å
62I95.6Very high95.4Very high10 Ų1069.4 Ų69.45%0.05132%0.322CS..Hα-helixtrans-63.2-35.8179-63.8167.3000110.5R58 A59 Q64 E65 T66 A72 R75 Q76R58-I62 HydrophobicContact CG-CD1 4.24Å; R58-I62 WeakPolarHBondContact O-CG1 3.31Å; R58-I62 PolarHBondContact O-N 3.04Å; R58-I62 VanDerWaalsContact O-N 3.1Å; A59-I62 PolarHBondContact O-N 3.41Å; I62-Q64 VanDerWaalsContact C-N 3.26Å; I62-Q64 PolarHBondContact O-N 2.81Å; I62-E65 WeakPolarHBondContact O-CB 3.45Å; I62-E65 PolarHBondContact O-N 3.49Å; I62-T66 HydrophobicContact CG2-CG2 3.74Å; I62-T66 PolarHBondContact O-N 3.38Å; I62-T66 PolarHBondContact O-OG1 3.01Å; I62-A72 HydrophobicContact CB-CB 4.04Å; I62-A72 HydrophobicContact CG2-CB 3.86Å; I62-R75 HydrophobicContact CD1-CB 4.25Å; I62-R75 HydrophobicContact CG2-CB 4.23Å; I62-Q76 HydrophobicContact CD1-CB 3.97Å
63E95.3Very high95.4Very high58 Ų5868.9 Ų68.927%0.27132%0.318SS..Hα-helixtrans-62.2-31.7178.8-168.5178.3171.700112.8A59 Q60 E61 E65 T66 R67 A72A59-E63 WeakPolarHBondContact O-CB 3.19Å; A59-E63 PolarHBondContact O-N 3.44Å; Q60-E63 PolarHBondContact O-N 2.97Å; E61-E63 VanDerWaalsContact C-N 3.26Å; E61-E63 PolarHBondContact O-N 2.93Å; E63-E65 PolarHBondContact O-N 3.21Å; E63-T66 WeakPolarHBondContact CA-OG1 3.34Å; E63-T66 PolarHBondContact O-N 3.46Å; E63-R67 WeakPolarHBondContact O-CA 3.34Å; E63-R67 PolarHBondContact O-N 3.08Å; E63-A72 HydrophobicContact CB-CB 3.7Å; E63-A72 HydrophobicContact CG-CB 4.38Å
64Q95.2Very high95.3Very high151 Ų15163.3 Ų63.371%0.70630%0.295SS*.Hα-helixtrans-59.1-31.8174-61.1-54.2-48.600112.2Q60 E61 I62Q60-Q64 PolarHBondContact O-N 3.45Å; E61-Q64 WeakPolarHBondContact O-CB 3.33Å; E61-Q64 PolarHBondContact O-N 3.3Å; I62-Q64 VanDerWaalsContact C-N 3.26Å; I62-Q64 PolarHBondContact O-N 2.81Å
65E93.2Very high95.2Very high159 Ų15968.7 Ų68.774%0.74331%0.314SS*.Hα-helixtrans-86.7-48.4177.3-60.5-175.8174.200112I62 E63I62-E65 WeakPolarHBondContact O-CB 3.45Å; I62-E65 PolarHBondContact O-N 3.49Å; E63-E65 PolarHBondContact O-N 3.21Å
66T91.2Very high95.2Very high34 Ų3465.4 Ų65.421%0.20930%0.296CS..Hα-helixtrans-76-27.5-172.9630000112.9I62 E63 H68 V71I62-T66 HydrophobicContact CG2-CG2 3.74Å; I62-T66 PolarHBondContact O-N 3.38Å; I62-T66 PolarHBondContact O-OG1 3.01Å; E63-T66 WeakPolarHBondContact CA-OG1 3.34Å; E63-T66 PolarHBondContact O-N 3.46Å; T66-H68 PolarHBondContact O-N 3.19Å; T66-H68 VanDerWaalsContact O-N 3.16Å; T66-H68 PolarHBondContact OG1-N 3.03Å; T66-H68 PolarHBondContact OG1-O 3.43Å; T66-V71 HydrophobicContact CG2-CG1 4.04Å
67R92.3Very high95.2Very high227 Ų22764.4 Ų64.486%0.85729%0.29SS*.SBendtrans51.930.7-169.9-56.1173.9-178.8178-1.1112.2E63E63-R67 WeakPolarHBondContact O-CA 3.34Å; E63-R67 PolarHBondContact O-N 3.08Å
68H90.3Very high95.2Very high70 Ų7058.9 Ų58.932%0.32427%0.267SS..  trans-149.6112179.6-170.7-30.1000109.3T66 V70 V71 A72 S94T66-H68 PolarHBondContact O-N 3.19Å; T66-H68 VanDerWaalsContact O-N 3.16Å; T66-H68 PolarHBondContact OG1-N 3.03Å; T66-H68 PolarHBondContact OG1-O 3.43Å; H68-V70 PolarHBondContact ND1-N 3.27Å; H68-V71 HydrophobicContact CB-CB 4.11Å; H68-V71 HydrophobicContact CB-CG2 4.1Å; H68-V71 PolarHBondContact O-N 3.13Å; H68-A72 WeakPolarHBondContact O-CB 3.09Å; H68-A72 PolarHBondContact O-N 3.38Å; H68-S94 PolarHBondContact CE1-OG 3.38Å; H68-S94 VanDerWaalsContact CE1-OG 3.26Å; H68-S94 PolarHBondContact NE2-OG 2.96Å
69D92.6Very high95.2Very high24 Ų2460 Ų6013%0.12828%0.276CS..Hα-helixtrans-59.2-50.9-174.756.3-3.8000114.2W23 V71 A72 F73 R310W23-D69 HydrophobicContact CH2-CB 4.03Å; W23-D69 HydrophobicContact CZ3-CB 4.39Å; D69-V71 VanDerWaalsContact C-N 3.34Å; D69-V71 PolarHBondContact O-N 3.3Å; D69-A72 WeakPolarHBondContact O-CB 3.26Å; D69-A72 PolarHBondContact O-N 3.2Å; D69-F73 WeakPolarHBondContact O-CB 3.42Å; D69-F73 PolarHBondContact O-N 3.24Å; D69-R310 IonicContact OD2-CZ 2.67Å; D69-R310 IonicContact OD2-NH2 3.73Å; D69-R310 PolarHBondContact OD2-NH2 3.11Å
70V94.4Very high95.2Very high1 Ų162.3 Ų62.31%0.00629%0.29CS..Hα-helixtrans-64.7-37.3179.8-177.40000112W23 H68 A72 F73 T74 V98W23-V70 HydrophobicContact CE3-CG2 4.39Å; W23-V70 HydrophobicContact CH2-CG2 3.84Å; W23-V70 HydrophobicContact CZ2-CG2 4.47Å; W23-V70 HydrophobicContact CZ3-CB 4.36Å; W23-V70 HydrophobicContact CZ3-CG2 3.8Å; H68-V70 PolarHBondContact ND1-N 3.27Å; V70-A72 VanDerWaalsContact C-N 3.35Å; V70-F73 PolarHBondContact O-N 3.48Å; V70-T74 HydrophobicContact CG1-CG2 4.25Å; V70-T74 VanDerWaalsContact O-CG2 3.3Å; V70-T74 WeakPolarHBondContact O-CG2 3.4Å; V70-T74 PolarHBondContact O-N 3.41Å; V70-T74 PolarHBondContact O-OG1 3.44Å; V70-V98 HydrophobicContact CG2-CG2 3.49Å; V70-V98 VanDerWaalsContact CG2-CG2 3.49Å
71V94.6Very high95.4Very high46 Ų4659.6 Ų59.628%0.27928%0.278SS..Hα-helixtrans-66.8-39.4174.71770000110.9T66 H68 D69 T74 R75T66-V71 HydrophobicContact CG2-CG1 4.04Å; H68-V71 HydrophobicContact CB-CB 4.11Å; H68-V71 HydrophobicContact CB-CG2 4.1Å; H68-V71 PolarHBondContact O-N 3.13Å; D69-V71 VanDerWaalsContact C-N 3.34Å; D69-V71 PolarHBondContact O-N 3.3Å; V71-T74 PolarHBondContact O-OG1 2.99Å; V71-R75 HydrophobicContact CG1-CG 4.47Å; V71-R75 VanDerWaalsContact O-CB 3.31Å; V71-R75 WeakPolarHBondContact O-CB 3.31Å; V71-R75 VanDerWaalsContact O-CG 3.23Å; V71-R75 WeakPolarHBondContact O-CG 3.36Å; V71-R75 PolarHBondContact O-N 2.76Å
72A96.7Very high95.4Very high0 Ų056.2 Ų56.20%027%0.272CS..Hα-helixtrans-64.2-44.1176.300000111.6A59 I62 E63 H68 D69 V70 Q76A59-A72 WeakPolarHBondContact O-CB 3.48Å; I62-A72 HydrophobicContact CB-CB 4.04Å; I62-A72 HydrophobicContact CG2-CB 3.86Å; E63-A72 HydrophobicContact CB-CB 3.7Å; E63-A72 HydrophobicContact CG-CB 4.38Å; H68-A72 WeakPolarHBondContact O-CB 3.09Å; H68-A72 PolarHBondContact O-N 3.38Å; D69-A72 WeakPolarHBondContact O-CB 3.26Å; D69-A72 PolarHBondContact O-N 3.2Å; V70-A72 VanDerWaalsContact C-N 3.35Å; A72-Q76 WeakPolarHBondContact O-CB 3.38Å; A72-Q76 PolarHBondContact O-N 3.2Å
73F97.7Very high95.5Very high0 Ų063.5 Ų63.50%031%0.306CS..Hα-helixtrans-60.4-52.4174.8165.1-102.6000112.5Y20 W23 L24 E27 V54 D69 V70 R75 Q76 V77Y20-F73 HydrophobicContact CD1-CD2 4.09Å; Y20-F73 HydrophobicContact CG-CD2 4.12Å; Y20-F73 WeakPolarHBondContact O-CE2 3.38Å; W23-F73 HydrophobicContact CB-CD1 4.24Å; W23-F73 HydrophobicContact CB-CE1 3.69Å; W23-F73 HydrophobicContact CB-CE2 4.08Å; W23-F73 HydrophobicContact CB-CZ 3.61Å; W23-F73 HydrophobicContact CE3-CB 3.8Å; W23-F73 AromaticContact CE3-CD1 3.69Å; W23-F73 HydrophobicContact CE3-CD1 3.69Å; W23-F73 HydrophobicContact CE3-CD2 4.17Å; W23-F73 HydrophobicContact CE3-CE1 4.33Å; W23-F73 AromaticContact CE3-CG 3.61Å; W23-F73 HydrophobicContact CE3-CG 3.61Å; W23-F73 HydrophobicContact CZ3-CB 3.89Å; W23-F73 HydrophobicContact CZ3-CG 4.23Å; L24-F73 HydrophobicContact CB-CE2 4.35Å; L24-F73 HydrophobicContact CB-CZ 3.95Å; E27-F73 HydrophobicContact CG-CE1 4.06Å; V54-F73 HydrophobicContact CG2-CE2 4.31Å; D69-F73 WeakPolarHBondContact O-CB 3.42Å; D69-F73 PolarHBondContact O-N 3.24Å; V70-F73 PolarHBondContact O-N 3.48Å; F73-R75 VanDerWaalsContact C-N 3.29Å; F73-R75 PolarHBondContact O-N 3.27Å; F73-Q76 WeakPolarHBondContact O-CB 3.31Å; F73-Q76 PolarHBondContact O-N 3.1Å; F73-Q76 VanDerWaalsContact O-N 3.11Å; F73-V77 HydrophobicContact CD2-CG2 4.1Å; F73-V77 HydrophobicContact CE1-CG2 4.37Å; F73-V77 HydrophobicContact CE2-CG2 3.62Å; F73-V77 HydrophobicContact CZ-CG2 3.75Å; F73-V77 WeakPolarHBondContact O-CG2 3.26Å; F73-V77 PolarHBondContact O-N 3.49Å
74T96.4Very high95.6Very high22 Ų2261.2 Ų61.214%0.13530%0.296CS..Hα-helixtrans-65.5-33.5-178.558.30000112.3V70 V71 S78 V88 H89V70-T74 HydrophobicContact CG1-CG2 4.25Å; V70-T74 VanDerWaalsContact O-CG2 3.3Å; V70-T74 WeakPolarHBondContact O-CG2 3.4Å; V70-T74 PolarHBondContact O-N 3.41Å; V70-T74 PolarHBondContact O-OG1 3.44Å; V71-T74 PolarHBondContact O-OG1 2.99Å; T74-S78 VanDerWaalsContact O-CB 3.28Å; T74-S78 WeakPolarHBondContact O-CB 3.46Å; T74-S78 PolarHBondContact O-N 2.75Å; T74-S78 PolarHBondContact O-OG 2.88Å; T74-V88 HydrophobicContact CG2-CG1 4.37Å; T74-H89 HydrophobicContact CG2-CB 4.16Å
75R96.2Very high95.7Very high132 Ų13260.5 Ų60.550%0.49829%0.286SS..Hα-helixtrans-65.1-45.7170.6-76.8-180178.1-162.40.9111.9I62 V71 F73 V77 S78 E79I62-R75 HydrophobicContact CD1-CB 4.25Å; I62-R75 HydrophobicContact CG2-CB 4.23Å; V71-R75 HydrophobicContact CG1-CG 4.47Å; V71-R75 VanDerWaalsContact O-CB 3.31Å; V71-R75 WeakPolarHBondContact O-CB 3.31Å; V71-R75 VanDerWaalsContact O-CG 3.23Å; V71-R75 WeakPolarHBondContact O-CG 3.36Å; V71-R75 PolarHBondContact O-N 2.76Å; F73-R75 VanDerWaalsContact C-N 3.29Å; F73-R75 PolarHBondContact O-N 3.27Å; R75-V77 PolarHBondContact O-N 3.02Å; R75-S78 WeakPolarHBondContact O-CB 3.28Å; R75-S78 PolarHBondContact O-N 2.85Å; R75-S78 VanDerWaalsContact O-N 3.17Å; R75-E79 PolarHBondContact O-N 2.77Å; R75-E79 VanDerWaalsContact O-N 3.13Å
76Q97.7Very high96Very high4 Ų458.6 Ų58.62%0.01928%0.276CS..Hα-helixtrans-58.8-48.5176.2-177.7-84.7-69.800111K53 N55 R58 A59 I62 A72 F73 S78 E79K53-Q76 PolarHBondContact O-NE2 2.81Å; N55-Q76 HydrophobicContact CB-CG 4.24Å; N55-Q76 VanDerWaalsContact N-CD 3.29Å; R58-Q76 HydrophobicContact CB-CG 3.92Å; R58-Q76 HydrophobicContact CG-CG 3.85Å; A59-Q76 HydrophobicContact CB-CB 4.1Å; A59-Q76 HydrophobicContact CB-CG 4.2Å; I62-Q76 HydrophobicContact CD1-CB 3.97Å; A72-Q76 WeakPolarHBondContact O-CB 3.38Å; A72-Q76 PolarHBondContact O-N 3.2Å; F73-Q76 WeakPolarHBondContact O-CB 3.31Å; F73-Q76 PolarHBondContact O-N 3.1Å; F73-Q76 VanDerWaalsContact O-N 3.11Å; Q76-S78 VanDerWaalsContact C-N 3.26Å; Q76-S78 PolarHBondContact O-N 2.91Å; Q76-E79 WeakPolarHBondContact O-CB 3.46Å; Q76-E79 PolarHBondContact O-N 3.49Å; Q76-E79 VanDerWaalsContact O-N 3.07Å
77V97.3Very high96.3Very high2 Ų258.9 Ų58.91%0.01227%0.273CS..Hα-helixtrans-61.3-38.3177172.60000110.8L24 A52 F73 R75 E79 T80 L81L24-V77 HydrophobicContact CD1-CG1 4.1Å; L24-V77 HydrophobicContact CD1-CG2 4.3Å; A52-V77 HydrophobicContact CB-CG1 3.96Å; F73-V77 HydrophobicContact CD2-CG2 4.1Å; F73-V77 HydrophobicContact CE1-CG2 4.37Å; F73-V77 HydrophobicContact CE2-CG2 3.62Å; F73-V77 HydrophobicContact CZ-CG2 3.75Å; F73-V77 WeakPolarHBondContact O-CG2 3.26Å; F73-V77 PolarHBondContact O-N 3.49Å; R75-V77 PolarHBondContact O-N 3.02Å; V77-E79 PolarHBondContact O-N 3.39Å; V77-T80 PolarHBondContact O-N 3Å; V77-T80 PolarHBondContact O-OG1 3.47Å; V77-T80 VanDerWaalsContact O-OG1 3.05Å; V77-L81 HydrophobicContact CG1-CD1 4.01Å
78S96.5Very high96.5Very high27 Ų2749 Ų4919%0.18924%0.237CC..Hα-helixtrans-63.5-22.6175.8-66.40000114.1T74 R75 Q76 T80T74-S78 VanDerWaalsContact O-CB 3.28Å; T74-S78 WeakPolarHBondContact O-CB 3.46Å; T74-S78 PolarHBondContact O-N 2.75Å; T74-S78 PolarHBondContact O-OG 2.88Å; R75-S78 WeakPolarHBondContact O-CB 3.28Å; R75-S78 PolarHBondContact O-N 2.85Å; R75-S78 VanDerWaalsContact O-N 3.17Å; Q76-S78 VanDerWaalsContact C-N 3.26Å; Q76-S78 PolarHBondContact O-N 2.91Å; S78-T80 PolarHBondContact O-N 3.43Å
79E97.5Very high96.9Very high109 Ų10947.7 Ų47.751%0.50923%0.231SC..THydrogen-bonded Turntrans-70.5-17.9173-66.1178.7166.300112.1R58 R75 Q76 V77R58-E79 WeakPolarHBondContact CG-OE2 3.43Å; R58-E79 IonicContact CZ-OE1 2.79Å; R58-E79 IonicContact CZ-OE2 3.52Å; R58-E79 IonicContact NE-OE1 3.86Å; R58-E79 PolarHBondContact NE-OE1 3.43Å; R58-E79 IonicContact NE-OE2 2.67Å; R58-E79 PolarHBondContact NE-OE2 3.28Å; R58-E79 IonicContact NH2-OE1 2.78Å; R58-E79 PolarHBondContact NH2-OE1 2.99Å; R58-E79 IonicContact NH2-OE2 2.81Å; R75-E79 PolarHBondContact O-N 2.77Å; R75-E79 VanDerWaalsContact O-N 3.13Å; Q76-E79 WeakPolarHBondContact O-CB 3.46Å; Q76-E79 PolarHBondContact O-N 3.49Å; Q76-E79 VanDerWaalsContact O-N 3.07Å; V77-E79 PolarHBondContact O-N 3.39Å
80T97.5Very high97.1Very high49 Ų4950.8 Ų50.830%0.30124%0.242SC..THydrogen-bonded Turntrans-97.9-0.7-179.684.10000113.6N51 A52 K53 V77 S78N51-T80 PolarHBondContact O-OG1 3.33Å; A52-T80 WeakPolarHBondContact CA-OG1 3.43Å; K53-T80 HydrophobicContact CB-CG2 4.27Å; K53-T80 PolarHBondContact N-OG1 3.08Å; V77-T80 PolarHBondContact O-N 3Å; V77-T80 PolarHBondContact O-OG1 3.47Å; V77-T80 VanDerWaalsContact O-OG1 3.05Å; S78-T80 PolarHBondContact O-N 3.43Å
81L97.9Very high97.2Very high18 Ų1851.8 Ų51.89%0.09425%0.253CS..  trans-122.3156.4-170.8-66.3176000112.4I48 N51 A52 V77 E84 R85 V88I48-L81 HydrophobicContact CG1-CD1 4.42Å; I48-L81 HydrophobicContact CG2-CD1 4.41Å; N51-L81 HydrophobicContact CB-CD2 3.86Å; A52-L81 HydrophobicContact CB-CD1 4.27Å; A52-L81 HydrophobicContact CB-CD2 4.08Å; A52-L81 HydrophobicContact CB-CG 4.42Å; V77-L81 HydrophobicContact CG1-CD1 4.01Å; L81-E84 HydrophobicContact CD2-CG 4.43Å; L81-R85 HydrophobicContact CB-CB 3.79Å; L81-R85 HydrophobicContact CD1-CB 4.31Å; L81-V88 HydrophobicContact CD1-CG2 3.71Å
82G97.8Very high97.3Very high38 Ų3850.5 Ų50.539%0.39224%0.244SC..SBendtrans-83.7-144.5172.300000113.3E84 R85G82-E84 VanDerWaalsContact C-OE2 3.29Å; G82-E84 WeakPolarHBondContact CA-OE2 3.37Å; G82-E84 VanDerWaalsContact N-CD 3.33Å; G82-E84 PolarHBondContact N-OE1 3.39Å; G82-E84 PolarHBondContact O-N 3.42Å; G82-R85 WeakPolarHBondContact O-CB 3.15Å; G82-R85 WeakPolarHBondContact O-CD 3.28Å; G82-R85 WeakPolarHBondContact O-CG 3.39Å; G82-R85 PolarHBondContact O-N 2.91Å
83E97.3Very high97.4Very high163 Ų16351.5 Ų51.576%0.76225%0.25SC*.G310 helixtrans-61.8-26.8179.2-68.2-170.9172.400113.3R85 K86E83-R85 PolarHBondContact O-N 3.33Å; E83-R85 VanDerWaalsContact O-N 3.12Å; E83-K86 WeakPolarHBondContact O-CD 3.38Å; E83-K86 WeakPolarHBondContact O-CG 3.32Å; E83-K86 PolarHBondContact O-N 3.16Å
84E98Very high97.4Very high10 Ų1052.7 Ų52.75%0.04726%0.258CS..G310 helixtrans-60.3-18.4177.167.3-79-178.300113.2D44 K47 I48 L81 G82 K86 W87D44-E84 HydrophobicContact CB-CB 3.86Å; K47-E84 HydrophobicContact CB-CG 3.95Å; I48-E84 HydrophobicContact CD1-CB 4.33Å; I48-E84 HydrophobicContact CD1-CG 4.47Å; I48-E84 HydrophobicContact CG1-CB 3.98Å; I48-E84 HydrophobicContact CG1-CG 3.62Å; L81-E84 HydrophobicContact CD2-CG 4.43Å; G82-E84 VanDerWaalsContact C-OE2 3.29Å; G82-E84 WeakPolarHBondContact CA-OE2 3.37Å; G82-E84 VanDerWaalsContact N-CD 3.33Å; G82-E84 PolarHBondContact N-OE1 3.39Å; G82-E84 PolarHBondContact O-N 3.42Å; E84-K86 PolarHBondContact O-N 2.66Å; E84-W87 WeakPolarHBondContact O-CB 3.36Å; E84-W87 VanDerWaalsContact O-CD1 3.31Å; E84-W87 PolarHBondContact O-N 3.24Å
85R97.6Very high97.5Very high135 Ų13551.9 Ų51.951%0.50925%0.254SS..G310 helixtrans-55.2-23.4175.776.9-170.2-178.3172.1-1113.7L81 G82 E83 W87 V88L81-R85 HydrophobicContact CB-CB 3.79Å; L81-R85 HydrophobicContact CD1-CB 4.31Å; G82-R85 WeakPolarHBondContact O-CB 3.15Å; G82-R85 WeakPolarHBondContact O-CD 3.28Å; G82-R85 WeakPolarHBondContact O-CG 3.39Å; G82-R85 PolarHBondContact O-N 2.91Å; E83-R85 PolarHBondContact O-N 3.33Å; E83-R85 VanDerWaalsContact O-N 3.12Å; R85-W87 PolarHBondContact O-N 3.11Å; R85-W87 VanDerWaalsContact O-N 3.09Å; R85-V88 PolarHBondContact O-N 2.75Å
86K97.6Very high97.6Very high120 Ų12045.6 Ų45.652%0.52223%0.23SC..G310 helixtrans-59.7-17.8176.973-168.6177.4-169.80113.7E83 E84E83-K86 WeakPolarHBondContact O-CD 3.38Å; E83-K86 WeakPolarHBondContact O-CG 3.32Å; E83-K86 PolarHBondContact O-N 3.16Å; E84-K86 PolarHBondContact O-N 2.66Å
87W98.2Very high97.6Very high40 Ų4045.4 Ų45.415%0.15223%0.229CC..G310 helixtrans-93.7-18.8-179.1-59.1128.7000114.1I40 D44 I48 E84 R85 H89 Y90I40-W87 HydrophobicContact CD1-CB 3.92Å; I40-W87 HydrophobicContact CD1-CD2 4.17Å; I40-W87 HydrophobicContact CD1-CE3 4.24Å; I40-W87 HydrophobicContact CD1-CG 4.07Å; I40-W87 HydrophobicContact CG1-CD2 3.9Å; I40-W87 HydrophobicContact CG1-CE3 3.93Å; I40-W87 HydrophobicContact CG1-CG 4.21Å; I40-W87 HydrophobicContact CG1-CZ3 4.41Å; I40-W87 HydrophobicContact CG2-CB 4.5Å; I40-W87 HydrophobicContact CG2-CD2 4.12Å; I40-W87 HydrophobicContact CG2-CG 3.89Å; D44-W87 PolarHBondContact OD2-NE1 2.85Å; I48-W87 HydrophobicContact CD1-CB 4.08Å; E84-W87 WeakPolarHBondContact O-CB 3.36Å; E84-W87 VanDerWaalsContact O-CD1 3.31Å; E84-W87 PolarHBondContact O-N 3.24Å; R85-W87 PolarHBondContact O-N 3.11Å; R85-W87 VanDerWaalsContact O-N 3.09Å; W87-H89 PolarHBondContact O-N 2.88Å; W87-Y90 HydrophobicContact CE3-CD2 4.27Å; W87-Y90 HydrophobicContact CE3-CG 4.4Å; W87-Y90 HydrophobicContact CZ3-CD2 4.42Å; W87-Y90 HydrophobicContact CZ3-CE2 4.45Å; W87-Y90 WeakPolarHBondContact O-CB 3.43Å; W87-Y90 PolarHBondContact O-N 3.44Å; W87-Y90 VanDerWaalsContact O-N 3.09Å
88V96.8Very high97.7Very high18 Ų1846.7 Ų46.711%0.10924%0.237CC..THydrogen-bonded Turntrans-60.9132.5175.9179.50000108.1T74 L81 R85 Y90T74-V88 HydrophobicContact CG2-CG1 4.37Å; L81-V88 HydrophobicContact CD1-CG2 3.71Å; R85-V88 PolarHBondContact O-N 2.75Å; V88-Y90 PolarHBondContact O-N 2.98Å
89H97.8Very high97.8Very high43 Ų4345.5 Ų45.520%0.19923%0.228CC..THydrogen-bonded Turntrans64.717.2-176.4-143.673.4000115.8E27 T74 W87 G91 L92E27-H89 IonicContact OE1-CE1 3.33Å; E27-H89 IonicContact OE1-CG 3.85Å; E27-H89 IonicContact OE1-ND1 3.88Å; E27-H89 PolarHBondContact OE1-ND1 2.9Å; E27-H89 WeakPolarHBondContact OE2-CA 3.37Å; E27-H89 PolarHBondContact OE2-N 3.08Å; E27-H89 IonicContact OE2-ND1 3.89Å; T74-H89 HydrophobicContact CG2-CB 4.16Å; W87-H89 PolarHBondContact O-N 2.88Å; H89-G91 PolarHBondContact O-N 3.02Å; H89-G91 VanDerWaalsContact O-N 3.15Å; H89-L92 PolarHBondContact O-N 3.12Å
90Y97.6Very high97.8Very high90 Ų9040.3 Ų40.335%0.35320%0.204SC..THydrogen-bonded Turntrans-65.9115.5-178.1-177.3-94.4000112.2W34 H39 W87 V88 L92W34-Y90 HydrophobicContact CD2-CD1 4.26Å; W34-Y90 HydrophobicContact CD2-CE1 4.44Å; W34-Y90 AromaticContact CE2-CD1 3.7Å; W34-Y90 AromaticContact CE2-CE1 3.98Å; W34-Y90 HydrophobicContact CH2-CD1 4.44Å; W34-Y90 AromaticContact CH2-CE1 3.89Å; W34-Y90 HydrophobicContact CH2-CE1 3.89Å; W34-Y90 AromaticContact CZ2-CD1 3.81Å; W34-Y90 HydrophobicContact CZ2-CD1 3.81Å; W34-Y90 AromaticContact CZ2-CE1 3.69Å; W34-Y90 HydrophobicContact CZ2-CE1 3.69Å; W34-Y90 HydrophobicContact CZ3-CE1 4.38Å; W34-Y90 AromaticContact NE1-CD1 3.79Å; W34-Y90 PolarHBondContact NE1-O 3.33Å; H39-Y90 AromaticContact CD2-CE1 3.57Å; H39-Y90 AromaticContact NE2-CE1 3.3Å; H39-Y90 VanDerWaalsContact NE2-CE1 3.3Å; H39-Y90 WeakPolarHBondContact NE2-CE1 3.31Å; H39-Y90 AromaticContact NE2-CZ 3.25Å; H39-Y90 VanDerWaalsContact NE2-CZ 3.25Å; H39-Y90 PolarHBondContact NE2-OH 3.28Å; W87-Y90 HydrophobicContact CE3-CD2 4.27Å; W87-Y90 HydrophobicContact CE3-CG 4.4Å; W87-Y90 HydrophobicContact CZ3-CD2 4.42Å; W87-Y90 HydrophobicContact CZ3-CE2 4.45Å; W87-Y90 WeakPolarHBondContact O-CB 3.43Å; W87-Y90 PolarHBondContact O-N 3.44Å; W87-Y90 VanDerWaalsContact O-N 3.09Å; V88-Y90 PolarHBondContact O-N 2.98Å; Y90-L92 VanDerWaalsContact C-N 3.26Å; Y90-L92 PolarHBondContact O-N 2.97Å
91G96.2Very high97.9Very high22 Ų2238 Ų3823%0.22719%0.19CC..THydrogen-bonded Turntrans82.3-6.5178.700000115.1H89 N189H89-G91 PolarHBondContact O-N 3.02Å; H89-G91 VanDerWaalsContact O-N 3.15Å; G91-N189 WeakPolarHBondContact CA-O 3.14Å
92L97.8Very high97.9Very high19 Ų1938.5 Ų38.510%0.09919%0.192CC..  trans-83.1153.7-176.9-55.5-173.6000112.2A30 H89 Y90 D96 V97 M180 I190A30-L92 HydrophobicContact CB-CD1 4.15Å; H89-L92 PolarHBondContact O-N 3.12Å; Y90-L92 VanDerWaalsContact C-N 3.26Å; Y90-L92 PolarHBondContact O-N 2.97Å; L92-D96 HydrophobicContact CB-CB 4.38Å; L92-D96 HydrophobicContact CD2-CB 4.28Å; L92-V97 HydrophobicContact CD1-CG2 3.86Å; L92-M180 HydrophobicContact CD2-SD 3.97Å; L92-I190 HydrophobicContact CD2-CD1 3.3Å
93T97.7Very high98Very high20 Ų2036.7 Ų36.712%0.12317%0.174CC..  trans-98.4158155.8-171.10000110.3T95 D96 G182 Q212T93-T95 PolarHBondContact O-N 3.46Å; T93-D96 HydrophobicContact CG2-CB 4.31Å; T93-D96 VanDerWaalsContact CG2-CG 3.5Å; T93-D96 WeakPolarHBondContact CG2-OD2 3.42Å; T93-D96 PolarHBondContact N-OD2 2.92Å; T93-D96 WeakPolarHBondContact O-CB 3.16Å; T93-D96 PolarHBondContact O-N 3.21Å; T93-G182 VanDerWaalsContact CG2-C 3.46Å; T93-G182 WeakPolarHBondContact CG2-O 3.49Å; T93-Q212 HydrophobicContact CG2-CG 4.11Å
94S97.6Very high98Very high25 Ų2531 Ų3118%0.17515%0.147CC..Hα-helixtrans-47.8-36.2-179.5-55.90000113.3H68 V97 V98H68-S94 PolarHBondContact CE1-OG 3.38Å; H68-S94 VanDerWaalsContact CE1-OG 3.26Å; H68-S94 PolarHBondContact NE2-OG 2.96Å; S94-V97 PolarHBondContact O-N 2.9Å; S94-V98 VanDerWaalsContact O-CG2 3.31Å; S94-V98 WeakPolarHBondContact O-CG2 3.2Å; S94-V98 PolarHBondContact O-N 2.72Å
95T97.9Very high98.1Very high6 Ų630.9 Ų30.94%0.03715%0.146CC..Hα-helixtrans-93.1-6.8-176.3-53.10000115.3T93 V97 V98 D99 Q212 T213 R301T93-T95 PolarHBondContact O-N 3.46Å; T95-V97 PolarHBondContact O-N 3.34Å; T95-V98 HydrophobicContact CG2-CB 4.44Å; T95-D99 HydrophobicContact CG2-CB 3.79Å; T95-D99 WeakPolarHBondContact CG2-OD1 3.38Å; T95-D99 VanDerWaalsContact CG2-OD2 3.28Å; T95-D99 WeakPolarHBondContact CG2-OD2 3.48Å; T95-D99 WeakPolarHBondContact O-CB 3.41Å; T95-D99 PolarHBondContact O-N 3.16Å; T95-D99 VanDerWaalsContact O-N 3.1Å; T95-Q212 WeakPolarHBondContact CB-O 3.38Å; T95-T213 HydrophobicContact CG2-CG2 3.86Å; T95-R301 VanDerWaalsContact CG2-NH2 3.28Å; T95-R301 PolarHBondContact OG1-NH1 3.06Å; T95-R301 PolarHBondContact OG1-NH2 3.21Å
96D98.6Very high98.1Very high0 Ų024.4 Ų24.40%012%0.122CC..Hα-helixtrans-58.7-44.3159.2-65.6-28.8000108.9L92 T93 T100 K179 M180 S181 G182L92-D96 HydrophobicContact CB-CB 4.38Å; L92-D96 HydrophobicContact CD2-CB 4.28Å; T93-D96 HydrophobicContact CG2-CB 4.31Å; T93-D96 VanDerWaalsContact CG2-CG 3.5Å; T93-D96 WeakPolarHBondContact CG2-OD2 3.42Å; T93-D96 PolarHBondContact N-OD2 2.92Å; T93-D96 WeakPolarHBondContact O-CB 3.16Å; T93-D96 PolarHBondContact O-N 3.21Å; D96-T100 WeakPolarHBondContact O-CB 3.48Å; D96-T100 PolarHBondContact O-N 3.23Å; D96-T100 PolarHBondContact O-OG1 2.88Å; D96-K179 VanDerWaalsContact CA-O 3.31Å; D96-K179 WeakPolarHBondContact CA-O 3.47Å; D96-K179 VanDerWaalsContact OD1-CD 3.28Å; D96-K179 WeakPolarHBondContact OD1-CD 3.4Å; D96-K179 WeakPolarHBondContact OD1-CE 3.45Å; D96-K179 IonicContact OD1-NZ 3.76Å; D96-K179 PolarHBondContact OD1-NZ 3.21Å; D96-M180 HydrophobicContact CB-SD 3.68Å; D96-M180 WeakPolarHBondContact O-CE 3.41Å; D96-S181 PolarHBondContact OD1-N 3.28Å; D96-S181 VanDerWaalsContact OD1-N 3.08Å; D96-G182 PolarHBondContact OD1-N 3.47Å; D96-G182 VanDerWaalsContact OD2-CA 3.26Å; D96-G182 WeakPolarHBondContact OD2-CA 3.43Å; D96-G182 PolarHBondContact OD2-N 3.22Å; D96-G182 VanDerWaalsContact OD2-N 3.07Å
97V98.5Very high98.2Very high0 Ų020.7 Ų20.70%011%0.106CC..Hα-helixtrans-71.1-54.9175.5-175.40000112.2W23 V26 E27 L92 S94 T95 D99 A101W23-V97 HydrophobicContact CB-CG1 3.68Å; W23-V97 HydrophobicContact CD2-CG1 4.24Å; W23-V97 HydrophobicContact CG-CG1 3.73Å; V26-V97 HydrophobicContact CG1-CB 4.38Å; V26-V97 HydrophobicContact CG1-CG1 4.29Å; V26-V97 HydrophobicContact CG1-CG2 4.23Å; E27-V97 HydrophobicContact CG-CG2 4.38Å; E27-V97 WeakPolarHBondContact OE1-CG2 3.27Å; L92-V97 HydrophobicContact CD1-CG2 3.86Å; S94-V97 PolarHBondContact O-N 2.9Å; T95-V97 PolarHBondContact O-N 3.34Å; V97-D99 PolarHBondContact O-N 3.05Å; V97-A101 WeakPolarHBondContact O-CB 3.45Å; V97-A101 PolarHBondContact O-N 3.16Å
98V98.6Very high98.2Very high29 Ų2921 Ų2118%0.17611%0.109CC..Hα-helixtrans-61.3-50.2-172.41740000112.6W23 V70 S94 T95 L102W23-V98 HydrophobicContact CH2-CG2 4.19Å; W23-V98 HydrophobicContact CZ2-CG2 3.68Å; V70-V98 HydrophobicContact CG2-CG2 3.49Å; V70-V98 VanDerWaalsContact CG2-CG2 3.49Å; S94-V98 VanDerWaalsContact O-CG2 3.31Å; S94-V98 WeakPolarHBondContact O-CG2 3.2Å; S94-V98 PolarHBondContact O-N 2.72Å; T95-V98 HydrophobicContact CG2-CB 4.44Å; V98-L102 WeakPolarHBondContact O-CB 3.38Å; V98-L102 PolarHBondContact O-N 3.33Å
99D98.6Very high98.3Very high1 Ų120.1 Ų20.11%0.00510%0.104CC..Hα-helixtrans-72.6-39.8-175.3-83.7-0.8000111.5T95 V97 L102 S103 K179 T213 L214 R216T95-D99 HydrophobicContact CG2-CB 3.79Å; T95-D99 WeakPolarHBondContact CG2-OD1 3.38Å; T95-D99 VanDerWaalsContact CG2-OD2 3.28Å; T95-D99 WeakPolarHBondContact CG2-OD2 3.48Å; T95-D99 WeakPolarHBondContact O-CB 3.41Å; T95-D99 PolarHBondContact O-N 3.16Å; T95-D99 VanDerWaalsContact O-N 3.1Å; V97-D99 PolarHBondContact O-N 3.05Å; D99-L102 PolarHBondContact O-N 2.93Å; D99-S103 PolarHBondContact O-N 3.21Å; D99-S103 PolarHBondContact O-OG 3.07Å; D99-K179 HydrophobicContact CB-CG 4.43Å; D99-T213 WeakPolarHBondContact OD2-CA 3.28Å; D99-T213 WeakPolarHBondContact OD2-CB 3.39Å; D99-L214 HydrophobicContact CB-CD1 3.85Å; D99-L214 HydrophobicContact CB-CG 3.89Å; D99-L214 PolarHBondContact OD2-N 3.31Å; D99-R216 IonicContact OD1-CZ 2.73Å; D99-R216 IonicContact OD1-NH1 3.81Å; D99-R216 PolarHBondContact OD1-NH1 2.92Å; D99-R216 IonicContact OD1-NH2 2.97Å; D99-R216 PolarHBondContact OD1-NH2 3.39Å; D99-R216 IonicContact OD2-CZ 3.58Å; D99-R216 IonicContact OD2-NH1 3.3Å; D99-R216 PolarHBondContact OD2-NH1 3.17Å; D99-R216 IonicContact OD2-NH2 3.03Å
100T98.8Very high98.4Very high0 Ų018 Ų180%09%0.094CC..Hα-helixtrans-66.5-42.5179.4-57.50000111.4V26 D96 L102 S103 F104 K179 M180 V198 L202 I204V26-T100 HydrophobicContact CG2-CG2 4.06Å; D96-T100 WeakPolarHBondContact O-CB 3.48Å; D96-T100 PolarHBondContact O-N 3.23Å; D96-T100 PolarHBondContact O-OG1 2.88Å; T100-L102 VanDerWaalsContact C-N 3.34Å; T100-S103 PolarHBondContact O-N 3.02Å; T100-F104 PolarHBondContact O-N 3.2Å; T100-K179 PolarHBondContact OG1-N 3.49Å; T100-K179 PolarHBondContact OG1-O 3.41Å; T100-M180 HydrophobicContact CG2-CE 3.48Å; T100-M180 VanDerWaalsContact CG2-CE 3.48Å; T100-M180 WeakPolarHBondContact OG1-CE 3.47Å; T100-V198 HydrophobicContact CG2-CG1 4.37Å; T100-L202 HydrophobicContact CG2-CD1 3.71Å; T100-I204 HydrophobicContact CG2-CD1 3.81Å
101A98.8Very high98.4Very high1 Ų116.6 Ų16.61%0.0089%0.092CC..Hα-helixtrans-66.2-37.4173.300000112A22 W23 V26 V97 F104 V105A22-A101 HydrophobicContact CB-CB 3.9Å; W23-A101 HydrophobicContact CG-CB 4.42Å; V26-A101 HydrophobicContact CG2-CB 4.14Å; V97-A101 WeakPolarHBondContact O-CB 3.45Å; V97-A101 PolarHBondContact O-N 3.16Å; A101-F104 WeakPolarHBondContact O-CB 3.39Å; A101-F104 PolarHBondContact O-N 3.5Å; A101-V105 WeakPolarHBondContact O-CB 3.15Å; A101-V105 VanDerWaalsContact O-CG2 3.28Å; A101-V105 WeakPolarHBondContact O-CG2 3.27Å; A101-V105 PolarHBondContact O-N 3.4Å
102L98.8Very high98.6Very high28 Ų2816.2 Ų16.215%0.1479%0.085CC..Hα-helixtrans-62.4-44.1175.2-178.961.8000111.4W14 V98 D99 T100 F104 V105 I106 L313W14-L102 HydrophobicContact CH2-CD1 4.27Å; W14-L102 HydrophobicContact CZ3-CD1 3.98Å; V98-L102 WeakPolarHBondContact O-CB 3.38Å; V98-L102 PolarHBondContact O-N 3.33Å; D99-L102 PolarHBondContact O-N 2.93Å; T100-L102 VanDerWaalsContact C-N 3.34Å; L102-F104 VanDerWaalsContact C-N 3.3Å; L102-F104 PolarHBondContact O-N 2.87Å; L102-V105 PolarHBondContact O-N 2.96Å; L102-I106 HydrophobicContact CD1-CD1 4.29Å; L102-I106 HydrophobicContact CD1-CG1 4.38Å; L102-I106 HydrophobicContact CG-CD1 3.96Å; L102-I106 HydrophobicContact CG-CG1 4.47Å; L102-I106 WeakPolarHBondContact O-CB 3.29Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.44Å; L102-I106 PolarHBondContact O-N 3.26Å; L102-L313 HydrophobicContact CD1-CD1 3.88Å; L102-L313 HydrophobicContact CD2-CD1 3.8Å; L102-L313 HydrophobicContact CG-CD1 4.25Å
103S98.8Very high98.6Very high0 Ų015.3 Ų15.30%08%0.08CC..Hα-helixtrans-61.4-38.3174-64.30000112.1D99 T100 I106 K107 I175 V177 L214D99-S103 PolarHBondContact O-N 3.21Å; D99-S103 PolarHBondContact O-OG 3.07Å; T100-S103 PolarHBondContact O-N 3.02Å; S103-I106 PolarHBondContact O-N 3.06Å; S103-K107 WeakPolarHBondContact O-CB 3.36Å; S103-K107 PolarHBondContact O-N 3.37Å; S103-I175 PolarHBondContact OG-O 3.45Å; S103-V177 WeakPolarHBondContact CB-O 3.22Å; S103-V177 PolarHBondContact OG-O 2.88Å; S103-L214 WeakPolarHBondContact OG-CD1 3.32Å
104F98.8Very high98.7Very high45 Ų4516.2 Ų16.220%0.1978%0.083CC..Hα-helixtrans-65.2-42.1173.2178.5-116.5000112.6A22 T100 A101 L102 K107 Q108 L202A22-F104 HydrophobicContact CB-CD1 3.92Å; A22-F104 HydrophobicContact CB-CE1 4.47Å; T100-F104 PolarHBondContact O-N 3.2Å; A101-F104 WeakPolarHBondContact O-CB 3.39Å; A101-F104 PolarHBondContact O-N 3.5Å; L102-F104 VanDerWaalsContact C-N 3.3Å; L102-F104 PolarHBondContact O-N 2.87Å; F104-K107 WeakPolarHBondContact O-CB 3.39Å; F104-K107 PolarHBondContact O-N 3.04Å; F104-Q108 WeakPolarHBondContact O-CG 3.3Å; F104-Q108 PolarHBondContact O-N 2.87Å; F104-Q108 VanDerWaalsContact O-N 3.09Å; F104-L202 HydrophobicContact CD1-CD2 4.35Å; F104-L202 HydrophobicContact CD2-CB 4.08Å; F104-L202 HydrophobicContact CD2-CD2 3.99Å; F104-L202 HydrophobicContact CE1-CD2 4.48Å; F104-L202 HydrophobicContact CE2-CD2 4.14Å; F104-L202 HydrophobicContact CG-CD2 4.1Å; F104-L202 HydrophobicContact CZ-CD2 4.38Å
105V98.8Very high98.7Very high6 Ų621.3 Ų21.34%0.03610%0.102CC..Hα-helixtrans-65.5-42174.71700000111.2I13 W14 A22 A101 L102 K107 Q108 A109I13-V105 HydrophobicContact CG2-CG1 3.57Å; W14-V105 HydrophobicContact CD2-CG1 4.35Å; W14-V105 HydrophobicContact CE3-CG1 3.92Å; W14-V105 HydrophobicContact CH2-CG1 4.07Å; W14-V105 HydrophobicContact CZ2-CG1 4.48Å; W14-V105 HydrophobicContact CZ3-CG1 3.77Å; A22-V105 HydrophobicContact CB-CG2 3.91Å; A101-V105 WeakPolarHBondContact O-CB 3.15Å; A101-V105 VanDerWaalsContact O-CG2 3.28Å; A101-V105 WeakPolarHBondContact O-CG2 3.27Å; A101-V105 PolarHBondContact O-N 3.4Å; L102-V105 PolarHBondContact O-N 2.96Å; V105-K107 VanDerWaalsContact C-N 3.32Å; V105-K107 PolarHBondContact O-N 3.11Å; V105-Q108 WeakPolarHBondContact O-CB 3.27Å; V105-Q108 PolarHBondContact O-N 2.89Å; V105-A109 PolarHBondContact O-N 2.96Å
106I98.8Very high98.8Very high0 Ų021.4 Ų21.40%010%0.103CC..Hα-helixtrans-61.9-41.2173.7-72.8169.3000110.4W14 L102 S103 Q108 A109 N110 I175 Y222 L313W14-I106 HydrophobicContact CH2-CG1 4.08Å; L102-I106 HydrophobicContact CD1-CD1 4.29Å; L102-I106 HydrophobicContact CD1-CG1 4.38Å; L102-I106 HydrophobicContact CG-CD1 3.96Å; L102-I106 HydrophobicContact CG-CG1 4.47Å; L102-I106 WeakPolarHBondContact O-CB 3.29Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.44Å; L102-I106 PolarHBondContact O-N 3.26Å; S103-I106 PolarHBondContact O-N 3.06Å; I106-Q108 VanDerWaalsContact C-N 3.31Å; I106-Q108 PolarHBondContact O-N 3.24Å; I106-A109 WeakPolarHBondContact O-CB 3.33Å; I106-A109 PolarHBondContact O-N 3.44Å; I106-A109 VanDerWaalsContact O-N 3.14Å; I106-N110 WeakPolarHBondContact CG2-ND2 3.19Å; I106-N110 WeakPolarHBondContact O-CB 3.4Å; I106-N110 PolarHBondContact O-N 2.87Å; I106-N110 PolarHBondContact O-ND2 3.37Å; I106-N110 PolarHBondContact O-OD1 2.9Å; I106-I175 HydrophobicContact CD1-CD1 4.47Å; I106-I175 HydrophobicContact CD1-CG1 4.01Å; I106-I175 HydrophobicContact CG2-CG1 4.08Å; I106-I175 HydrophobicContact CG2-CG2 3.88Å; I106-Y222 HydrophobicContact CG2-CE1 4.31Å; I106-Y222 HydrophobicContact CG2-CE2 4.27Å; I106-L313 HydrophobicContact CD1-CD1 4.36Å; I106-L313 HydrophobicContact CD1-CD2 4.49Å
107K98.8Very high98.8Very high42 Ų4221.4 Ų21.418%0.18310%0.103CC..Hα-helixtrans-57.2-44.5174.4172.1170171.522.70111.7S103 F104 V105 A109 N110 D111 E176 I204S103-K107 WeakPolarHBondContact O-CB 3.36Å; S103-K107 PolarHBondContact O-N 3.37Å; F104-K107 WeakPolarHBondContact O-CB 3.39Å; F104-K107 PolarHBondContact O-N 3.04Å; V105-K107 VanDerWaalsContact C-N 3.32Å; V105-K107 PolarHBondContact O-N 3.11Å; K107-A109 VanDerWaalsContact C-N 3.34Å; K107-A109 PolarHBondContact O-N 2.96Å; K107-N110 PolarHBondContact O-N 3.4Å; K107-D111 IonicContact NZ-OD1 2.72Å; K107-D111 PolarHBondContact NZ-OD1 3.37Å; K107-D111 IonicContact NZ-OD2 3.35Å; K107-D111 PolarHBondContact NZ-OD2 3.24Å; K107-D111 VanDerWaalsContact O-CG 3.22Å; K107-D111 PolarHBondContact O-N 3.06Å; K107-E176 HydrophobicContact CB-CG 3.98Å; K107-I204 HydrophobicContact CB-CG2 4.38Å; K107-I204 HydrophobicContact CD-CG2 3.88Å
108Q98.8Very high98.8Very high45 Ų4524.9 Ų24.921%0.2112%0.119CC..Hα-helixtrans-59.7-44.6175.3-64.5171.2-8.300111.4I13 N18 F104 V105 I106 N110 D111 I112I13-Q108 HydrophobicContact CD1-CB 3.82Å; I13-Q108 HydrophobicContact CG1-CB 4.19Å; I13-Q108 HydrophobicContact CG2-CB 4.17Å; N18-Q108 PolarHBondContact ND2-OE1 3.33Å; F104-Q108 WeakPolarHBondContact O-CG 3.3Å; F104-Q108 PolarHBondContact O-N 2.87Å; F104-Q108 VanDerWaalsContact O-N 3.09Å; V105-Q108 WeakPolarHBondContact O-CB 3.27Å; V105-Q108 PolarHBondContact O-N 2.89Å; I106-Q108 VanDerWaalsContact C-N 3.31Å; I106-Q108 PolarHBondContact O-N 3.24Å; Q108-N110 VanDerWaalsContact C-N 3.31Å; Q108-N110 PolarHBondContact O-N 2.96Å; Q108-D111 PolarHBondContact O-N 3.5Å; Q108-I112 PolarHBondContact O-N 3.48Å
109A98.9Very high98.8Very high0 Ų028 Ų280%013%0.127CC..Hα-helixtrans-63.2-40.5176.800000111.1M10 I13 W14 V105 I106 K107 D111 I112 I113 T317M10-A109 HydrophobicContact CE-CB 4.09Å; M10-A109 WeakPolarHBondContact CE-O 3.49Å; M10-A109 HydrophobicContact SD-CB 3.6Å; I13-A109 HydrophobicContact CD1-CB 4.39Å; I13-A109 HydrophobicContact CG2-CB 4.44Å; W14-A109 HydrophobicContact CZ2-CB 4.45Å; V105-A109 PolarHBondContact O-N 2.96Å; I106-A109 WeakPolarHBondContact O-CB 3.33Å; I106-A109 PolarHBondContact O-N 3.44Å; I106-A109 VanDerWaalsContact O-N 3.14Å; K107-A109 VanDerWaalsContact C-N 3.34Å; K107-A109 PolarHBondContact O-N 2.96Å; A109-D111 VanDerWaalsContact C-N 3.33Å; A109-D111 PolarHBondContact O-N 3.4Å; A109-I112 PolarHBondContact O-N 3.37Å; A109-I113 WeakPolarHBondContact O-CG1 3.22Å; A109-I113 PolarHBondContact O-N 3.47Å; A109-T317 HydrophobicContact CB-CG2 4.3Å
110N98.9Very high98.8Very high0 Ų027.9 Ų27.90%013%0.127CC..Hα-helixtrans-66.8-36179.4-68.3-18.6000112.3I106 K107 Q108 I112 I113 E114 F168 R172 E176 Y222I106-N110 WeakPolarHBondContact CG2-ND2 3.19Å; I106-N110 WeakPolarHBondContact O-CB 3.4Å; I106-N110 PolarHBondContact O-N 2.87Å; I106-N110 PolarHBondContact O-ND2 3.37Å; I106-N110 PolarHBondContact O-OD1 2.9Å; K107-N110 PolarHBondContact O-N 3.4Å; Q108-N110 VanDerWaalsContact C-N 3.31Å; Q108-N110 PolarHBondContact O-N 2.96Å; N110-I112 PolarHBondContact O-N 3.47Å; N110-I113 PolarHBondContact O-N 3.17Å; N110-E114 WeakPolarHBondContact O-CB 3.19Å; N110-E114 PolarHBondContact O-N 3.38Å; N110-F168 HydrophobicContact CB-CE1 4.33Å; N110-F168 HydrophobicContact CB-CZ 3.76Å; N110-R172 HydrophobicContact CB-CG 4.1Å; N110-R172 PolarHBondContact O-NH1 3.4Å; N110-R172 VanDerWaalsContact O-NH1 3.12Å; N110-E176 WeakPolarHBondContact CB-OE1 3.39Å; N110-E176 PolarHBondContact ND2-OE1 3.46Å; N110-Y222 WeakPolarHBondContact OD1-CE2 3.23Å; N110-Y222 VanDerWaalsContact OD1-CZ 3.27Å; N110-Y222 PolarHBondContact OD1-OH 2.67Å
111D98.8Very high98.8Very high59 Ų5928.4 Ų28.432%0.31613%0.13SC..Hα-helixtrans-60.7-29.3175-69.5-20000112.3K107 Q108 A109 K115 R172K107-D111 IonicContact NZ-OD1 2.72Å; K107-D111 PolarHBondContact NZ-OD1 3.37Å; K107-D111 IonicContact NZ-OD2 3.35Å; K107-D111 PolarHBondContact NZ-OD2 3.24Å; K107-D111 VanDerWaalsContact O-CG 3.22Å; K107-D111 PolarHBondContact O-N 3.06Å; Q108-D111 PolarHBondContact O-N 3.5Å; A109-D111 VanDerWaalsContact C-N 3.33Å; A109-D111 PolarHBondContact O-N 3.4Å; D111-K115 WeakPolarHBondContact O-CD 3.46Å; D111-K115 WeakPolarHBondContact O-CE 3.4Å; D111-K115 WeakPolarHBondContact O-CG 3.42Å; D111-R172 IonicContact OD1-CZ 2.81Å; D111-R172 IonicContact OD1-NH1 3.99Å; D111-R172 PolarHBondContact OD1-NH1 2.94Å; D111-R172 VanDerWaalsContact OD1-NH1 3.11Å; D111-R172 IonicContact OD1-NH2 3.71Å; D111-R172 PolarHBondContact OD1-NH2 3.36Å
112I98.8Very high98.8Very high15 Ų1533.5 Ų33.58%0.07716%0.157CC..Hα-helixtrans-78.4-51.2171.9-62.3171.9000110.6E9 M10 I13 Q108 A109 N110 E114 K115 D116E9-I112 HydrophobicContact CB-CD1 4.45Å; E9-I112 HydrophobicContact CG-CD1 3.73Å; E9-I112 HydrophobicContact CG-CG1 4.37Å; M10-I112 HydrophobicContact CE-CB 3.79Å; M10-I112 HydrophobicContact CE-CD1 4.1Å; M10-I112 HydrophobicContact CE-CG2 3.87Å; M10-I112 HydrophobicContact SD-CD1 4.42Å; I13-I112 HydrophobicContact CD1-CD1 3.38Å; I13-I112 HydrophobicContact CD1-CG1 4.36Å; I13-I112 HydrophobicContact CG1-CD1 4.49Å; Q108-I112 PolarHBondContact O-N 3.48Å; A109-I112 PolarHBondContact O-N 3.37Å; N110-I112 PolarHBondContact O-N 3.47Å; I112-E114 VanDerWaalsContact C-N 3.26Å; I112-E114 PolarHBondContact O-N 3.17Å; I112-K115 PolarHBondContact O-N 2.98Å; I112-K115 VanDerWaalsContact O-N 3.12Å; I112-D116 PolarHBondContact O-N 3.42Å
113I98.9Very high98.8Very high0 Ų032.9 Ų32.90%015%0.154CC..Hα-helixtrans-59.9-37.4-176.6-68.4165.8000111.3M10 A109 N110 D116 L117 F168 T317 L320 L324M10-I113 HydrophobicContact CE-CD1 4.09Å; M10-I113 HydrophobicContact CE-CG1 3.75Å; A109-I113 WeakPolarHBondContact O-CG1 3.22Å; A109-I113 PolarHBondContact O-N 3.47Å; N110-I113 PolarHBondContact O-N 3.17Å; I113-D116 PolarHBondContact O-N 2.91Å; I113-L117 HydrophobicContact CG2-CD1 4.01Å; I113-L117 HydrophobicContact CG2-CG 4.34Å; I113-L117 WeakPolarHBondContact O-CB 3.16Å; I113-L117 VanDerWaalsContact O-CG 3.3Å; I113-L117 WeakPolarHBondContact O-CG 3.45Å; I113-L117 PolarHBondContact O-N 3.16Å; I113-F168 HydrophobicContact CB-CE1 4.4Å; I113-F168 HydrophobicContact CB-CE2 4.17Å; I113-F168 HydrophobicContact CB-CZ 3.71Å; I113-F168 HydrophobicContact CG2-CD2 4.22Å; I113-F168 HydrophobicContact CG2-CE1 4.13Å; I113-F168 HydrophobicContact CG2-CE2 3.55Å; I113-F168 HydrophobicContact CG2-CZ 3.5Å; I113-F168 VanDerWaalsContact CG2-CZ 3.5Å; I113-T317 HydrophobicContact CD1-CG2 4.14Å; I113-L320 HydrophobicContact CD1-CD2 4.47Å; I113-L320 HydrophobicContact CG2-CD2 4.17Å; I113-L324 HydrophobicContact CG2-CD1 4.2Å
114E98.9Very high98.8Very high38 Ų3832.9 Ų32.918%0.17815%0.154CC..Hα-helixtrans-59.8-49176-164.4167.1160.100111.7N110 I112 D116 L117 E118 L165 F168 K169 R172N110-E114 WeakPolarHBondContact O-CB 3.19Å; N110-E114 PolarHBondContact O-N 3.38Å; I112-E114 VanDerWaalsContact C-N 3.26Å; I112-E114 PolarHBondContact O-N 3.17Å; E114-D116 VanDerWaalsContact C-N 3.27Å; E114-D116 PolarHBondContact O-N 3.45Å; E114-L117 WeakPolarHBondContact O-CB 3.38Å; E114-L117 PolarHBondContact O-N 2.92Å; E114-E118 WeakPolarHBondContact O-CG 3.48Å; E114-E118 PolarHBondContact O-N 2.87Å; E114-L165 HydrophobicContact CG-CD1 4.06Å; E114-F168 HydrophobicContact CB-CD1 4.4Å; E114-F168 HydrophobicContact CB-CE1 3.85Å; E114-F168 HydrophobicContact CG-CE1 4.41Å; E114-K169 WeakPolarHBondContact OE1-CE 3.22Å; E114-K169 IonicContact OE1-NZ 2.79Å; E114-K169 PolarHBondContact OE1-NZ 3.27Å; E114-R172 IonicContact OE2-CZ 2.85Å; E114-R172 IonicContact OE2-NE 3.99Å; E114-R172 IonicContact OE2-NH1 2.75Å; E114-R172 PolarHBondContact OE2-NH1 3.02Å
115K98.8Very high98.8Very high132 Ų13231.4 Ų31.457%0.57415%0.15SC*.Hα-helixtrans-62.8-37.2177.8-66.6173.9-169.3172.20111.6D111 I112 E118 R119D111-K115 WeakPolarHBondContact O-CD 3.46Å; D111-K115 WeakPolarHBondContact O-CE 3.4Å; D111-K115 WeakPolarHBondContact O-CG 3.42Å; I112-K115 PolarHBondContact O-N 2.98Å; I112-K115 VanDerWaalsContact O-N 3.12Å; K115-E118 PolarHBondContact O-N 3.47Å; K115-R119 WeakPolarHBondContact O-CB 3.48Å; K115-R119 PolarHBondContact O-N 2.98Å
116D98.9Very high98.8Very high9 Ų935.9 Ų35.95%0.04817%0.17CC..Hα-helixtrans-66.3-40.5176.2-77.1-32.6000112.7I112 I113 E114 R119 F120 L324 N325I112-D116 PolarHBondContact O-N 3.42Å; I113-D116 PolarHBondContact O-N 2.91Å; E114-D116 VanDerWaalsContact C-N 3.27Å; E114-D116 PolarHBondContact O-N 3.45Å; D116-R119 IonicContact OD1-CZ 3.52Å; D116-R119 IonicContact OD1-NH2 3.25Å; D116-R119 PolarHBondContact OD1-NH2 3.11Å; D116-F120 WeakPolarHBondContact O-CB 3.5Å; D116-F120 PolarHBondContact O-N 3.06Å; D116-L324 HydrophobicContact CB-CB 3.96Å; D116-L324 HydrophobicContact CB-CD1 3.85Å; D116-L324 HydrophobicContact CB-CG 4.49Å; D116-N325 PolarHBondContact OD1-ND2 3.43Å; D116-N325 PolarHBondContact OD2-ND2 2.78Å
117L98.9Very high98.8Very high0 Ų036.8 Ų36.80%017%0.174CC..Hα-helixtrans-63.1-48.4173.3-74.6167.5000111.2I113 E114 F120 I121 M161 L165 F168 I229 L324I113-L117 HydrophobicContact CG2-CD1 4.01Å; I113-L117 HydrophobicContact CG2-CG 4.34Å; I113-L117 WeakPolarHBondContact O-CB 3.16Å; I113-L117 VanDerWaalsContact O-CG 3.3Å; I113-L117 WeakPolarHBondContact O-CG 3.45Å; I113-L117 PolarHBondContact O-N 3.16Å; E114-L117 WeakPolarHBondContact O-CB 3.38Å; E114-L117 PolarHBondContact O-N 2.92Å; L117-F120 PolarHBondContact O-N 3.35Å; L117-I121 WeakPolarHBondContact O-CB 3.44Å; L117-I121 WeakPolarHBondContact O-CD1 3.35Å; L117-I121 VanDerWaalsContact O-CG1 3.23Å; L117-I121 WeakPolarHBondContact O-CG1 3.21Å; L117-I121 PolarHBondContact O-N 3.41Å; L117-M161 HydrophobicContact CD2-CE 3.32Å; L117-L165 HydrophobicContact CB-CD1 4.12Å; L117-L165 HydrophobicContact CD1-CD1 4.21Å; L117-F168 HydrophobicContact CD1-CB 3.92Å; L117-F168 HydrophobicContact CD1-CD1 3.78Å; L117-F168 HydrophobicContact CD1-CD2 4.23Å; L117-F168 HydrophobicContact CD1-CE1 4.37Å; L117-F168 HydrophobicContact CD1-CG 3.7Å; L117-I229 HydrophobicContact CD1-CD1 4.15Å; L117-I229 HydrophobicContact CD2-CD1 4.36Å; L117-I229 HydrophobicContact CD2-CG2 3.84Å; L117-L324 HydrophobicContact CD2-CD1 4.19Å; L117-L324 HydrophobicContact CD2-CD2 3.91Å; L117-L324 HydrophobicContact CG-CD1 4.12Å
118E98.9Very high98.8Very high73 Ų7334.8 Ų34.834%0.34117%0.166SC..Hα-helixtrans-59-48.9178.6-72.5176.416000111.2E114 K115 F120 I121 D122 L165 K169E114-E118 WeakPolarHBondContact O-CG 3.48Å; E114-E118 PolarHBondContact O-N 2.87Å; K115-E118 PolarHBondContact O-N 3.47Å; E118-F120 VanDerWaalsContact C-N 3.31Å; E118-F120 PolarHBondContact O-N 3.48Å; E118-I121 WeakPolarHBondContact O-CB 3.38Å; E118-I121 PolarHBondContact O-N 3.12Å; E118-I121 VanDerWaalsContact O-N 3.15Å; E118-D122 PolarHBondContact O-N 3.2Å; E118-L165 HydrophobicContact CG-CD1 4.37Å; E118-L165 HydrophobicContact CG-CD2 4.02Å; E118-K169 IonicContact OE1-NZ 2.87Å
119R98.8Very high98.8Very high93 Ų9337.8 Ų37.835%0.35118%0.178SC..Hα-helixtrans-60.4-39.6176-176-176.456.7179-9.7112.4K115 D116 D122 V123 N325 T328K115-R119 WeakPolarHBondContact O-CB 3.48Å; K115-R119 PolarHBondContact O-N 2.98Å; D116-R119 IonicContact OD1-CZ 3.52Å; D116-R119 IonicContact OD1-NH2 3.25Å; D116-R119 PolarHBondContact OD1-NH2 3.11Å; R119-D122 PolarHBondContact O-N 3.36Å; R119-V123 PolarHBondContact O-N 2.97Å; R119-V123 VanDerWaalsContact O-N 3.12Å; R119-N325 PolarHBondContact NH1-OD1 2.86Å; R119-N325 PolarHBondContact NH2-ND2 3.46Å; R119-N325 PolarHBondContact NH2-OD1 3.14Å; R119-T328 HydrophobicContact CG-CG2 4.18Å
120F98.9Very high98.8Very high0 Ų042.4 Ų42.40%020%0.203CC..Hα-helixtrans-66.9-40177.3-174.7-135.4000111.8D116 L117 E118 D122 V123 L124 M161 L233 F236 L324 F327 T328 V331D116-F120 WeakPolarHBondContact O-CB 3.5Å; D116-F120 PolarHBondContact O-N 3.06Å; L117-F120 PolarHBondContact O-N 3.35Å; E118-F120 VanDerWaalsContact C-N 3.31Å; E118-F120 PolarHBondContact O-N 3.48Å; F120-D122 VanDerWaalsContact C-N 3.32Å; F120-D122 PolarHBondContact O-N 2.96Å; F120-V123 PolarHBondContact O-N 3.21Å; F120-L124 HydrophobicContact CD1-CD1 4.05Å; F120-L124 HydrophobicContact CD2-CD1 4.47Å; F120-L124 HydrophobicContact CD2-CG 4.31Å; F120-L124 HydrophobicContact CE1-CD1 3.7Å; F120-L124 HydrophobicContact CE1-CG 4.4Å; F120-L124 HydrophobicContact CE2-CD1 4.15Å; F120-L124 HydrophobicContact CE2-CD2 4.12Å; F120-L124 HydrophobicContact CE2-CG 3.95Å; F120-L124 HydrophobicContact CG-CD1 4.41Å; F120-L124 HydrophobicContact CZ-CD1 3.74Å; F120-L124 HydrophobicContact CZ-CD2 4.02Å; F120-L124 HydrophobicContact CZ-CG 3.98Å; F120-L124 WeakPolarHBondContact O-CG 3.49Å; F120-L124 PolarHBondContact O-N 3.42Å; F120-M161 HydrophobicContact CD1-CE 3.99Å; F120-M161 HydrophobicContact CD1-CG 3.95Å; F120-M161 HydrophobicContact CD1-SD 4.27Å; F120-M161 HydrophobicContact CE1-CE 4.4Å; F120-M161 HydrophobicContact CE1-CG 3.81Å; F120-M161 HydrophobicContact CE1-SD 4.1Å; F120-L233 HydrophobicContact CD1-CD2 4.05Å; F120-L233 HydrophobicContact CE1-CD2 3.5Å; F120-L233 VanDerWaalsContact CE1-CD2 3.5Å; F120-L233 HydrophobicContact CZ-CD2 4.14Å; F120-F236 HydrophobicContact CE1-CD2 4.08Å; F120-F236 HydrophobicContact CE1-CE2 4.01Å; F120-F236 HydrophobicContact CZ-CD2 4.04Å; F120-F236 HydrophobicContact CZ-CE2 4.36Å; F120-L324 HydrophobicContact CD1-CD2 4.35Å; F120-F327 HydrophobicContact CE1-CD1 4.27Å; F120-F327 AromaticContact CE2-CD1 3.85Å; F120-F327 HydrophobicContact CE2-CD1 3.85Å; F120-F327 HydrophobicContact CE2-CE1 4.3Å; F120-F327 AromaticContact CZ-CD1 3.5Å; F120-F327 HydrophobicContact CZ-CD1 3.5Å; F120-F327 VanDerWaalsContact CZ-CD1 3.5Å; F120-F327 AromaticContact CZ-CE1 3.74Å; F120-F327 HydrophobicContact CZ-CE1 3.74Å; F120-T328 VanDerWaalsContact CB-OG1 3.27Å; F120-T328 WeakPolarHBondContact CB-OG1 3.49Å; F120-T328 HydrophobicContact CD2-CG2 4.44Å; F120-T328 VanDerWaalsContact CD2-OG1 3.24Å; F120-T328 WeakPolarHBondContact CD2-OG1 3.17Å; F120-V331 HydrophobicContact CE2-CB 4.18Å; F120-V331 HydrophobicContact CE2-CG2 3.91Å; F120-V331 HydrophobicContact CZ-CG2 4.41Å
121I98.9Very high98.8Very high11 Ų1144.1 Ų44.16%0.05621%0.209CC..Hα-helixtrans-59.6-43.2174.4-72.8164000110.5L117 E118 L124 A125 Y158 M161 Q162 L165L117-I121 WeakPolarHBondContact O-CB 3.44Å; L117-I121 WeakPolarHBondContact O-CD1 3.35Å; L117-I121 VanDerWaalsContact O-CG1 3.23Å; L117-I121 WeakPolarHBondContact O-CG1 3.21Å; L117-I121 PolarHBondContact O-N 3.41Å; E118-I121 WeakPolarHBondContact O-CB 3.38Å; E118-I121 PolarHBondContact O-N 3.12Å; E118-I121 VanDerWaalsContact O-N 3.15Å; I121-L124 PolarHBondContact O-N 3.21Å; I121-A125 WeakPolarHBondContact O-CB 3.19Å; I121-A125 PolarHBondContact O-N 2.65Å; I121-Y158 HydrophobicContact CG2-CD2 3.74Å; I121-Y158 HydrophobicContact CG2-CE2 3.38Å; I121-Y158 WeakPolarHBondContact O-CD2 3.35Å; I121-M161 HydrophobicContact CD1-CB 4.2Å; I121-M161 HydrophobicContact CG1-CB 3.55Å; I121-Q162 HydrophobicContact CG2-CG 4.39Å; I121-L165 HydrophobicContact CD1-CB 3.84Å; I121-L165 HydrophobicContact CD1-CD2 3.78Å; I121-L165 HydrophobicContact CD1-CG 4.38Å
122D98.8Very high98.7Very high108 Ų10843.1 Ų43.158%0.57820%0.202SC*.Hα-helixtrans-62-45.8177.4-70.5-21.6000112.1E118 R119 F120 L124 A125 E126E118-D122 PolarHBondContact O-N 3.2Å; R119-D122 PolarHBondContact O-N 3.36Å; F120-D122 VanDerWaalsContact C-N 3.32Å; F120-D122 PolarHBondContact O-N 2.96Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.21Å; D122-A125 WeakPolarHBondContact O-CB 3.17Å; D122-A125 PolarHBondContact O-N 3.27Å; D122-E126 PolarHBondContact O-N 3.24Å
123V98.8Very high98.7Very high15 Ų1548.1 Ų48.19%0.09122%0.221CC..Hα-helixtrans-61.1-41.1176.2167.30000111.6R119 F120 E126 K127 T328 V331 D332R119-V123 PolarHBondContact O-N 2.97Å; R119-V123 VanDerWaalsContact O-N 3.12Å; F120-V123 PolarHBondContact O-N 3.21Å; V123-E126 PolarHBondContact O-N 3.36Å; V123-K127 WeakPolarHBondContact O-CG 3.25Å; V123-K127 PolarHBondContact O-N 2.94Å; V123-T328 HydrophobicContact CB-CG2 4.34Å; V123-T328 HydrophobicContact CG2-CG2 3.78Å; V123-V331 HydrophobicContact CG1-CB 4.22Å; V123-V331 HydrophobicContact CG1-CG1 3.9Å; V123-D332 HydrophobicContact CG1-CB 3.82Å; V123-D332 HydrophobicContact CG2-CB 4.25Å
124L98.9Very high98.7Very high0 Ų048.6 Ų48.60%022%0.224CC..Hα-helixtrans-64.7-40.4175.6-71171.4000111.9F120 I121 D122 K127 A128 M154 W157 Y158 M161 V331F120-L124 HydrophobicContact CD1-CD1 4.05Å; F120-L124 HydrophobicContact CD2-CD1 4.47Å; F120-L124 HydrophobicContact CD2-CG 4.31Å; F120-L124 HydrophobicContact CE1-CD1 3.7Å; F120-L124 HydrophobicContact CE1-CG 4.4Å; F120-L124 HydrophobicContact CE2-CD1 4.15Å; F120-L124 HydrophobicContact CE2-CD2 4.12Å; F120-L124 HydrophobicContact CE2-CG 3.95Å; F120-L124 HydrophobicContact CG-CD1 4.41Å; F120-L124 HydrophobicContact CZ-CD1 3.74Å; F120-L124 HydrophobicContact CZ-CD2 4.02Å; F120-L124 HydrophobicContact CZ-CG 3.98Å; F120-L124 WeakPolarHBondContact O-CG 3.49Å; F120-L124 PolarHBondContact O-N 3.42Å; I121-L124 PolarHBondContact O-N 3.21Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.21Å; L124-K127 PolarHBondContact O-N 3.28Å; L124-A128 VanDerWaalsContact O-CB 3.32Å; L124-A128 WeakPolarHBondContact O-CB 3.44Å; L124-A128 PolarHBondContact O-N 2.84Å; L124-M154 HydrophobicContact CD2-SD 4.18Å; L124-W157 HydrophobicContact CD1-CB 4.14Å; L124-W157 HydrophobicContact CD2-CB 3.89Å; L124-W157 HydrophobicContact CD2-CE3 3.81Å; L124-Y158 HydrophobicContact CB-CD2 4.45Å; L124-M161 HydrophobicContact CD1-CB 4.16Å; L124-M161 HydrophobicContact CD1-CG 3.69Å; L124-V331 HydrophobicContact CD2-CG1 4.09Å
125A98.8Very high98.6Very high13 Ų1347.5 Ų47.511%0.10722%0.219CC..Hα-helixtrans-62.3-45.4176.400000111.3I121 D122 A128 K129 Y158 L430I121-A125 WeakPolarHBondContact O-CB 3.19Å; I121-A125 PolarHBondContact O-N 2.65Å; D122-A125 WeakPolarHBondContact O-CB 3.17Å; D122-A125 PolarHBondContact O-N 3.27Å; A125-A128 PolarHBondContact O-N 3.46Å; A125-K129 WeakPolarHBondContact O-CG 3.37Å; A125-K129 PolarHBondContact O-N 2.96Å; A125-Y158 HydrophobicContact CB-CD2 3.76Å; A125-Y158 HydrophobicContact CB-CE2 3.64Å; A125-L430 HydrophobicContact CB-CD2 3.67Å
126E98.6Very high98.6Very high100 Ų10041.2 Ų41.247%0.46719%0.192SC..Hα-helixtrans-62-48.2177.7-163.9-164.8148.100111.1D122 V123 A128 K129 N130D122-E126 PolarHBondContact O-N 3.24Å; V123-E126 PolarHBondContact O-N 3.36Å; E126-A128 VanDerWaalsContact C-N 3.33Å; E126-A128 PolarHBondContact O-N 2.94Å; E126-K129 PolarHBondContact O-N 3.42Å; E126-N130 WeakPolarHBondContact O-CB 3.47Å; E126-N130 VanDerWaalsContact O-CG 3.24Å; E126-N130 PolarHBondContact O-N 3.09Å; E126-N130 PolarHBondContact O-ND2 3.29Å; E126-N130 PolarHBondContact OE1-ND2 3.43Å
127K98.5Very high98.6Very high19 Ų1940.8 Ų40.88%0.08319%0.189CC..Hα-helixtrans-61.2-40.8176.3-70.8-67177.5178.90112.5V123 L124 K129 Y131 M154 V331 D332V123-K127 WeakPolarHBondContact O-CG 3.25Å; V123-K127 PolarHBondContact O-N 2.94Å; L124-K127 PolarHBondContact O-N 3.28Å; K127-K129 PolarHBondContact O-N 3.18Å; K127-Y131 HydrophobicContact CD-CD2 4.3Å; K127-Y131 HydrophobicContact CD-CE2 3.8Å; K127-Y131 VanDerWaalsContact O-CD2 3.29Å; K127-Y131 WeakPolarHBondContact O-CD2 3.13Å; K127-Y131 PolarHBondContact O-N 2.85Å; K127-Y131 VanDerWaalsContact O-N 3.14Å; K127-M154 HydrophobicContact CB-CB 4.46Å; K127-M154 HydrophobicContact CB-CG 4Å; K127-M154 HydrophobicContact CB-SD 4.12Å; K127-V331 WeakPolarHBondContact CE-O 3.21Å; K127-V331 HydrophobicContact CG-CG1 4.19Å; K127-D332 WeakPolarHBondContact CE-O 3.32Å; K127-D332 PolarHBondContact NZ-O 3.49Å
128A98.7Very high98.6Very high0 Ų041.3 Ų41.30%020%0.195CC..Hα-helixtrans-59.2-47.3175.600000111.4L124 A125 E126 K132 G151 M154 A155 F425 L430L124-A128 VanDerWaalsContact O-CB 3.32Å; L124-A128 WeakPolarHBondContact O-CB 3.44Å; L124-A128 PolarHBondContact O-N 2.84Å; A125-A128 PolarHBondContact O-N 3.46Å; E126-A128 VanDerWaalsContact C-N 3.33Å; E126-A128 PolarHBondContact O-N 2.94Å; A128-K132 WeakPolarHBondContact O-CA 3.06Å; A128-K132 PolarHBondContact O-N 3.41Å; A128-K132 VanDerWaalsContact O-N 3.07Å; A128-G151 WeakPolarHBondContact O-CA 3.47Å; A128-M154 HydrophobicContact CB-CB 3.72Å; A128-A155 HydrophobicContact CB-CB 4.27Å; A128-F425 HydrophobicContact CB-CE1 4.13Å; A128-F425 HydrophobicContact CB-CZ 4.21Å; A128-F425 VanDerWaalsContact O-CE1 3.32Å; A128-F425 WeakPolarHBondContact O-CE1 3.48Å; A128-F425 VanDerWaalsContact O-CZ 3.23Å; A128-F425 WeakPolarHBondContact O-CZ 3.12Å; A128-L430 HydrophobicContact CB-CD1 3.81Å
129K98.6Very high98.6Very high109 Ų10941.3 Ų41.347%0.47419%0.192SC..Hα-helixtrans-65.3-46.3179.2-70.6176.8-179.2-171.60112.3A125 E126 K127 Y131 K132 L430A125-K129 WeakPolarHBondContact O-CG 3.37Å; A125-K129 PolarHBondContact O-N 2.96Å; E126-K129 PolarHBondContact O-N 3.42Å; K127-K129 PolarHBondContact O-N 3.18Å; K129-Y131 VanDerWaalsContact C-N 3.27Å; K129-Y131 PolarHBondContact O-N 2.8Å; K129-K132 WeakPolarHBondContact O-CB 3.33Å; K129-K132 PolarHBondContact O-N 2.82Å; K129-L430 VanDerWaalsContact CE-O 3.31Å; K129-L430 WeakPolarHBondContact CE-O 3.47Å
130N98.3Very high98.5Very high96 Ų9640.8 Ų40.851%0.51320%0.199SC..Hα-helixtrans-61.3-35.3-178.8-71.6-14.3000112.6E126E126-N130 WeakPolarHBondContact O-CB 3.47Å; E126-N130 VanDerWaalsContact O-CG 3.24Å; E126-N130 PolarHBondContact O-N 3.09Å; E126-N130 PolarHBondContact O-ND2 3.29Å; E126-N130 PolarHBondContact OE1-ND2 3.43Å
131Y98.5Very high98.5Very high37 Ų3750 Ų5015%0.14524%0.242CC..THydrogen-bonded Turntrans-109.422.9-178-59.8-68.6000113.5K127 K129 Y133 T134 F150 G151 V336K127-Y131 HydrophobicContact CD-CD2 4.3Å; K127-Y131 HydrophobicContact CD-CE2 3.8Å; K127-Y131 VanDerWaalsContact O-CD2 3.29Å; K127-Y131 WeakPolarHBondContact O-CD2 3.13Å; K127-Y131 PolarHBondContact O-N 2.85Å; K127-Y131 VanDerWaalsContact O-N 3.14Å; K129-Y131 VanDerWaalsContact C-N 3.27Å; K129-Y131 PolarHBondContact O-N 2.8Å; Y131-Y133 VanDerWaalsContact C-N 3.25Å; Y131-Y133 PolarHBondContact O-N 2.86Å; Y131-Y133 VanDerWaalsContact O-N 3.12Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.05Å; Y131-T134 HydrophobicContact CD1-CG2 4.4Å; Y131-T134 WeakPolarHBondContact CD1-OG1 3.08Å; Y131-T134 PolarHBondContact O-N 2.79Å; Y131-F150 HydrophobicContact CD1-CD1 4.44Å; Y131-F150 AromaticContact CD2-CD1 3.75Å; Y131-F150 HydrophobicContact CD2-CD1 3.75Å; Y131-F150 AromaticContact CD2-CE1 3.92Å; Y131-F150 HydrophobicContact CD2-CE1 3.92Å; Y131-F150 HydrophobicContact CE2-CE1 4.35Å; Y131-F150 AromaticContact CG-CD1 3.72Å; Y131-F150 HydrophobicContact CG-CD1 3.72Å; Y131-F150 HydrophobicContact CG-CE1 4.33Å; Y131-G151 WeakPolarHBondContact O-CA 3.42Å; Y131-G151 PolarHBondContact O-N 3Å; Y131-V336 HydrophobicContact CD1-CG1 4.1Å; Y131-V336 HydrophobicContact CD2-CG2 4.34Å; Y131-V336 HydrophobicContact CE1-CB 3.77Å; Y131-V336 HydrophobicContact CE1-CG1 3.79Å; Y131-V336 HydrophobicContact CE1-CG2 4.08Å; Y131-V336 HydrophobicContact CE2-CB 4.28Å; Y131-V336 HydrophobicContact CE2-CG2 3.67Å
132K98.4Very high98.4Very high37 Ų3752.7 Ų52.716%0.16127%0.272CS..THydrogen-bonded Turntrans-46.6-47.2-174-178.3174.1-170.2-171.10112.9A128 K129 T149 V421 D422 F425A128-K132 WeakPolarHBondContact O-CA 3.06Å; A128-K132 PolarHBondContact O-N 3.41Å; A128-K132 VanDerWaalsContact O-N 3.07Å; K129-K132 WeakPolarHBondContact O-CB 3.33Å; K129-K132 PolarHBondContact O-N 2.82Å; K132-T149 VanDerWaalsContact O-CB 3.23Å; K132-T149 WeakPolarHBondContact O-CB 3.45Å; K132-T149 WeakPolarHBondContact O-CG2 3.43Å; K132-T149 PolarHBondContact O-OG1 3.24Å; K132-V421 HydrophobicContact CG-CG1 3.74Å; K132-V421 WeakPolarHBondContact O-CG1 3.45Å; K132-D422 WeakPolarHBondContact CE-OD1 3.18Å; K132-D422 IonicContact NZ-OD1 2.95Å; K132-D422 PolarHBondContact NZ-OD1 3.01Å; K132-F425 HydrophobicContact CB-CE1 3.96Å; K132-F425 HydrophobicContact CB-CE2 4.49Å; K132-F425 HydrophobicContact CB-CZ 3.89Å; K132-F425 HydrophobicContact CD-CD1 3.91Å; K132-F425 HydrophobicContact CD-CE1 4.08Å; K132-F425 HydrophobicContact CD-CG 4.18Å; K132-F425 HydrophobicContact CD-CZ 4.48Å; K132-F425 HydrophobicContact CG-CD1 4Å; K132-F425 HydrophobicContact CG-CD2 4.12Å; K132-F425 HydrophobicContact CG-CE1 3.74Å; K132-F425 HydrophobicContact CG-CE2 3.86Å; K132-F425 HydrophobicContact CG-CG 4.2Å; K132-F425 HydrophobicContact CG-CZ 3.68Å
133Y98.3Very high98.3Very high121 Ų12152 Ų5248%0.47527%0.272SS..THydrogen-bonded Turntrans-107.89.8-178-54.8-72000114.3Y131 L135 V421 D422Y131-Y133 VanDerWaalsContact C-N 3.25Å; Y131-Y133 PolarHBondContact O-N 2.86Å; Y131-Y133 VanDerWaalsContact O-N 3.12Å; Y133-L135 PolarHBondContact O-N 2.87Å; Y133-V421 HydrophobicContact CD1-CB 4.37Å; Y133-V421 HydrophobicContact CD1-CG1 4.01Å; Y133-V421 HydrophobicContact CE1-CB 4.22Å; Y133-V421 HydrophobicContact CE1-CG1 3.96Å; Y133-D422 VanDerWaalsContact OH-CG 3.31Å; Y133-D422 PolarHBondContact OH-OD1 3.36Å; Y133-D422 PolarHBondContact OH-OD2 2.96Å
134T98.3Very high98.3Very high10 Ų1053.5 Ų53.56%0.06128%0.278CS..  trans-68.698.9177.1-60.30000109.1Y131 T149 F150 E338 M341Y131-T134 WeakPolarHBondContact CA-OG1 3.05Å; Y131-T134 HydrophobicContact CD1-CG2 4.4Å; Y131-T134 WeakPolarHBondContact CD1-OG1 3.08Å; Y131-T134 PolarHBondContact O-N 2.79Å; T134-T149 CarbonylContact O-C 3.5Å; T134-T149 WeakPolarHBondContact O-CA 3.26Å; T134-T149 WeakPolarHBondContact O-CB 3.31Å; T134-F150 HydrophobicContact CG2-CB 4.25Å; T134-F150 PolarHBondContact O-N 3.02Å; T134-E338 HydrophobicContact CG2-CB 4.1Å; T134-E338 HydrophobicContact CG2-CG 3.64Å; T134-E338 VanDerWaalsContact CG2-OE2 3.32Å; T134-E338 WeakPolarHBondContact CG2-OE2 3.47Å; T134-E338 PolarHBondContact OG1-OE2 2.92Å; T134-M341 HydrophobicContact CG2-SD 3.68Å
135L97.7Very high98.3Very high14 Ų1455 Ų557%0.07329%0.291CS..EExtended strand (participates in β ladder)trans-66.6132.9-176.1-167.176.7000110.6Y133 P147 M341 I345 P414 L418Y133-L135 PolarHBondContact O-N 2.87Å; L135-P147 HydrophobicContact CD1-CB 3.85Å; L135-P147 HydrophobicContact CG-CB 4.38Å; L135-M341 WeakPolarHBondContact O-CB 3.31Å; L135-I345 HydrophobicContact CB-CD1 4.37Å; L135-I345 HydrophobicContact CD2-CD1 3.49Å; L135-I345 VanDerWaalsContact CD2-CD1 3.49Å; L135-I345 HydrophobicContact CG-CD1 3.61Å; L135-P414 HydrophobicContact CD2-CB 3.71Å; L135-P414 HydrophobicContact CD2-CG 4.42Å; L135-L418 HydrophobicContact CD1-CD2 3.68Å; L135-L418 HydrophobicContact CD1-CG 4.16Å
136M98.6Very high98.2Very high0 Ų057.9 Ų57.90%030%0.302CS..EExtended strand (participates in β ladder)trans-144.3169175.573.5177.4-54.900110.8G138 T148 F150 K153 L243 E250 M341M136-G138 PolarHBondContact O-N 3.19Å; M136-T148 HydrophobicContact CG-CG2 3.8Å; M136-T148 PolarHBondContact N-O 2.85Å; M136-T148 PolarHBondContact O-N 2.75Å; M136-T148 HydrophobicContact SD-CG2 4.45Å; M136-F150 HydrophobicContact CE-CD2 4.35Å; M136-F150 VanDerWaalsContact SD-CA 3.59Å; M136-F150 HydrophobicContact SD-CB 3.86Å; M136-F150 HydrophobicContact SD-CD2 3.77Å; M136-F150 HydrophobicContact SD-CG 4.32Å; M136-K153 HydrophobicContact SD-CD 4.39Å; M136-K153 WeakPolarHBondContact SD-CE 3.39Å; M136-L243 HydrophobicContact CE-CD1 4.37Å; M136-L243 HydrophobicContact CE-CD2 4.08Å; M136-E250 WeakPolarHBondContact CE-OE2 3.28Å; M136-M341 HydrophobicContact CB-CB 3.94Å; M136-M341 HydrophobicContact CB-CG 4.01Å; M136-M341 HydrophobicContact CB-SD 3.94Å; M136-M341 HydrophobicContact CE-CE 4.32Å
137M98.4Very high98.1Very high0 Ų053.6 Ų53.60%028%0.283CS..EExtended strand (participates in β ladder)trans-78.2121.6176.4-158.667.5-109.300112.1R139 H144 A145 E146 P147 I345 I352M137-R139 PolarHBondContact O-NH1 3.45Å; M137-R139 VanDerWaalsContact O-NH1 3.09Å; M137-H144 HydrophobicContact CG-CB 3.85Å; M137-H144 VanDerWaalsContact CG-CD2 3.49Å; M137-H144 WeakPolarHBondContact CG-CD2 3.28Å; M137-H144 VanDerWaalsContact CG-CG 3.41Å; M137-H144 HydrophobicContact SD-CB 4.14Å; M137-A145 VanDerWaalsContact CE-O 3.31Å; M137-A145 WeakPolarHBondContact CE-O 3.39Å; M137-E146 WeakPolarHBondContact CE-O 3.46Å; M137-P147 HydrophobicContact CE-CG 4.24Å; M137-P147 VanDerWaalsContact CE-N 3.27Å; M137-I345 HydrophobicContact CB-CG1 4.31Å; M137-I345 HydrophobicContact SD-CB 4.46Å; M137-I345 HydrophobicContact SD-CG1 4.21Å; M137-I345 HydrophobicContact SD-CG2 4.4Å; M137-I352 HydrophobicContact CE-CB 4.24Å; M137-I352 HydrophobicContact CE-CD1 4.37Å; M137-I352 HydrophobicContact CE-CG2 3.85Å; M137-I352 HydrophobicContact SD-CD1 4.06Å; M137-I352 HydrophobicContact SD-CG2 3.71Å
138G98.4Very high98.1Very high12 Ų1254.6 Ų54.612%0.12429%0.29CS..EExtended strand (participates in β ladder)trans-68.5141.2163.500000110.4M136 A145 E146M136-G138 PolarHBondContact O-N 3.19Å; G138-A145 PolarHBondContact O-N 2.79Å; G138-E146 VanDerWaalsContact CA-O 3.24Å; G138-E146 WeakPolarHBondContact CA-O 3.24Å; G138-E146 PolarHBondContact N-O 3.47Å
139R98.7Very high98.1Very high73 Ų7354.6 Ų54.628%0.27529%0.291SS..EExtended strand (participates in β ladder)trans-130.9125.8-174.3-65.4170.8178.696.3-7.7111.1M137 V143 E250M137-R139 PolarHBondContact O-NH1 3.45Å; M137-R139 VanDerWaalsContact O-NH1 3.09Å; R139-V143 WeakPolarHBondContact CA-O 3.16Å; R139-E250 IonicContact CZ-OE1 2.72Å; R139-E250 IonicContact CZ-OE2 3.38Å; R139-E250 IonicContact NH1-OE1 3.99Å; R139-E250 IonicContact NH1-OE2 2.86Å; R139-E250 PolarHBondContact NH1-OE2 3.33Å; R139-E250 VanDerWaalsContact NH2-CD 3.31Å; R139-E250 IonicContact NH2-OE1 3.76Å; R139-E250 PolarHBondContact NH2-OE1 3.09Å; R139-E250 IonicContact NH2-OE2 2.77Å; R139-E250 PolarHBondContact NH2-OE2 3.17Å
140T98.1Very high98.1Very high82 Ų8249.5 Ų49.550%0.50327%0.268SS..EExtended strand (participates in β ladder)trans-120.4137.4170.4610000107.9G142 V143 A145T140-G142 PolarHBondContact O-N 3.27Å; T140-V143 PolarHBondContact N-O 3.39Å; T140-V143 VanDerWaalsContact N-O 3.09Å; T140-V143 PolarHBondContact O-N 3.33Å; T140-A145 HydrophobicContact CG2-CB 4.18Å
141H97.7Very high98.2Very high192 Ų19244.9 Ų44.989%0.88924%0.244SC*.THydrogen-bonded Turntrans55.720.2-172.2-47.7-83000114.7V143H141-V143 VanDerWaalsContact C-N 3.27Å; H141-V143 PolarHBondContact O-N 3.04Å
142G97.3Very high98.2Very high68 Ų6844.5 Ų44.570%0.70125%0.245SC*.THydrogen-bonded Turntrans76.57.8-173.500000114.9T140T140-G142 PolarHBondContact O-N 3.27Å
143V97.6Very high98.2Very high93 Ų9344.5 Ų44.556%0.56425%0.245SC*.EExtended strand (participates in β ladder)trans-108.1149.8-179.5-176.90000109.9R139 T140 H141 A145R139-V143 WeakPolarHBondContact CA-O 3.16Å; T140-V143 PolarHBondContact N-O 3.39Å; T140-V143 VanDerWaalsContact N-O 3.09Å; T140-V143 PolarHBondContact O-N 3.33Å; H141-V143 VanDerWaalsContact C-N 3.27Å; H141-V143 PolarHBondContact O-N 3.04Å; V143-A145 PolarHBondContact O-N 3.29Å
144H98.2Very high98.2Very high47 Ų4738.8 Ų38.822%0.21822%0.223CC..EExtended strand (participates in β ladder)trans-58.4126.2174-72.915.5000111.1M137 N344 T348 I352M137-H144 HydrophobicContact CG-CB 3.85Å; M137-H144 VanDerWaalsContact CG-CD2 3.49Å; M137-H144 WeakPolarHBondContact CG-CD2 3.28Å; M137-H144 VanDerWaalsContact CG-CG 3.41Å; M137-H144 HydrophobicContact SD-CB 4.14Å; H144-N344 PolarHBondContact NE2-O 3.29Å; H144-T348 HydrophobicContact CB-CG2 4.01Å; H144-T348 WeakPolarHBondContact CD2-CG2 3.5Å; H144-I352 HydrophobicContact CB-CG2 4.12Å
145A98Very high98.2Very high33 Ų3338.4 Ų38.427%0.27322%0.221SC..EExtended strand (participates in β ladder)trans-109.3-112.8174.300000109.4M137 G138 T140 V143 I352M137-A145 VanDerWaalsContact CE-O 3.31Å; M137-A145 WeakPolarHBondContact CE-O 3.39Å; G138-A145 PolarHBondContact O-N 2.79Å; T140-A145 HydrophobicContact CG2-CB 4.18Å; V143-A145 PolarHBondContact O-N 3.29Å; A145-I352 WeakPolarHBondContact O-CB 3.44Å; A145-I352 WeakPolarHBondContact O-CG2 3.46Å
146E97.5Very high98.3Very high72 Ų7242.2 Ų42.234%0.33624%0.241SC..EExtended strand (participates in β ladder)trans-110.2152.2174.4-66.3-175.8153.600111.4M137 G138 Q355M137-E146 WeakPolarHBondContact CE-O 3.46Å; G138-E146 VanDerWaalsContact CA-O 3.24Å; G138-E146 WeakPolarHBondContact CA-O 3.24Å; G138-E146 PolarHBondContact N-O 3.47Å; E146-Q355 PolarHBondContact OE1-OE1 3.22Å
147P97.6Very high98.3Very high10 Ų1042.7 Ų42.77%0.06524%0.242CC..EExtended strand (participates in β ladder)trans-55.4145.5175.7-26.134.2000113L135 M137 I352 H417L135-P147 HydrophobicContact CD1-CB 3.85Å; L135-P147 HydrophobicContact CG-CB 4.38Å; M137-P147 HydrophobicContact CE-CG 4.24Å; M137-P147 VanDerWaalsContact CE-N 3.27Å; P147-I352 HydrophobicContact CG-CD1 3.89Å; P147-H417 HydrophobicContact CB-CB 4.01Å
148T98.5Very high98.3Very high40 Ų4044 Ų4425%0.24525%0.248CC..EExtended strand (participates in β ladder)trans-138.2-171.2171.3-167.10000108.7M136M136-T148 HydrophobicContact CG-CG2 3.8Å; M136-T148 PolarHBondContact N-O 2.85Å; M136-T148 PolarHBondContact O-N 2.75Å; M136-T148 HydrophobicContact SD-CG2 4.45Å
149T98.6Very high98.3Very high1 Ų144.9 Ų44.91%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-117.5149.8171.577.70000112K132 T134 G151 V152 K153 L418 V421K132-T149 VanDerWaalsContact O-CB 3.23Å; K132-T149 WeakPolarHBondContact O-CB 3.45Å; K132-T149 WeakPolarHBondContact O-CG2 3.43Å; K132-T149 PolarHBondContact O-OG1 3.24Å; T134-T149 CarbonylContact O-C 3.5Å; T134-T149 WeakPolarHBondContact O-CA 3.26Å; T134-T149 WeakPolarHBondContact O-CB 3.31Å; T149-G151 PolarHBondContact O-N 3.1Å; T149-V152 PolarHBondContact O-N 3.43Å; T149-V152 WeakPolarHBondContact OG1-CG2 3.5Å; T149-V152 PolarHBondContact OG1-N 2.94Å; T149-K153 PolarHBondContact O-N 3.48Å; T149-L418 HydrophobicContact CG2-CD2 3.3Å; T149-V421 HydrophobicContact CG2-CG2 3.83Å
150F98.7Very high98.3Very high1 Ų142.7 Ų42.70%0.00424%0.244CC..Hα-helixtrans-62.3-33.5172.7-170.6-115.8000111.3Y131 T134 M136 V152 K153 M154 L243 V251 L334 V336 M341Y131-F150 HydrophobicContact CD1-CD1 4.44Å; Y131-F150 AromaticContact CD2-CD1 3.75Å; Y131-F150 HydrophobicContact CD2-CD1 3.75Å; Y131-F150 AromaticContact CD2-CE1 3.92Å; Y131-F150 HydrophobicContact CD2-CE1 3.92Å; Y131-F150 HydrophobicContact CE2-CE1 4.35Å; Y131-F150 AromaticContact CG-CD1 3.72Å; Y131-F150 HydrophobicContact CG-CD1 3.72Å; Y131-F150 HydrophobicContact CG-CE1 4.33Å; T134-F150 HydrophobicContact CG2-CB 4.25Å; T134-F150 PolarHBondContact O-N 3.02Å; M136-F150 HydrophobicContact CE-CD2 4.35Å; M136-F150 VanDerWaalsContact SD-CA 3.59Å; M136-F150 HydrophobicContact SD-CB 3.86Å; M136-F150 HydrophobicContact SD-CD2 3.77Å; M136-F150 HydrophobicContact SD-CG 4.32Å; F150-V152 PolarHBondContact O-N 2.77Å; F150-K153 HydrophobicContact CD2-CD 4.22Å; F150-K153 HydrophobicContact CE2-CD 4.3Å; F150-K153 WeakPolarHBondContact O-CB 3.34Å; F150-K153 PolarHBondContact O-N 3.32Å; F150-M154 HydrophobicContact CD1-CE 4.44Å; F150-M154 HydrophobicContact CD1-CG 4.45Å; F150-M154 HydrophobicContact CE1-CE 3.49Å; F150-M154 VanDerWaalsContact CE1-CE 3.49Å; F150-M154 HydrophobicContact CE1-CG 4.24Å; F150-M154 HydrophobicContact CE2-CE 3.72Å; F150-M154 HydrophobicContact CZ-CE 3.07Å; F150-M154 WeakPolarHBondContact O-CG 3.42Å; F150-M154 PolarHBondContact O-N 2.66Å; F150-L243 HydrophobicContact CE2-CD1 4.07Å; F150-V251 HydrophobicContact CE2-CG1 3.79Å; F150-V251 HydrophobicContact CZ-CG1 3.7Å; F150-L334 HydrophobicContact CZ-CD2 4.18Å; F150-V336 HydrophobicContact CD1-CG1 4.1Å; F150-V336 HydrophobicContact CD1-CG2 4.21Å; F150-V336 HydrophobicContact CE1-CG1 4.15Å; F150-V336 HydrophobicContact CE1-CG2 3.51Å; F150-V336 HydrophobicContact CZ-CG2 4.06Å; F150-M341 HydrophobicContact CB-CE 3.99Å; F150-M341 HydrophobicContact CB-SD 4.03Å; F150-M341 HydrophobicContact CD1-CE 4.24Å; F150-M341 HydrophobicContact CD2-CE 3.48Å; F150-M341 VanDerWaalsContact CD2-CE 3.48Å; F150-M341 HydrophobicContact CE2-CE 3.9Å; F150-M341 HydrophobicContact CG-CE 3.65Å; F150-M341 HydrophobicContact CG-SD 4.33Å; F150-M341 HydrophobicContact CZ-CE 4.43Å
151G98.6Very high98.4Very high0 Ų038.8 Ų38.80%022%0.22CC..Hα-helixtrans-58.9-43.6171.100000113.4A128 Y131 T149 K153 M154 A155A128-G151 WeakPolarHBondContact O-CA 3.47Å; Y131-G151 WeakPolarHBondContact O-CA 3.42Å; Y131-G151 PolarHBondContact O-N 3Å; T149-G151 PolarHBondContact O-N 3.1Å; G151-K153 VanDerWaalsContact C-N 3.31Å; G151-K153 PolarHBondContact O-N 3.27Å; G151-M154 PolarHBondContact O-N 3.28Å; G151-A155 WeakPolarHBondContact O-CB 3.47Å; G151-A155 PolarHBondContact O-N 3.2Å
152V98.6Very high98.4Very high28 Ų2832.8 Ų32.817%0.1719%0.192CC..Hα-helixtrans-63.3-37.4174.8168.20000111.4T149 F150 A155 L156 V421 I424 F425T149-V152 PolarHBondContact O-N 3.43Å; T149-V152 WeakPolarHBondContact OG1-CG2 3.5Å; T149-V152 PolarHBondContact OG1-N 2.94Å; F150-V152 PolarHBondContact O-N 2.77Å; V152-A155 PolarHBondContact O-N 3.45Å; V152-L156 PolarHBondContact O-N 3.04Å; V152-V421 HydrophobicContact CG2-CG1 4.45Å; V152-V421 HydrophobicContact CG2-CG2 4.37Å; V152-I424 HydrophobicContact CG2-CD1 4.32Å; V152-I424 HydrophobicContact CG2-CG2 4.32Å; V152-F425 HydrophobicContact CG2-CE2 4.08Å
153K98.7Very high98.5Very high37 Ų3734 Ų3416%0.16118%0.175CC..Hα-helixtrans-63.2-41.2174.6-172.2-176.3-64.1-720112M136 T149 F150 G151 L156 W157 E239 L243M136-K153 HydrophobicContact SD-CD 4.39Å; M136-K153 WeakPolarHBondContact SD-CE 3.39Å; T149-K153 PolarHBondContact O-N 3.48Å; F150-K153 HydrophobicContact CD2-CD 4.22Å; F150-K153 HydrophobicContact CE2-CD 4.3Å; F150-K153 WeakPolarHBondContact O-CB 3.34Å; F150-K153 PolarHBondContact O-N 3.32Å; G151-K153 VanDerWaalsContact C-N 3.31Å; G151-K153 PolarHBondContact O-N 3.27Å; K153-L156 WeakPolarHBondContact O-CB 3.37Å; K153-L156 PolarHBondContact O-N 2.93Å; K153-W157 HydrophobicContact CG-CZ2 4.42Å; K153-W157 PolarHBondContact O-N 2.96Å; K153-E239 HydrophobicContact CD-CG 4.02Å; K153-E239 VanDerWaalsContact CE-OE1 3.28Å; K153-E239 WeakPolarHBondContact CE-OE1 3.18Å; K153-E239 IonicContact NZ-OE1 2.66Å; K153-E239 PolarHBondContact NZ-OE1 3.31Å; K153-L243 HydrophobicContact CD-CD1 4.31Å
154M98.7Very high98.6Very high1 Ų129.7 Ų29.71%0.00515%0.149CC..Hα-helixtrans-69.2-39.7174.8-69.8-64.5165.500112.1L124 K127 A128 F150 G151 L156 W157 Y158 L334L124-M154 HydrophobicContact CD2-SD 4.18Å; K127-M154 HydrophobicContact CB-CB 4.46Å; K127-M154 HydrophobicContact CB-CG 4Å; K127-M154 HydrophobicContact CB-SD 4.12Å; A128-M154 HydrophobicContact CB-CB 3.72Å; F150-M154 HydrophobicContact CD1-CE 4.44Å; F150-M154 HydrophobicContact CD1-CG 4.45Å; F150-M154 HydrophobicContact CE1-CE 3.49Å; F150-M154 VanDerWaalsContact CE1-CE 3.49Å; F150-M154 HydrophobicContact CE1-CG 4.24Å; F150-M154 HydrophobicContact CE2-CE 3.72Å; F150-M154 HydrophobicContact CZ-CE 3.07Å; F150-M154 WeakPolarHBondContact O-CG 3.42Å; F150-M154 PolarHBondContact O-N 2.66Å; G151-M154 PolarHBondContact O-N 3.28Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 3.02Å; M154-W157 HydrophobicContact CE-CE3 4.09Å; M154-W157 HydrophobicContact CE-CH2 4.19Å; M154-W157 HydrophobicContact CE-CZ3 3.61Å; M154-W157 WeakPolarHBondContact O-CB 3.43Å; M154-W157 PolarHBondContact O-N 3.18Å; M154-W157 VanDerWaalsContact O-N 3.08Å; M154-W157 HydrophobicContact SD-CD2 4.41Å; M154-W157 HydrophobicContact SD-CE3 3.6Å; M154-W157 HydrophobicContact SD-CZ3 3.78Å; M154-Y158 WeakPolarHBondContact O-CB 3.47Å; M154-Y158 PolarHBondContact O-N 3.35Å; M154-L334 HydrophobicContact CE-CD2 4.37Å
155A98.7Very high98.6Very high3 Ų328.6 Ų28.63%0.02514%0.144CC..Hα-helixtrans-61.2-35.4174.600000112.1A128 G151 V152 W157 Y158 T159 F425 L430A128-A155 HydrophobicContact CB-CB 4.27Å; G151-A155 WeakPolarHBondContact O-CB 3.47Å; G151-A155 PolarHBondContact O-N 3.2Å; V152-A155 PolarHBondContact O-N 3.45Å; A155-W157 VanDerWaalsContact C-N 3.34Å; A155-Y158 PolarHBondContact O-N 3.14Å; A155-T159 WeakPolarHBondContact O-CG2 3.45Å; A155-T159 PolarHBondContact O-N 2.95Å; A155-T159 PolarHBondContact O-OG1 3.46Å; A155-T159 VanDerWaalsContact O-OG1 3.09Å; A155-F425 HydrophobicContact CB-CE2 4.43Å; A155-F425 HydrophobicContact CB-CZ 4.48Å; A155-L430 HydrophobicContact CB-CD1 3.71Å
156L98.9Very high98.6Very high94 Ų9433.1 Ų33.149%0.49216%0.16SC..Hα-helixtrans-61.8-42.1172.7179.266.5000111.8V152 K153 M154 T159 E160V152-L156 PolarHBondContact O-N 3.04Å; K153-L156 WeakPolarHBondContact O-CB 3.37Å; K153-L156 PolarHBondContact O-N 2.93Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 3.02Å; L156-T159 PolarHBondContact O-OG1 2.99Å; L156-E160 WeakPolarHBondContact O-CB 3.48Å; L156-E160 PolarHBondContact O-N 3.43Å; L156-E160 VanDerWaalsContact O-N 3.15Å
157W98.9Very high98.7Very high9 Ų933.7 Ų33.73%0.03416%0.159CC..Hα-helixtrans-70-43.3177.8-62.2-0.7000111.3L124 K153 M154 A155 T159 E160 M161 F236 E239 I240L124-W157 HydrophobicContact CD1-CB 4.14Å; L124-W157 HydrophobicContact CD2-CB 3.89Å; L124-W157 HydrophobicContact CD2-CE3 3.81Å; K153-W157 HydrophobicContact CG-CZ2 4.42Å; K153-W157 PolarHBondContact O-N 2.96Å; M154-W157 HydrophobicContact CE-CE3 4.09Å; M154-W157 HydrophobicContact CE-CH2 4.19Å; M154-W157 HydrophobicContact CE-CZ3 3.61Å; M154-W157 WeakPolarHBondContact O-CB 3.43Å; M154-W157 PolarHBondContact O-N 3.18Å; M154-W157 VanDerWaalsContact O-N 3.08Å; M154-W157 HydrophobicContact SD-CD2 4.41Å; M154-W157 HydrophobicContact SD-CE3 3.6Å; M154-W157 HydrophobicContact SD-CZ3 3.78Å; A155-W157 VanDerWaalsContact C-N 3.34Å; W157-T159 PolarHBondContact O-N 2.75Å; W157-E160 WeakPolarHBondContact O-CB 3.48Å; W157-E160 PolarHBondContact O-N 2.95Å; W157-M161 WeakPolarHBondContact O-CG 3.34Å; W157-M161 PolarHBondContact O-N 3.38Å; W157-F236 HydrophobicContact CB-CD1 4.08Å; W157-F236 HydrophobicContact CB-CD2 4.5Å; W157-F236 HydrophobicContact CB-CE1 3.65Å; W157-F236 HydrophobicContact CB-CE2 4.1Å; W157-F236 HydrophobicContact CB-CG 4.49Å; W157-F236 HydrophobicContact CB-CZ 3.66Å; W157-F236 AromaticContact CD1-CD1 3.32Å; W157-F236 AromaticContact CD1-CE1 3.21Å; W157-F236 HydrophobicContact CD2-CB 4.06Å; W157-F236 AromaticContact CD2-CD1 3.47Å; W157-F236 HydrophobicContact CD2-CD1 3.47Å; W157-F236 VanDerWaalsContact CD2-CD1 3.47Å; W157-F236 HydrophobicContact CD2-CD2 4.39Å; W157-F236 AromaticContact CD2-CE1 3.97Å; W157-F236 HydrophobicContact CD2-CE1 3.97Å; W157-F236 AromaticContact CD2-CG 3.72Å; W157-F236 HydrophobicContact CD2-CG 3.72Å; W157-F236 AromaticContact CE2-CD1 3.49Å; W157-F236 VanDerWaalsContact CE2-CD1 3.49Å; W157-F236 AromaticContact CE2-CG 3.97Å; W157-F236 HydrophobicContact CE3-CB 4.04Å; W157-F236 HydrophobicContact CE3-CD1 4.25Å; W157-F236 HydrophobicContact CE3-CG 4.02Å; W157-F236 AromaticContact CG-CD1 3.36Å; W157-F236 HydrophobicContact CG-CD1 3.36Å; W157-F236 HydrophobicContact CG-CD2 4.42Å; W157-F236 AromaticContact CG-CE1 3.31Å; W157-F236 HydrophobicContact CG-CE1 3.31Å; W157-F236 HydrophobicContact CG-CE2 4.38Å; W157-F236 AromaticContact CG-CG 3.95Å; W157-F236 HydrophobicContact CG-CG 3.95Å; W157-F236 AromaticContact CG-CZ 3.87Å; W157-F236 HydrophobicContact CG-CZ 3.87Å; W157-F236 HydrophobicContact CH2-CB 4.06Å; W157-F236 HydrophobicContact CZ2-CB 4.07Å; W157-F236 HydrophobicContact CZ2-CD1 4.25Å; W157-F236 HydrophobicContact CZ2-CG 4.47Å; W157-F236 HydrophobicContact CZ3-CB 4.04Å; W157-F236 AromaticContact NE1-CD1 3.38Å; W157-F236 AromaticContact NE1-CE1 3.78Å; W157-E239 HydrophobicContact CH2-CB 4.26Å; W157-E239 HydrophobicContact CH2-CG 4.34Å; W157-E239 HydrophobicContact CZ2-CB 3.69Å; W157-E239 HydrophobicContact CZ2-CG 3.75Å; W157-I240 HydrophobicContact CH2-CG1 4.12Å
158Y98.9Very high98.8Very high28 Ų2833.2 Ų33.211%0.1116%0.156CC..Hα-helixtrans-53-55.2174.6169.2-100.9000111.4I121 L124 A125 M154 A155 E160 M161 Q162 A428 L430I121-Y158 HydrophobicContact CG2-CD2 3.74Å; I121-Y158 HydrophobicContact CG2-CE2 3.38Å; I121-Y158 WeakPolarHBondContact O-CD2 3.35Å; L124-Y158 HydrophobicContact CB-CD2 4.45Å; A125-Y158 HydrophobicContact CB-CD2 3.76Å; A125-Y158 HydrophobicContact CB-CE2 3.64Å; M154-Y158 WeakPolarHBondContact O-CB 3.47Å; M154-Y158 PolarHBondContact O-N 3.35Å; A155-Y158 PolarHBondContact O-N 3.14Å; Y158-E160 VanDerWaalsContact C-N 3.27Å; Y158-E160 PolarHBondContact O-N 3.32Å; Y158-M161 PolarHBondContact O-N 3.31Å; Y158-M161 VanDerWaalsContact O-N 3.09Å; Y158-Q162 HydrophobicContact CE1-CG 4.14Å; Y158-Q162 VanDerWaalsContact CE1-OE1 3.28Å; Y158-Q162 HydrophobicContact CE2-CG 4.35Å; Y158-Q162 VanDerWaalsContact CZ-CD 3.49Å; Y158-Q162 VanDerWaalsContact CZ-NE2 3.25Å; Y158-Q162 WeakPolarHBondContact O-CG 3.18Å; Y158-Q162 PolarHBondContact O-N 3.45Å; Y158-Q162 PolarHBondContact OH-NE2 2.84Å; Y158-A428 WeakPolarHBondContact CE1-O 3.4Å; Y158-L430 HydrophobicContact CD1-CD1 3.79Å; Y158-L430 HydrophobicContact CD1-CD2 4.01Å; Y158-L430 HydrophobicContact CD1-CG 3.94Å; Y158-L430 HydrophobicContact CD2-CD2 4.42Å; Y158-L430 HydrophobicContact CE1-CD1 4.22Å; Y158-L430 HydrophobicContact CE1-CD2 3.76Å; Y158-L430 HydrophobicContact CE1-CG 3.83Å; Y158-L430 HydrophobicContact CE2-CD2 4.18Å; Y158-L430 HydrophobicContact CG-CD1 4.27Å; Y158-L430 HydrophobicContact CG-CD2 4.33Å
159T98.8Very high98.8Very high30 Ų3035.2 Ų35.218%0.18416%0.161CC..Hα-helixtrans-66-29.3-179.557.50000112.8A155 L156 W157 R163 A428A155-T159 WeakPolarHBondContact O-CG2 3.45Å; A155-T159 PolarHBondContact O-N 2.95Å; A155-T159 PolarHBondContact O-OG1 3.46Å; A155-T159 VanDerWaalsContact O-OG1 3.09Å; L156-T159 PolarHBondContact O-OG1 2.99Å; W157-T159 PolarHBondContact O-N 2.75Å; T159-R163 WeakPolarHBondContact O-CG 3.34Å; T159-R163 PolarHBondContact O-N 2.98Å; T159-R163 PolarHBondContact O-NH1 2.9Å; T159-A428 HydrophobicContact CG2-CB 3.84Å
160E98.9Very high98.8Very high28 Ų2840.2 Ų40.213%0.13119%0.185CC..Hα-helixtrans-66.7-42.7170.8-176.7157.7126.800112.8L156 W157 Y158 Q162 R163 N164 S232 K235 F236L156-E160 WeakPolarHBondContact O-CB 3.48Å; L156-E160 PolarHBondContact O-N 3.43Å; L156-E160 VanDerWaalsContact O-N 3.15Å; W157-E160 WeakPolarHBondContact O-CB 3.48Å; W157-E160 PolarHBondContact O-N 2.95Å; Y158-E160 VanDerWaalsContact C-N 3.27Å; Y158-E160 PolarHBondContact O-N 3.32Å; E160-Q162 VanDerWaalsContact C-N 3.33Å; E160-R163 VanDerWaalsContact CA-NH2 3.32Å; E160-R163 WeakPolarHBondContact O-CB 3.33Å; E160-R163 PolarHBondContact O-N 3.42Å; E160-R163 IonicContact OE2-NH2 3.55Å; E160-N164 PolarHBondContact O-N 2.87Å; E160-S232 VanDerWaalsContact OE1-CB 3.27Å; E160-S232 WeakPolarHBondContact OE1-CB 3.33Å; E160-S232 PolarHBondContact OE1-OG 3.18Å; E160-K235 WeakPolarHBondContact OE1-CE 3.43Å; E160-K235 IonicContact OE1-NZ 2.75Å; E160-K235 PolarHBondContact OE1-NZ 2.83Å; E160-K235 IonicContact OE2-NZ 3.19Å; E160-K235 PolarHBondContact OE2-NZ 3.26Å; E160-F236 HydrophobicContact CB-CZ 4.27Å; E160-F236 HydrophobicContact CG-CZ 4.34Å
161M98.9Very high98.8Very high0 Ų040.1 Ų40.10%018%0.184CC..Hα-helixtrans-69.7-31.5177.4-68.1-52.8-53.800112.2L117 F120 I121 L124 W157 Y158 N164 L165 I229 F236L117-M161 HydrophobicContact CD2-CE 3.32Å; F120-M161 HydrophobicContact CD1-CE 3.99Å; F120-M161 HydrophobicContact CD1-CG 3.95Å; F120-M161 HydrophobicContact CD1-SD 4.27Å; F120-M161 HydrophobicContact CE1-CE 4.4Å; F120-M161 HydrophobicContact CE1-CG 3.81Å; F120-M161 HydrophobicContact CE1-SD 4.1Å; I121-M161 HydrophobicContact CD1-CB 4.2Å; I121-M161 HydrophobicContact CG1-CB 3.55Å; L124-M161 HydrophobicContact CD1-CB 4.16Å; L124-M161 HydrophobicContact CD1-CG 3.69Å; W157-M161 WeakPolarHBondContact O-CG 3.34Å; W157-M161 PolarHBondContact O-N 3.38Å; Y158-M161 PolarHBondContact O-N 3.31Å; Y158-M161 VanDerWaalsContact O-N 3.09Å; M161-N164 HydrophobicContact CE-CB 4.19Å; M161-N164 CarbonylContact O-C 3.52Å; M161-N164 WeakPolarHBondContact O-CB 3.46Å; M161-N164 PolarHBondContact O-N 2.99Å; M161-N164 HydrophobicContact SD-CB 4.45Å; M161-L165 PolarHBondContact O-N 2.77Å; M161-I229 HydrophobicContact CE-CG2 4.2Å; M161-F236 HydrophobicContact CG-CE2 3.82Å; M161-F236 HydrophobicContact CG-CZ 4.23Å; M161-F236 HydrophobicContact SD-CE2 3.8Å; M161-F236 HydrophobicContact SD-CZ 4.31Å
162Q98.8Very high98.8Very high65 Ų6541 Ų4130%0.30419%0.188SC..Hα-helixtrans-59.9-44.9168.6-70.7-179-52.500112.2I121 Y158 E160 N164 L165 Q166I121-Q162 HydrophobicContact CG2-CG 4.39Å; Y158-Q162 HydrophobicContact CE1-CG 4.14Å; Y158-Q162 VanDerWaalsContact CE1-OE1 3.28Å; Y158-Q162 HydrophobicContact CE2-CG 4.35Å; Y158-Q162 VanDerWaalsContact CZ-CD 3.49Å; Y158-Q162 VanDerWaalsContact CZ-NE2 3.25Å; Y158-Q162 WeakPolarHBondContact O-CG 3.18Å; Y158-Q162 PolarHBondContact O-N 3.45Å; Y158-Q162 PolarHBondContact OH-NE2 2.84Å; E160-Q162 VanDerWaalsContact C-N 3.33Å; Q162-N164 VanDerWaalsContact C-N 3.29Å; Q162-N164 PolarHBondContact O-N 2.77Å; Q162-L165 PolarHBondContact O-N 3.15Å; Q162-Q166 WeakPolarHBondContact O-CG 3.48Å; Q162-Q166 PolarHBondContact O-N 2.94Å
163R98.9Very high98.7Very high95 Ų9547 Ų4736%0.35821%0.214SC..Hα-helixtrans-62.5-38.3174.3-68.4-173.6-60-84.15.7111.6T159 E160 Q166 R167T159-R163 WeakPolarHBondContact O-CG 3.34Å; T159-R163 PolarHBondContact O-N 2.98Å; T159-R163 PolarHBondContact O-NH1 2.9Å; E160-R163 VanDerWaalsContact CA-NH2 3.32Å; E160-R163 WeakPolarHBondContact O-CB 3.33Å; E160-R163 PolarHBondContact O-N 3.42Å; E160-R163 IonicContact OE2-NH2 3.55Å; R163-Q166 PolarHBondContact O-N 2.97Å; R163-R167 WeakPolarHBondContact O-CG 3.26Å; R163-R167 PolarHBondContact O-N 3.04Å
164N98.9Very high98.7Very high1 Ų149.1 Ų49.11%0.00522%0.224CC..Hα-helixtrans-67.2-39176.2-78.3-17000112.6E160 M161 Q162 Q166 R167 F168 I229 S232E160-N164 PolarHBondContact O-N 2.87Å; M161-N164 HydrophobicContact CE-CB 4.19Å; M161-N164 CarbonylContact O-C 3.52Å; M161-N164 WeakPolarHBondContact O-CB 3.46Å; M161-N164 PolarHBondContact O-N 2.99Å; M161-N164 HydrophobicContact SD-CB 4.45Å; Q162-N164 VanDerWaalsContact C-N 3.29Å; Q162-N164 PolarHBondContact O-N 2.77Å; N164-Q166 VanDerWaalsContact C-N 3.33Å; N164-Q166 PolarHBondContact O-N 3.1Å; N164-R167 PolarHBondContact O-N 3.46Å; N164-R167 PolarHBondContact OD1-NH1 2.89Å; N164-F168 VanDerWaalsContact O-CB 3.31Å; N164-F168 WeakPolarHBondContact O-CB 3.28Å; N164-F168 PolarHBondContact O-N 3.18Å; N164-I229 HydrophobicContact CB-CG1 4.02Å; N164-S232 WeakPolarHBondContact ND2-CB 3.43Å; N164-S232 PolarHBondContact ND2-OG 3.35Å
165L98.9Very high98.7Very high24 Ų2449.1 Ų49.113%0.12622%0.224CC..Hα-helixtrans-62.6-40.3173.4-179.262.1000111.3E114 L117 E118 I121 M161 Q162 F168 K169E114-L165 HydrophobicContact CG-CD1 4.06Å; L117-L165 HydrophobicContact CB-CD1 4.12Å; L117-L165 HydrophobicContact CD1-CD1 4.21Å; E118-L165 HydrophobicContact CG-CD1 4.37Å; E118-L165 HydrophobicContact CG-CD2 4.02Å; I121-L165 HydrophobicContact CD1-CB 3.84Å; I121-L165 HydrophobicContact CD1-CD2 3.78Å; I121-L165 HydrophobicContact CD1-CG 4.38Å; M161-L165 PolarHBondContact O-N 2.77Å; Q162-L165 PolarHBondContact O-N 3.15Å; L165-F168 PolarHBondContact O-N 2.97Å; L165-K169 HydrophobicContact CG-CD 4.36Å; L165-K169 WeakPolarHBondContact O-CG 3.46Å; L165-K169 PolarHBondContact O-N 3.42Å
166Q98.8Very high98.7Very high128 Ų12850.1 Ų50.160%0.59823%0.228SC*.Hα-helixtrans-62.4-46.6174.1-71.9176.7-8.200112.2Q162 R163 N164 F168 K169 Q170Q162-Q166 WeakPolarHBondContact O-CG 3.48Å; Q162-Q166 PolarHBondContact O-N 2.94Å; R163-Q166 PolarHBondContact O-N 2.97Å; N164-Q166 VanDerWaalsContact C-N 3.33Å; N164-Q166 PolarHBondContact O-N 3.1Å; Q166-F168 VanDerWaalsContact C-N 3.3Å; Q166-F168 PolarHBondContact O-N 3.4Å; Q166-K169 PolarHBondContact O-N 3.36Å; Q166-Q170 WeakPolarHBondContact O-CG 3.5Å; Q166-Q170 PolarHBondContact O-N 3.21Å
167R98.9Very high98.7Very high84 Ų8446 Ų4632%0.31721%0.207SC..Hα-helixtrans-60.8-41.1175.1-68.6166-176.6144.7-3.6111.8R163 N164 Q170 V171 T225R163-R167 WeakPolarHBondContact O-CG 3.26Å; R163-R167 PolarHBondContact O-N 3.04Å; N164-R167 PolarHBondContact O-N 3.46Å; N164-R167 PolarHBondContact OD1-NH1 2.89Å; R167-Q170 PolarHBondContact O-N 3.4Å; R167-V171 PolarHBondContact O-N 2.69Å; R167-T225 HydrophobicContact CB-CG2 4.02Å
168F98.9Very high98.7Very high0 Ų045.6 Ų45.60%021%0.206CC..Hα-helixtrans-60.5-50.4176.6-174.3-105.1000110.8N110 I113 E114 L117 N164 L165 Q166 Q170 V171 R172 Y222 L226 I229N110-F168 HydrophobicContact CB-CE1 4.33Å; N110-F168 HydrophobicContact CB-CZ 3.76Å; I113-F168 HydrophobicContact CB-CE1 4.4Å; I113-F168 HydrophobicContact CB-CE2 4.17Å; I113-F168 HydrophobicContact CB-CZ 3.71Å; I113-F168 HydrophobicContact CG2-CD2 4.22Å; I113-F168 HydrophobicContact CG2-CE1 4.13Å; I113-F168 HydrophobicContact CG2-CE2 3.55Å; I113-F168 HydrophobicContact CG2-CZ 3.5Å; I113-F168 VanDerWaalsContact CG2-CZ 3.5Å; E114-F168 HydrophobicContact CB-CD1 4.4Å; E114-F168 HydrophobicContact CB-CE1 3.85Å; E114-F168 HydrophobicContact CG-CE1 4.41Å; L117-F168 HydrophobicContact CD1-CB 3.92Å; L117-F168 HydrophobicContact CD1-CD1 3.78Å; L117-F168 HydrophobicContact CD1-CD2 4.23Å; L117-F168 HydrophobicContact CD1-CE1 4.37Å; L117-F168 HydrophobicContact CD1-CG 3.7Å; N164-F168 VanDerWaalsContact O-CB 3.31Å; N164-F168 WeakPolarHBondContact O-CB 3.28Å; N164-F168 PolarHBondContact O-N 3.18Å; L165-F168 PolarHBondContact O-N 2.97Å; Q166-F168 VanDerWaalsContact C-N 3.3Å; Q166-F168 PolarHBondContact O-N 3.4Å; F168-Q170 VanDerWaalsContact C-N 3.32Å; F168-Q170 PolarHBondContact O-N 3.35Å; F168-V171 VanDerWaalsContact O-CG1 3.25Å; F168-V171 WeakPolarHBondContact O-CG1 3.16Å; F168-V171 PolarHBondContact O-N 2.95Å; F168-R172 HydrophobicContact CD1-CG 4.24Å; F168-R172 HydrophobicContact CE1-CG 3.96Å; F168-R172 HydrophobicContact CZ-CG 4.17Å; F168-R172 VanDerWaalsContact O-CG 3.3Å; F168-R172 WeakPolarHBondContact O-CG 3.34Å; F168-R172 PolarHBondContact O-N 3.46Å; F168-Y222 HydrophobicContact CE2-CE2 4.48Å; F168-L226 HydrophobicContact CD2-CD2 3.85Å; F168-L226 HydrophobicContact CE2-CD2 3.66Å; F168-I229 HydrophobicContact CB-CD1 4.31Å; F168-I229 HydrophobicContact CD2-CD1 4.06Å
169K98.7Very high98.6Very high83 Ų8344.3 Ų44.336%0.36120%0.201SC..Hα-helixtrans-57.3-42.4176-74.2178.3171.9-176.40112.7E114 E118 L165 Q166 R172 E173E114-K169 WeakPolarHBondContact OE1-CE 3.22Å; E114-K169 IonicContact OE1-NZ 2.79Å; E114-K169 PolarHBondContact OE1-NZ 3.27Å; E118-K169 IonicContact OE1-NZ 2.87Å; L165-K169 HydrophobicContact CG-CD 4.36Å; L165-K169 WeakPolarHBondContact O-CG 3.46Å; L165-K169 PolarHBondContact O-N 3.42Å; Q166-K169 PolarHBondContact O-N 3.36Å; K169-R172 WeakPolarHBondContact O-CB 3.48Å; K169-R172 PolarHBondContact O-N 3.43Å; K169-E173 PolarHBondContact O-N 2.75Å
170Q98.6Very high98.6Very high105 Ų10542.9 Ų42.949%0.49119%0.192SC..Hα-helixtrans-63.5-45175.9-72.9173.6-17.400112.5Q166 R167 F168 R172 E173 E174Q166-Q170 WeakPolarHBondContact O-CG 3.5Å; Q166-Q170 PolarHBondContact O-N 3.21Å; R167-Q170 PolarHBondContact O-N 3.4Å; F168-Q170 VanDerWaalsContact C-N 3.32Å; F168-Q170 PolarHBondContact O-N 3.35Å; Q170-R172 VanDerWaalsContact C-N 3.29Å; Q170-R172 PolarHBondContact O-N 3.5Å; Q170-E173 PolarHBondContact O-N 3.46Å; Q170-E174 PolarHBondContact O-N 3.19Å
171V98.6Very high98.6Very high0 Ų041.5 Ų41.50%019%0.186CC..Hα-helixtrans-72.5-25.4-17976.30000112.8R167 F168 E173 E174 I175 Y221 Y222 T225R167-V171 PolarHBondContact O-N 2.69Å; F168-V171 VanDerWaalsContact O-CG1 3.25Å; F168-V171 WeakPolarHBondContact O-CG1 3.16Å; F168-V171 PolarHBondContact O-N 2.95Å; V171-E173 VanDerWaalsContact C-N 3.34Å; V171-E174 PolarHBondContact O-N 2.93Å; V171-I175 WeakPolarHBondContact O-CG2 3.49Å; V171-I175 PolarHBondContact O-N 3.04Å; V171-Y221 HydrophobicContact CB-CD1 4.12Å; V171-Y221 HydrophobicContact CB-CE1 3.9Å; V171-Y221 HydrophobicContact CG2-CD1 3.48Å; V171-Y221 VanDerWaalsContact CG2-CD1 3.48Å; V171-Y221 HydrophobicContact CG2-CD2 4.36Å; V171-Y221 HydrophobicContact CG2-CE1 3.8Å; V171-Y221 HydrophobicContact CG2-CG 3.77Å; V171-Y222 HydrophobicContact CG1-CD2 4.1Å; V171-Y222 HydrophobicContact CG2-CD2 4.32Å; V171-T225 HydrophobicContact CB-CG2 4.45Å; V171-T225 HydrophobicContact CG1-CG2 3.73Å
172R98.4Very high98.5Very high18 Ų1841.6 Ų41.67%0.06819%0.187CC..Hα-helixtrans-57.4-47.2169.8-73-174.467.7136.115.4111.1N110 D111 E114 F168 K169 Q170 E174 I175 E176N110-R172 HydrophobicContact CB-CG 4.1Å; N110-R172 PolarHBondContact O-NH1 3.4Å; N110-R172 VanDerWaalsContact O-NH1 3.12Å; D111-R172 IonicContact OD1-CZ 2.81Å; D111-R172 IonicContact OD1-NH1 3.99Å; D111-R172 PolarHBondContact OD1-NH1 2.94Å; D111-R172 VanDerWaalsContact OD1-NH1 3.11Å; D111-R172 IonicContact OD1-NH2 3.71Å; D111-R172 PolarHBondContact OD1-NH2 3.36Å; E114-R172 IonicContact OE2-CZ 2.85Å; E114-R172 IonicContact OE2-NE 3.99Å; E114-R172 IonicContact OE2-NH1 2.75Å; E114-R172 PolarHBondContact OE2-NH1 3.02Å; F168-R172 HydrophobicContact CD1-CG 4.24Å; F168-R172 HydrophobicContact CE1-CG 3.96Å; F168-R172 HydrophobicContact CZ-CG 4.17Å; F168-R172 VanDerWaalsContact O-CG 3.3Å; F168-R172 WeakPolarHBondContact O-CG 3.34Å; F168-R172 PolarHBondContact O-N 3.46Å; K169-R172 WeakPolarHBondContact O-CB 3.48Å; K169-R172 PolarHBondContact O-N 3.43Å; Q170-R172 VanDerWaalsContact C-N 3.29Å; Q170-R172 PolarHBondContact O-N 3.5Å; R172-E174 PolarHBondContact O-N 2.97Å; R172-I175 PolarHBondContact O-N 3.11Å; R172-E176 WeakPolarHBondContact CB-OE1 3.47Å; R172-E176 WeakPolarHBondContact CG-OE1 3.41Å; R172-E176 IonicContact CZ-OE1 2.73Å; R172-E176 IonicContact CZ-OE2 2.89Å; R172-E176 IonicContact NE-OE1 3.24Å; R172-E176 PolarHBondContact NE-OE1 2.79Å; R172-E176 IonicContact NE-OE2 2.68Å; R172-E176 IonicContact NH2-OE1 3.64Å; R172-E176 PolarHBondContact NH2-OE1 3.47Å; R172-E176 IonicContact NH2-OE2 3.22Å; R172-E176 PolarHBondContact NH2-OE2 3.14Å; R172-E176 WeakPolarHBondContact O-CB 3.45Å; R172-E176 VanDerWaalsContact O-CG 3.22Å; R172-E176 WeakPolarHBondContact O-CG 3.21Å; R172-E176 PolarHBondContact O-N 3.22Å
173E97.5Very high98.5Very high153 Ų15340.6 Ų40.672%0.71519%0.189SC*.Hα-helixtrans-59.3-32.8177.5-64.7173.5-174.200112.4K169 Q170 V171K169-E173 PolarHBondContact O-N 2.75Å; Q170-E173 PolarHBondContact O-N 3.46Å; V171-E173 VanDerWaalsContact C-N 3.34Å
174E97.9Very high98.4Very high83 Ų8339.3 Ų39.339%0.38819%0.192SC..Hα-helixtrans-79.4-36.3179.2-71.3-67.4174.200114Q170 V171 R172 R218 Y221Q170-E174 PolarHBondContact O-N 3.19Å; V171-E174 PolarHBondContact O-N 2.93Å; R172-E174 PolarHBondContact O-N 2.97Å; E174-R218 VanDerWaalsContact O-CD 3.26Å; E174-R218 WeakPolarHBondContact O-CD 3.26Å; E174-R218 WeakPolarHBondContact O-CG 3.15Å; E174-R218 PolarHBondContact O-NH1 3.23Å; E174-R218 IonicContact OE2-CZ 3.7Å; E174-R218 IonicContact OE2-NH1 3.51Å; E174-R218 PolarHBondContact OE2-NH1 3.08Å; E174-Y221 HydrophobicContact CB-CD1 4.34Å; E174-Y221 HydrophobicContact CG-CD1 4.17Å; E174-Y221 HydrophobicContact CG-CE1 4.18Å
175I98.5Very high98.4Very high1 Ų140 Ų401%0.00520%0.199CC..Hα-helixtrans-92.6-26.7-176.1-163.661.3000113S103 I106 V171 R172 V177 R218 H219 Y222S103-I175 PolarHBondContact OG-O 3.45Å; I106-I175 HydrophobicContact CD1-CD1 4.47Å; I106-I175 HydrophobicContact CD1-CG1 4.01Å; I106-I175 HydrophobicContact CG2-CG1 4.08Å; I106-I175 HydrophobicContact CG2-CG2 3.88Å; V171-I175 WeakPolarHBondContact O-CG2 3.49Å; V171-I175 PolarHBondContact O-N 3.04Å; R172-I175 PolarHBondContact O-N 3.11Å; I175-V177 PolarHBondContact O-N 2.62Å; I175-R218 HydrophobicContact CD1-CB 3.85Å; I175-H219 HydrophobicContact CD1-CB 4.31Å; I175-Y222 HydrophobicContact CB-CD2 4.47Å; I175-Y222 HydrophobicContact CG1-CG 4.28Å; I175-Y222 HydrophobicContact CG2-CD2 3.91Å; I175-Y222 HydrophobicContact CG2-CE2 4.31Å; I175-Y222 HydrophobicContact CG2-CG 4.4Å
176E98.7Very high98.4Very high23 Ų2343 Ų4311%0.10722%0.219CC..SBendtrans-83.559.6-179.2-62.9177.2-162.300110.7K107 N110 R172 I204 G205K107-E176 HydrophobicContact CB-CG 3.98Å; N110-E176 WeakPolarHBondContact CB-OE1 3.39Å; N110-E176 PolarHBondContact ND2-OE1 3.46Å; R172-E176 WeakPolarHBondContact CB-OE1 3.47Å; R172-E176 WeakPolarHBondContact CG-OE1 3.41Å; R172-E176 IonicContact CZ-OE1 2.73Å; R172-E176 IonicContact CZ-OE2 2.89Å; R172-E176 IonicContact NE-OE1 3.24Å; R172-E176 PolarHBondContact NE-OE1 2.79Å; R172-E176 IonicContact NE-OE2 2.68Å; R172-E176 IonicContact NH2-OE1 3.64Å; R172-E176 PolarHBondContact NH2-OE1 3.47Å; R172-E176 IonicContact NH2-OE2 3.22Å; R172-E176 PolarHBondContact NH2-OE2 3.14Å; R172-E176 WeakPolarHBondContact O-CB 3.45Å; R172-E176 VanDerWaalsContact O-CG 3.22Å; R172-E176 WeakPolarHBondContact O-CG 3.21Å; R172-E176 PolarHBondContact O-N 3.22Å; E176-I204 HydrophobicContact CB-CG2 4.19Å; E176-I204 WeakPolarHBondContact O-CB 3.35Å; E176-G205 PolarHBondContact O-N 3.41Å
177V98.8Very high98.3Very high9 Ų940 Ų406%0.05520%0.204CC..EExtended strand (participates in β ladder)trans-129.7142.8176.5-62.80000110.9S103 I175 G205 L214S103-V177 WeakPolarHBondContact CB-O 3.22Å; S103-V177 PolarHBondContact OG-O 2.88Å; I175-V177 PolarHBondContact O-N 2.62Å; V177-G205 CarbonylContact C-O 3.3Å; V177-G205 VanDerWaalsContact CA-O 3.28Å; V177-G205 WeakPolarHBondContact CA-O 3.5Å; V177-L214 HydrophobicContact CG2-CD1 4.33Å; V177-L214 HydrophobicContact CG2-CD2 4.09Å; V177-L214 WeakPolarHBondContact O-CD1 3.36Å
178G98.7Very high98.3Very high0 Ų039.5 Ų39.50%022%0.218CC..EExtended strand (participates in β ladder)trans-104.2171.7174.400000112.9G205 A207G178-G205 PolarHBondContact N-O 2.82Å; G178-A207 WeakPolarHBondContact O-CB 3.33Å; G178-A207 PolarHBondContact O-N 3.06Å
179K98.6Very high98.2Very high0 Ų044.5 Ų44.50%025%0.245CC..  trans-142.1137.3168.562.492.467.1-170.80111.4D96 D99 T100 S181 G182 E195 A207 T211 Q212 L214D96-K179 VanDerWaalsContact CA-O 3.31Å; D96-K179 WeakPolarHBondContact CA-O 3.47Å; D96-K179 VanDerWaalsContact OD1-CD 3.28Å; D96-K179 WeakPolarHBondContact OD1-CD 3.4Å; D96-K179 WeakPolarHBondContact OD1-CE 3.45Å; D96-K179 IonicContact OD1-NZ 3.76Å; D96-K179 PolarHBondContact OD1-NZ 3.21Å; D99-K179 HydrophobicContact CB-CG 4.43Å; T100-K179 PolarHBondContact OG1-N 3.49Å; T100-K179 PolarHBondContact OG1-O 3.41Å; K179-S181 WeakPolarHBondContact CE-OG 3.48Å; K179-S181 PolarHBondContact NZ-OG 3.29Å; K179-S181 VanDerWaalsContact NZ-OG 3.16Å; K179-G182 PolarHBondContact NZ-O 3.42Å; K179-E195 VanDerWaalsContact CA-OE1 3.25Å; K179-E195 WeakPolarHBondContact CA-OE1 3.35Å; K179-A207 HydrophobicContact CB-CB 4.44Å; K179-T211 WeakPolarHBondContact CE-O 3.15Å; K179-T211 PolarHBondContact NZ-O 3.1Å; K179-Q212 VanDerWaalsContact CE-O 3.31Å; K179-Q212 WeakPolarHBondContact CE-O 3.25Å; K179-Q212 VanDerWaalsContact NZ-C 3.27Å; K179-Q212 PolarHBondContact NZ-O 3.26Å; K179-L214 HydrophobicContact CB-CD2 3.85Å; K179-L214 HydrophobicContact CG-CD2 3.78Å; K179-L214 HydrophobicContact CG-CG 3.91Å
180M98.1Very high98.2Very high0 Ų040.7 Ų40.70%023%0.228CC..  trans-139.457.8174.5-59.6-74.3155.800109.7V26 L92 D96 T100 F187 I190 E195 V198V26-M180 HydrophobicContact CG1-CE 3.29Å; V26-M180 HydrophobicContact CG1-SD 4.25Å; L92-M180 HydrophobicContact CD2-SD 3.97Å; D96-M180 HydrophobicContact CB-SD 3.68Å; D96-M180 WeakPolarHBondContact O-CE 3.41Å; T100-M180 HydrophobicContact CG2-CE 3.48Å; T100-M180 VanDerWaalsContact CG2-CE 3.48Å; T100-M180 WeakPolarHBondContact OG1-CE 3.47Å; M180-F187 WeakPolarHBondContact O-CE1 3.49Å; M180-I190 HydrophobicContact CB-CD1 3.93Å; M180-I190 WeakPolarHBondContact O-CG2 3.34Å; M180-E195 HydrophobicContact CB-CB 3.74Å; M180-E195 HydrophobicContact CB-CG 4.02Å; M180-E195 HydrophobicContact CG-CB 4.31Å; M180-E195 HydrophobicContact CG-CG 4.34Å; M180-E195 PolarHBondContact N-OE1 3.09Å; M180-V198 HydrophobicContact CE-CB 4.5Å; M180-V198 HydrophobicContact CE-CG1 3.94Å; M180-V198 HydrophobicContact CG-CB 4.46Å
181S98.3Very high98.1Very high0 Ų037.3 Ų37.30%022%0.216CC..  trans-113.94.3-166.758.30000113.1D96 K179 G185 T186 F187 S210D96-S181 PolarHBondContact OD1-N 3.28Å; D96-S181 VanDerWaalsContact OD1-N 3.08Å; K179-S181 WeakPolarHBondContact CE-OG 3.48Å; K179-S181 PolarHBondContact NZ-OG 3.29Å; K179-S181 VanDerWaalsContact NZ-OG 3.16Å; S181-G185 CarbonylContact O-C 3.54Å; S181-G185 WeakPolarHBondContact OG-CA 3.34Å; S181-T186 PolarHBondContact O-N 2.91Å; S181-F187 PolarHBondContact O-N 3.47Å; S181-S210 WeakPolarHBondContact CB-OG 3.43Å; S181-S210 PolarHBondContact OG-OG 2.86Å
182G97.4Very high98.1Very high2 Ų240.2 Ų40.22%0.02123%0.234CC..THydrogen-bonded Turntrans79-161.8174.500000113.6T93 D96 K179 V184T93-G182 VanDerWaalsContact CG2-C 3.46Å; T93-G182 WeakPolarHBondContact CG2-O 3.49Å; D96-G182 PolarHBondContact OD1-N 3.47Å; D96-G182 VanDerWaalsContact OD2-CA 3.26Å; D96-G182 WeakPolarHBondContact OD2-CA 3.43Å; D96-G182 PolarHBondContact OD2-N 3.22Å; D96-G182 VanDerWaalsContact OD2-N 3.07Å; K179-G182 PolarHBondContact NZ-O 3.42Å; G182-V184 VanDerWaalsContact C-N 3.29Å; G182-V184 PolarHBondContact O-N 3.08Å; G182-V184 VanDerWaalsContact O-N 3.11Å
183A97.5Very high98.1Very high44 Ų4444.6 Ų44.636%0.36426%0.256SS..THydrogen-bonded Turntrans-56.3-34.1-164.400000115.5Q212A183-Q212 WeakPolarHBondContact O-CB 3.48Å; A183-Q212 WeakPolarHBondContact O-CG 3.25Å; A183-Q212 PolarHBondContact O-NE2 2.8Å
184V98.3Very high98.1Very high67 Ų6737.3 Ų37.341%0.40622%0.221SC..THydrogen-bonded Turntrans-138.419.4-177-68.60000112.7G182 T186 E300G182-V184 VanDerWaalsContact C-N 3.29Å; G182-V184 PolarHBondContact O-N 3.08Å; G182-V184 VanDerWaalsContact O-N 3.11Å; V184-T186 HydrophobicContact CG2-CG2 3.88Å; V184-E300 HydrophobicContact CB-CB 4.49Å; V184-E300 HydrophobicContact CB-CG 4.11Å; V184-E300 HydrophobicContact CG1-CB 4.27Å; V184-E300 HydrophobicContact CG1-CG 4.2Å
185G98.2Very high98.1Very high16 Ų1633.8 Ų33.817%0.16521%0.205CC..THydrogen-bonded Turntrans81.818.2174.900000116.3S181 S210 T211S181-G185 CarbonylContact O-C 3.54Å; S181-G185 WeakPolarHBondContact OG-CA 3.34Å; G185-S210 WeakPolarHBondContact CA-O 3.43Å; G185-T211 WeakPolarHBondContact CA-O 3.46Å; G185-T211 PolarHBondContact N-O 2.71Å
186T98.3Very high98.1Very high88 Ų8836.8 Ų36.854%0.5423%0.226SC..SBendtrans-106-2.3-169.954.50000114.8S181 V184 A188S181-T186 PolarHBondContact O-N 2.91Å; V184-T186 HydrophobicContact CG2-CG2 3.88Å; T186-A188 PolarHBondContact O-N 2.7Å; T186-A188 VanDerWaalsContact O-N 3.1Å
187F98.2Very high98.1Very high63 Ų6338.4 Ų38.428%0.27623%0.232SC..  trans59.317.4-174.6-60.3-77.1000114.1M180 S181 N189 I190 P192 E195M180-F187 WeakPolarHBondContact O-CE1 3.49Å; S181-F187 PolarHBondContact O-N 3.47Å; F187-N189 PolarHBondContact O-N 2.93Å; F187-N189 VanDerWaalsContact O-N 3.16Å; F187-I190 CarbonylContact C-O 3.49Å; F187-I190 VanDerWaalsContact CA-O 3.32Å; F187-I190 WeakPolarHBondContact CA-O 3.41Å; F187-I190 WeakPolarHBondContact CB-O 3.44Å; F187-I190 HydrophobicContact CD1-CG2 4.45Å; F187-I190 WeakPolarHBondContact CD1-O 3.41Å; F187-I190 PolarHBondContact O-N 3.47Å; F187-P192 HydrophobicContact CB-CG 4.26Å; F187-P192 HydrophobicContact CD1-CB 4.22Å; F187-P192 HydrophobicContact CD1-CG 3.9Å; F187-P192 HydrophobicContact CD2-CG 4.17Å; F187-P192 HydrophobicContact CE1-CB 4.13Å; F187-P192 HydrophobicContact CE1-CG 4.26Å; F187-P192 HydrophobicContact CE2-CG 4.5Å; F187-P192 HydrophobicContact CG-CG 3.85Å; F187-P192 HydrophobicContact CZ-CB 4.4Å; F187-E195 HydrophobicContact CE1-CB 4.32Å
188A97.8Very high98.1Very high75 Ų7538 Ų3862%0.6223%0.229SC*.THydrogen-bonded Turntrans-60.7-29.7-175.900000113.7T186T186-A188 PolarHBondContact O-N 2.7Å; T186-A188 VanDerWaalsContact O-N 3.1Å
189N97.4Very high98.1Very high105 Ų10538 Ų3856%0.56123%0.229SC*.THydrogen-bonded Turntrans-118.71.7-176.9-52.7-54.1000113.1G91 F187G91-N189 WeakPolarHBondContact CA-O 3.14Å; F187-N189 PolarHBondContact O-N 2.93Å; F187-N189 VanDerWaalsContact O-N 3.16Å
190I97.4Very high98.1Very high2 Ų246 Ų461%0.0126%0.264CS..SBendtrans-150.1121.7-173.6176.9157.2000110.1L92 M180 F187 I194L92-I190 HydrophobicContact CD2-CD1 3.3Å; M180-I190 HydrophobicContact CB-CD1 3.93Å; M180-I190 WeakPolarHBondContact O-CG2 3.34Å; F187-I190 CarbonylContact C-O 3.49Å; F187-I190 VanDerWaalsContact CA-O 3.32Å; F187-I190 WeakPolarHBondContact CA-O 3.41Å; F187-I190 WeakPolarHBondContact CB-O 3.44Å; F187-I190 HydrophobicContact CD1-CG2 4.45Å; F187-I190 WeakPolarHBondContact CD1-O 3.41Å; F187-I190 PolarHBondContact O-N 3.47Å; I190-I194 HydrophobicContact CD1-CB 3.83Å; I190-I194 HydrophobicContact CD1-CG1 4.28Å; I190-I194 HydrophobicContact CD1-CG2 3.6Å; I190-I194 HydrophobicContact CG1-CB 3.81Å; I190-I194 HydrophobicContact CG1-CG1 3.91Å; I190-I194 HydrophobicContact CG1-CG2 4.16Å
191P97.7Very high98.2Very high35 Ų3550.7 Ų50.723%0.22729%0.286CS..  trans-64.7143.5176.9-22.132.1000112.7W34 L37 E193 I194W34-P191 HydrophobicContact CH2-CG 3.78Å; W34-P191 VanDerWaalsContact CZ2-CD 3.43Å; W34-P191 HydrophobicContact CZ2-CG 4.43Å; W34-P191 HydrophobicContact CZ3-CG 3.86Å; L37-P191 HydrophobicContact CD1-CB 4Å; L37-P191 HydrophobicContact CD1-CG 3.99Å; P191-E193 WeakPolarHBondContact CB-OE2 3.31Å; P191-E193 PolarHBondContact O-N 3.19Å; P191-E193 VanDerWaalsContact O-N 3.12Å; P191-I194 HydrophobicContact CB-CG1 4.4Å; P191-I194 HydrophobicContact CG-CG1 4.47Å; P191-I194 WeakPolarHBondContact O-CB 3.27Å; P191-I194 WeakPolarHBondContact O-CG1 3.45Å; P191-I194 PolarHBondContact O-N 2.94Å
192P98.1Very high98.2Very high61 Ų6151.2 Ų51.240%0.39629%0.288SS..Hα-helixtrans-57.6-23.4176.5-24.533.8000115F187 I194 E195 S196F187-P192 HydrophobicContact CB-CG 4.26Å; F187-P192 HydrophobicContact CD1-CB 4.22Å; F187-P192 HydrophobicContact CD1-CG 3.9Å; F187-P192 HydrophobicContact CD2-CG 4.17Å; F187-P192 HydrophobicContact CE1-CB 4.13Å; F187-P192 HydrophobicContact CE1-CG 4.26Å; F187-P192 HydrophobicContact CE2-CG 4.5Å; F187-P192 HydrophobicContact CG-CG 3.85Å; F187-P192 HydrophobicContact CZ-CB 4.4Å; P192-I194 PolarHBondContact O-N 3.46Å; P192-E195 WeakPolarHBondContact O-CB 3.42Å; P192-E195 PolarHBondContact O-N 3.35Å; P192-S196 PolarHBondContact O-N 3.39Å; P192-S196 VanDerWaalsContact O-N 3.12Å; P192-S196 PolarHBondContact O-OG 2.89Å
193E98.1Very high98.2Very high109 Ų10953.4 Ų53.451%0.50931%0.311SS..Hα-helixtrans-63.3-29.6175.7-63.782.1175.400112.1L37 P191 Y197L37-E193 HydrophobicContact CD1-CB 4.17Å; L37-E193 HydrophobicContact CD2-CB 4.09Å; L37-E193 HydrophobicContact CD2-CG 4.34Å; P191-E193 WeakPolarHBondContact CB-OE2 3.31Å; P191-E193 PolarHBondContact O-N 3.19Å; P191-E193 VanDerWaalsContact O-N 3.12Å; E193-Y197 WeakPolarHBondContact O-CB 3.38Å; E193-Y197 PolarHBondContact O-N 3.4Å
194I98.3Very high98.3Very high0 Ų052 Ų520%030%0.297CS..Hα-helixtrans-64.9-48.4174.9-53.3-61.9000110A30 A33 W34 L37 I190 P191 P192 S196 Y197 V198A30-I194 HydrophobicContact CB-CG2 4.18Å; A33-I194 VanDerWaalsContact C-CD1 3.44Å; A33-I194 HydrophobicContact CB-CB 4.32Å; A33-I194 HydrophobicContact CB-CD1 3.48Å; A33-I194 VanDerWaalsContact CB-CD1 3.48Å; A33-I194 HydrophobicContact CB-CG1 4.47Å; A33-I194 HydrophobicContact CB-CG2 4.04Å; W34-I194 HydrophobicContact CB-CD1 4.12Å; W34-I194 HydrophobicContact CD2-CD1 3.72Å; W34-I194 HydrophobicContact CD2-CG1 4.21Å; W34-I194 HydrophobicContact CE3-CD1 4.26Å; W34-I194 HydrophobicContact CG-CD1 3.6Å; W34-I194 HydrophobicContact CG-CG1 4.4Å; W34-I194 VanDerWaalsContact N-CD1 3.27Å; L37-I194 HydrophobicContact CD1-CD1 3.68Å; L37-I194 HydrophobicContact CD1-CG1 4.26Å; L37-I194 HydrophobicContact CG-CD1 4.44Å; I190-I194 HydrophobicContact CD1-CB 3.83Å; I190-I194 HydrophobicContact CD1-CG1 4.28Å; I190-I194 HydrophobicContact CD1-CG2 3.6Å; I190-I194 HydrophobicContact CG1-CB 3.81Å; I190-I194 HydrophobicContact CG1-CG1 3.91Å; I190-I194 HydrophobicContact CG1-CG2 4.16Å; P191-I194 HydrophobicContact CB-CG1 4.4Å; P191-I194 HydrophobicContact CG-CG1 4.47Å; P191-I194 WeakPolarHBondContact O-CB 3.27Å; P191-I194 WeakPolarHBondContact O-CG1 3.45Å; P191-I194 PolarHBondContact O-N 2.94Å; P192-I194 PolarHBondContact O-N 3.46Å; I194-S196 VanDerWaalsContact C-N 3.33Å; I194-S196 PolarHBondContact O-N 3.12Å; I194-Y197 PolarHBondContact O-N 3Å; I194-V198 HydrophobicContact CG2-CG2 4.35Å; I194-V198 WeakPolarHBondContact O-CG2 3.3Å; I194-V198 PolarHBondContact O-N 2.87Å
195E98.6Very high98.3Very high10 Ų1050.4 Ų50.45%0.04730%0.295CS..Hα-helixtrans-56.5-48.3176.4-171.1179.5-104.500111.8K179 M180 F187 P192 Y197 V198 C199 T206K179-E195 VanDerWaalsContact CA-OE1 3.25Å; K179-E195 WeakPolarHBondContact CA-OE1 3.35Å; M180-E195 HydrophobicContact CB-CB 3.74Å; M180-E195 HydrophobicContact CB-CG 4.02Å; M180-E195 HydrophobicContact CG-CB 4.31Å; M180-E195 HydrophobicContact CG-CG 4.34Å; M180-E195 PolarHBondContact N-OE1 3.09Å; F187-E195 HydrophobicContact CE1-CB 4.32Å; P192-E195 WeakPolarHBondContact O-CB 3.42Å; P192-E195 PolarHBondContact O-N 3.35Å; E195-Y197 VanDerWaalsContact C-N 3.32Å; E195-Y197 PolarHBondContact O-N 3.35Å; E195-V198 PolarHBondContact O-N 3.2Å; E195-C199 WeakPolarHBondContact O-CB 3.47Å; E195-C199 PolarHBondContact O-N 2.78Å; E195-C199 PolarHBondContact O-SG 2.99Å; E195-T206 HydrophobicContact CG-CG2 3.97Å
196S98.2Very high98.3Very high64 Ų6452.4 Ų52.445%0.44830%0.304SS..Hα-helixtrans-61.8-40.6-179.7-61.50000111.8P192 I194 K200P192-S196 PolarHBondContact O-N 3.39Å; P192-S196 VanDerWaalsContact O-N 3.12Å; P192-S196 PolarHBondContact O-OG 2.89Å; I194-S196 VanDerWaalsContact C-N 3.33Å; I194-S196 PolarHBondContact O-N 3.12Å; S196-K200 WeakPolarHBondContact O-CB 3.39Å; S196-K200 PolarHBondContact O-N 3.44Å
197Y98.7Very high98.3Very high56 Ų5648.4 Ų48.422%0.2228%0.279CS..Hα-helixtrans-65.3-52.5177-173.3-81.2000111.1L29 E32 A33 E36 E193 I194 E195 K200 H201L29-Y197 HydrophobicContact CD2-CE1 4.07Å; E32-Y197 HydrophobicContact CB-CE1 3.85Å; A33-Y197 HydrophobicContact CB-CD1 3.58Å; A33-Y197 HydrophobicContact CB-CD2 4.22Å; A33-Y197 HydrophobicContact CB-CE1 4.31Å; A33-Y197 HydrophobicContact CB-CG 3.53Å; E36-Y197 HydrophobicContact CG-CE2 4.02Å; E193-Y197 WeakPolarHBondContact O-CB 3.38Å; E193-Y197 PolarHBondContact O-N 3.4Å; I194-Y197 PolarHBondContact O-N 3Å; E195-Y197 VanDerWaalsContact C-N 3.32Å; E195-Y197 PolarHBondContact O-N 3.35Å; Y197-K200 PolarHBondContact O-N 3.41Å; Y197-H201 AromaticContact CD1-CE1 3.76Å; Y197-H201 AromaticContact CD1-ND1 3.48Å; Y197-H201 WeakPolarHBondContact CD1-ND1 3.27Å; Y197-H201 AromaticContact CD2-CE1 3.64Å; Y197-H201 AromaticContact CE1-CE1 3.45Å; Y197-H201 VanDerWaalsContact CE1-CE1 3.45Å; Y197-H201 WeakPolarHBondContact CE1-CE1 3.42Å; Y197-H201 AromaticContact CE1-ND1 3.46Å; Y197-H201 WeakPolarHBondContact CE1-ND1 3.49Å; Y197-H201 AromaticContact CE2-CE1 3.34Å; Y197-H201 WeakPolarHBondContact CE2-CE1 3.49Å; Y197-H201 AromaticContact CG-CE1 3.85Å; Y197-H201 AromaticContact CG-ND1 3.8Å; Y197-H201 AromaticContact CZ-CE1 3.23Å; Y197-H201 AromaticContact CZ-ND1 3.77Å; Y197-H201 AromaticContact CZ-NE2 3.75Å; Y197-H201 PolarHBondContact O-N 3.37Å; Y197-H201 VanDerWaalsContact O-N 3.14Å; Y197-H201 PolarHBondContact O-ND1 3.2Å
198V98.8Very high98.2Very high0 Ų050.8 Ų50.80%030%0.301CS..Hα-helixtrans-62.1-50.8-176.5179.30000110.9L29 A30 T100 M180 I194 E195 K200 H201 L202L29-V198 HydrophobicContact CB-CB 4.31Å; L29-V198 HydrophobicContact CB-CG1 4.07Å; L29-V198 HydrophobicContact CB-CG2 3.85Å; L29-V198 HydrophobicContact CD1-CG1 4.17Å; A30-V198 HydrophobicContact CB-CG2 4.21Å; T100-V198 HydrophobicContact CG2-CG1 4.37Å; M180-V198 HydrophobicContact CE-CB 4.5Å; M180-V198 HydrophobicContact CE-CG1 3.94Å; M180-V198 HydrophobicContact CG-CB 4.46Å; I194-V198 HydrophobicContact CG2-CG2 4.35Å; I194-V198 WeakPolarHBondContact O-CG2 3.3Å; I194-V198 PolarHBondContact O-N 2.87Å; E195-V198 PolarHBondContact O-N 3.2Å; V198-K200 VanDerWaalsContact C-N 3.33Å; V198-K200 PolarHBondContact O-N 2.95Å; V198-H201 PolarHBondContact O-N 2.79Å; V198-L202 HydrophobicContact CG1-CD1 3.73Å; V198-L202 HydrophobicContact CG1-CG 4.33Å; V198-L202 WeakPolarHBondContact O-CG 3.16Å; V198-L202 PolarHBondContact O-N 3.47Å
199C98.7Very high98.2Very high1 Ų153 Ų531%0.00731%0.307CS..Hα-helixtrans-61.5-41.5-177.4-62.70000111.8E195 H201 L202 G203 I204 G205 T206E195-C199 WeakPolarHBondContact O-CB 3.47Å; E195-C199 PolarHBondContact O-N 2.78Å; E195-C199 PolarHBondContact O-SG 2.99Å; C199-H201 PolarHBondContact O-N 3.21Å; C199-L202 CarbonylContact O-C 3.6Å; C199-L202 PolarHBondContact O-N 3.29Å; C199-G203 PolarHBondContact O-N 2.99Å; C199-I204 CarbonylContact C-O 3.48Å; C199-I204 VanDerWaalsContact C-O 3.3Å; C199-I204 HydrophobicContact CB-CG1 3.99Å; C199-I204 WeakPolarHBondContact CB-O 3.37Å; C199-I204 PolarHBondContact O-N 2.91Å; C199-G205 WeakPolarHBondContact CB-O 3.48Å; C199-T206 HydrophobicContact CB-CG2 3.75Å
200K98.6Very high98.3Very high167 Ų16748.5 Ų48.573%0.72628%0.284SS*.Hα-helixtrans-59.5-44.4175.9-178.8-175.3177.1-174.70112.5S196 Y197 V198 L202 G203S196-K200 WeakPolarHBondContact O-CB 3.39Å; S196-K200 PolarHBondContact O-N 3.44Å; Y197-K200 PolarHBondContact O-N 3.41Å; V198-K200 VanDerWaalsContact C-N 3.33Å; V198-K200 PolarHBondContact O-N 2.95Å; K200-L202 VanDerWaalsContact C-N 3.33Å; K200-G203 PolarHBondContact O-N 3.25Å
201H98.7Very high98.3Very high100 Ų10049.8 Ų49.846%0.46329%0.291SS..Hα-helixtrans-72.8-27-178.8-72.484.7000112.7L29 Y197 V198 C199 G203L29-H201 HydrophobicContact CD1-CB 3.86Å; L29-H201 HydrophobicContact CD2-CB 3.53Å; L29-H201 HydrophobicContact CG-CB 4.35Å; Y197-H201 AromaticContact CD1-CE1 3.76Å; Y197-H201 AromaticContact CD1-ND1 3.48Å; Y197-H201 WeakPolarHBondContact CD1-ND1 3.27Å; Y197-H201 AromaticContact CD2-CE1 3.64Å; Y197-H201 AromaticContact CE1-CE1 3.45Å; Y197-H201 VanDerWaalsContact CE1-CE1 3.45Å; Y197-H201 WeakPolarHBondContact CE1-CE1 3.42Å; Y197-H201 AromaticContact CE1-ND1 3.46Å; Y197-H201 WeakPolarHBondContact CE1-ND1 3.49Å; Y197-H201 AromaticContact CE2-CE1 3.34Å; Y197-H201 WeakPolarHBondContact CE2-CE1 3.49Å; Y197-H201 AromaticContact CG-CE1 3.85Å; Y197-H201 AromaticContact CG-ND1 3.8Å; Y197-H201 AromaticContact CZ-CE1 3.23Å; Y197-H201 AromaticContact CZ-ND1 3.77Å; Y197-H201 AromaticContact CZ-NE2 3.75Å; Y197-H201 PolarHBondContact O-N 3.37Å; Y197-H201 VanDerWaalsContact O-N 3.14Å; Y197-H201 PolarHBondContact O-ND1 3.2Å; V198-H201 PolarHBondContact O-N 2.79Å; C199-H201 PolarHBondContact O-N 3.21Å; H201-G203 VanDerWaalsContact C-N 3.3Å
202L98.6Very high98.4Very high10 Ų1050.5 Ų50.55%0.05229%0.292CS..Hα-helixtrans-81.5-7.2171.6-65.6176.3000113.5E25 V26 L29 T100 F104 V198 C199 K200 I204E25-L202 HydrophobicContact CG-CD2 3.85Å; V26-L202 HydrophobicContact CG2-CD1 3.77Å; L29-L202 HydrophobicContact CD1-CD1 4.43Å; L29-L202 HydrophobicContact CD1-CD2 3.69Å; L29-L202 HydrophobicContact CD1-CG 3.71Å; T100-L202 HydrophobicContact CG2-CD1 3.71Å; F104-L202 HydrophobicContact CD1-CD2 4.35Å; F104-L202 HydrophobicContact CD2-CB 4.08Å; F104-L202 HydrophobicContact CD2-CD2 3.99Å; F104-L202 HydrophobicContact CE1-CD2 4.48Å; F104-L202 HydrophobicContact CE2-CD2 4.14Å; F104-L202 HydrophobicContact CG-CD2 4.1Å; F104-L202 HydrophobicContact CZ-CD2 4.38Å; V198-L202 HydrophobicContact CG1-CD1 3.73Å; V198-L202 HydrophobicContact CG1-CG 4.33Å; V198-L202 WeakPolarHBondContact O-CG 3.16Å; V198-L202 PolarHBondContact O-N 3.47Å; C199-L202 CarbonylContact O-C 3.6Å; C199-L202 PolarHBondContact O-N 3.29Å; K200-L202 VanDerWaalsContact C-N 3.33Å; L202-I204 HydrophobicContact CB-CD1 4.11Å; L202-I204 HydrophobicContact CB-CG1 3.95Å; L202-I204 HydrophobicContact CD1-CD1 4.16Å
203G98.5Very high98.4Very high48 Ų4847.6 Ų47.650%0.49527%0.273SS..THydrogen-bonded Turntrans68.132.9-178.200000113.7C199 K200 H201C199-G203 PolarHBondContact O-N 2.99Å; K200-G203 PolarHBondContact O-N 3.25Å; H201-G203 VanDerWaalsContact C-N 3.3Å
204I98.7Very high98.5Very high15 Ų1542.5 Ų42.58%0.07725%0.249CC..  trans-123.3160.2177.561.6179.6000110.3T100 K107 E176 C199 L202T100-I204 HydrophobicContact CG2-CD1 3.81Å; K107-I204 HydrophobicContact CB-CG2 4.38Å; K107-I204 HydrophobicContact CD-CG2 3.88Å; E176-I204 HydrophobicContact CB-CG2 4.19Å; E176-I204 WeakPolarHBondContact O-CB 3.35Å; C199-I204 CarbonylContact C-O 3.48Å; C199-I204 VanDerWaalsContact C-O 3.3Å; C199-I204 HydrophobicContact CB-CG1 3.99Å; C199-I204 WeakPolarHBondContact CB-O 3.37Å; C199-I204 PolarHBondContact O-N 2.91Å; L202-I204 HydrophobicContact CB-CD1 4.11Å; L202-I204 HydrophobicContact CB-CG1 3.95Å; L202-I204 HydrophobicContact CD1-CD1 4.16Å
205G98.4Very high98.5Very high34 Ų3446.2 Ų46.235%0.35127%0.267SS..EExtended strand (participates in β ladder)trans-76175.7176.200000113.2E176 V177 G178 C199E176-G205 PolarHBondContact O-N 3.41Å; V177-G205 CarbonylContact C-O 3.3Å; V177-G205 VanDerWaalsContact CA-O 3.28Å; V177-G205 WeakPolarHBondContact CA-O 3.5Å; G178-G205 PolarHBondContact N-O 2.82Å; C199-G205 WeakPolarHBondContact CB-O 3.48Å
206T98.3Very high98.5Very high58 Ų5846 Ų4636%0.35627%0.265SS..EExtended strand (participates in β ladder)trans-104.3139.9170.955.70000110.2E195 C199 P208E195-T206 HydrophobicContact CG-CG2 3.97Å; C199-T206 HydrophobicContact CB-CG2 3.75Å; T206-P208 WeakPolarHBondContact O-CD 3.22Å
207A98.1Very high98.5Very high3 Ų346.7 Ų46.73%0.02526%0.264CS..  trans-69.7121.2172.700000110.1G178 K179 V209 L214G178-A207 WeakPolarHBondContact O-CB 3.33Å; G178-A207 PolarHBondContact O-N 3.06Å; K179-A207 HydrophobicContact CB-CB 4.44Å; A207-V209 PolarHBondContact O-N 3.06Å; A207-L214 HydrophobicContact CB-CD2 3.55Å
208P97.5Very high98.5Very high113 Ų11345.9 Ų45.973%0.73426%0.261SS*.SBendtrans-61.2-33.5-176.8-25.234.5000113.7T206T206-P208 WeakPolarHBondContact O-CD 3.22Å
209V97.8Very high98.5Very high123 Ų12346 Ų4675%0.74526%0.261SS*.SBendtrans-141.4134.6172.2-177.70000106.9A207A207-V209 PolarHBondContact O-N 3.06Å
210S98.4Very high98.5Very high10 Ų1046.1 Ų46.17%0.0726%0.263CS..  trans-134164.9174.8540000110.1S181 G185S181-S210 WeakPolarHBondContact CB-OG 3.43Å; S181-S210 PolarHBondContact OG-OG 2.86Å; G185-S210 WeakPolarHBondContact CA-O 3.43Å
211T98.6Very high98.5Very high28 Ų2842.5 Ų42.517%0.17225%0.245CC..SBendtrans-105.9-138.7170.556.90000107.6K179 G185 T213 Q215 E300K179-T211 WeakPolarHBondContact CE-O 3.15Å; K179-T211 PolarHBondContact NZ-O 3.1Å; G185-T211 WeakPolarHBondContact CA-O 3.46Å; G185-T211 PolarHBondContact N-O 2.71Å; T211-T213 PolarHBondContact N-O 3.29Å; T211-T213 VanDerWaalsContact N-O 3.11Å; T211-T213 PolarHBondContact O-N 2.72Å; T211-T213 PolarHBondContact OG1-N 3.47Å; T211-T213 PolarHBondContact OG1-O 3.04Å; T211-Q215 PolarHBondContact OG1-NE2 3.13Å; T211-E300 WeakPolarHBondContact CB-O 3.48Å; T211-E300 PolarHBondContact OG1-O 3.15Å
212Q98.6Very high98.5Very high50 Ų5037.7 Ų37.723%0.23422%0.223CC..SBendtrans-64.4-18.9161.6-159.2166.794.800111.2T93 T95 K179 A183 E300 R301T93-Q212 HydrophobicContact CG2-CG 4.11Å; T95-Q212 WeakPolarHBondContact CB-O 3.38Å; K179-Q212 VanDerWaalsContact CE-O 3.31Å; K179-Q212 WeakPolarHBondContact CE-O 3.25Å; K179-Q212 VanDerWaalsContact NZ-C 3.27Å; K179-Q212 PolarHBondContact NZ-O 3.26Å; A183-Q212 WeakPolarHBondContact O-CB 3.48Å; A183-Q212 WeakPolarHBondContact O-CG 3.25Å; A183-Q212 PolarHBondContact O-NE2 2.8Å; Q212-E300 WeakPolarHBondContact CB-O 3.49Å; Q212-E300 PolarHBondContact N-O 3.09Å; Q212-R301 HydrophobicContact CB-CB 4.26Å; Q212-R301 HydrophobicContact CB-CG 3.69Å; Q212-R301 HydrophobicContact CG-CG 4.17Å
213T98.8Very high98.5Very high1 Ų137.2 Ų37.21%0.00622%0.22CC..SBendtrans-130166.5-178.372.60000114T95 D99 T211 Q215 R216 R301T95-T213 HydrophobicContact CG2-CG2 3.86Å; D99-T213 WeakPolarHBondContact OD2-CA 3.28Å; D99-T213 WeakPolarHBondContact OD2-CB 3.39Å; T211-T213 PolarHBondContact N-O 3.29Å; T211-T213 VanDerWaalsContact N-O 3.11Å; T211-T213 PolarHBondContact O-N 2.72Å; T211-T213 PolarHBondContact OG1-N 3.47Å; T211-T213 PolarHBondContact OG1-O 3.04Å; T213-Q215 PolarHBondContact O-NE2 3.38Å; T213-R216 VanDerWaalsContact CB-NH1 3.31Å; T213-R301 HydrophobicContact CG2-CB 3.82Å; T213-R301 HydrophobicContact CG2-CG 4.36Å
214L98.8Very high98.6Very high1 Ų136 Ų361%0.00521%0.205CC..  trans-61.5147.4153.3-62.4177.6000109.9D99 S103 V177 K179 A207 R216D99-L214 HydrophobicContact CB-CD1 3.85Å; D99-L214 HydrophobicContact CB-CG 3.89Å; D99-L214 PolarHBondContact OD2-N 3.31Å; S103-L214 WeakPolarHBondContact OG-CD1 3.32Å; V177-L214 HydrophobicContact CG2-CD1 4.33Å; V177-L214 HydrophobicContact CG2-CD2 4.09Å; V177-L214 WeakPolarHBondContact O-CD1 3.36Å; K179-L214 HydrophobicContact CB-CD2 3.85Å; K179-L214 HydrophobicContact CG-CD2 3.78Å; K179-L214 HydrophobicContact CG-CG 3.91Å; A207-L214 HydrophobicContact CB-CD2 3.55Å; L214-R216 PolarHBondContact O-NH1 2.9Å
215Q98.7Very high98.6Very high79 Ų7935.7 Ų35.737%0.36920%0.204SC..  trans-76.3134.4177.7-57.4-55.2-73.700110T211 T213 D217 R218T211-Q215 PolarHBondContact OG1-NE2 3.13Å; T213-Q215 PolarHBondContact O-NE2 3.38Å; Q215-D217 VanDerWaalsContact C-N 3.26Å; Q215-D217 VanDerWaalsContact C-OD1 3.29Å; Q215-D217 WeakPolarHBondContact CB-OD1 3.5Å; Q215-D217 PolarHBondContact O-N 2.84Å; Q215-R218 PolarHBondContact O-N 2.98Å
216R98.8Very high98.6Very high4 Ų434.1 Ų34.12%0.01519%0.188CC..THydrogen-bonded Turntrans-78.5-5.7-169.5-100.359.3-169.8169.82.6114D99 T213 L214 R218 H219 A220 N294 L297 H305 E309D99-R216 IonicContact OD1-CZ 2.73Å; D99-R216 IonicContact OD1-NH1 3.81Å; D99-R216 PolarHBondContact OD1-NH1 2.92Å; D99-R216 IonicContact OD1-NH2 2.97Å; D99-R216 PolarHBondContact OD1-NH2 3.39Å; D99-R216 IonicContact OD2-CZ 3.58Å; D99-R216 IonicContact OD2-NH1 3.3Å; D99-R216 PolarHBondContact OD2-NH1 3.17Å; D99-R216 IonicContact OD2-NH2 3.03Å; T213-R216 VanDerWaalsContact CB-NH1 3.31Å; L214-R216 PolarHBondContact O-NH1 2.9Å; R216-R218 PolarHBondContact O-N 3.41Å; R216-H219 WeakPolarHBondContact O-CB 3.38Å; R216-H219 PolarHBondContact O-N 3Å; R216-H219 VanDerWaalsContact O-N 3.11Å; R216-A220 PolarHBondContact O-N 2.92Å; R216-N294 HydrophobicContact CB-CB 4.44Å; R216-N294 VanDerWaalsContact CB-O 3.27Å; R216-N294 WeakPolarHBondContact CB-O 3.47Å; R216-N294 HydrophobicContact CG-CB 4.23Å; R216-L297 HydrophobicContact CG-CD1 4.49Å; R216-H305 HydrophobicContact CG-CB 4.15Å; R216-H305 PolarHBondContact NE-CD2 3.12Å; R216-H305 PolarHBondContact NH2-CD2 2.97Å; R216-H305 PolarHBondContact NH2-NE2 2.67Å; R216-H305 VanDerWaalsContact NH2-NE2 3.2Å; R216-E309 WeakPolarHBondContact CG-OE1 3.41Å; R216-E309 IonicContact CZ-OE1 2.71Å; R216-E309 IonicContact CZ-OE2 3.11Å; R216-E309 IonicContact NE-OE1 2.99Å; R216-E309 PolarHBondContact NE-OE1 3Å; R216-E309 IonicContact NE-OE2 2.9Å; R216-E309 IonicContact NH2-OE1 3.8Å; R216-E309 IonicContact NH2-OE2 3.2Å; R216-E309 PolarHBondContact NH2-OE2 2.72Å
217D98.8Very high98.6Very high79 Ų7931.4 Ų31.442%0.42217%0.171SC..Hα-helixtrans-58.9-35169.365.7-59.4000112Q215 H219 A220 Y221 V295Q215-D217 VanDerWaalsContact C-N 3.26Å; Q215-D217 VanDerWaalsContact C-OD1 3.29Å; Q215-D217 WeakPolarHBondContact CB-OD1 3.5Å; Q215-D217 PolarHBondContact O-N 2.84Å; D217-H219 VanDerWaalsContact C-N 3.32Å; D217-H219 PolarHBondContact O-N 3.48Å; D217-A220 PolarHBondContact O-N 2.96Å; D217-Y221 WeakPolarHBondContact O-CB 3.34Å; D217-Y221 PolarHBondContact O-N 3.43Å; D217-V295 HydrophobicContact CB-CG1 4.36Å
218R98.7Very high98.7Very high39 Ų3934.7 Ų34.715%0.14719%0.188CC..Hα-helixtrans-57-45.5172.5-60.6175.4178.7-66.2-14111.7E174 I175 Q215 R216 Y221 Y222E174-R218 VanDerWaalsContact O-CD 3.26Å; E174-R218 WeakPolarHBondContact O-CD 3.26Å; E174-R218 WeakPolarHBondContact O-CG 3.15Å; E174-R218 PolarHBondContact O-NH1 3.23Å; E174-R218 IonicContact OE2-CZ 3.7Å; E174-R218 IonicContact OE2-NH1 3.51Å; E174-R218 PolarHBondContact OE2-NH1 3.08Å; I175-R218 HydrophobicContact CD1-CB 3.85Å; Q215-R218 PolarHBondContact O-N 2.98Å; R216-R218 PolarHBondContact O-N 3.41Å; R218-Y221 PolarHBondContact O-N 3.46Å; R218-Y222 WeakPolarHBondContact O-CB 3.28Å; R218-Y222 PolarHBondContact O-N 3.34Å
219H98.8Very high98.7Very high2 Ų229.3 Ų29.31%0.00915%0.153CC..Hα-helixtrans-72.2-39.2-178.4-58.971.6000110.8I175 R216 D217 Y222 I223I175-H219 HydrophobicContact CD1-CB 4.31Å; R216-H219 WeakPolarHBondContact O-CB 3.38Å; R216-H219 PolarHBondContact O-N 3Å; R216-H219 VanDerWaalsContact O-N 3.11Å; D217-H219 VanDerWaalsContact C-N 3.32Å; D217-H219 PolarHBondContact O-N 3.48Å; H219-Y222 WeakPolarHBondContact O-CB 3.39Å; H219-Y222 PolarHBondContact O-N 2.95Å; H219-I223 WeakPolarHBondContact O-CG1 3.47Å; H219-I223 PolarHBondContact O-N 2.65Å
220A98.8Very high98.8Very high5 Ų523.4 Ų23.44%0.04112%0.117CC..Hα-helixtrans-60.6-45173.100000112R216 D217 I223 A224 Y292 V295R216-A220 PolarHBondContact O-N 2.92Å; D217-A220 PolarHBondContact O-N 2.96Å; A220-I223 PolarHBondContact O-N 2.98Å; A220-A224 WeakPolarHBondContact O-CB 3.43Å; A220-A224 PolarHBondContact O-N 2.83Å; A220-Y292 HydrophobicContact CB-CD2 3.83Å; A220-Y292 HydrophobicContact CB-CE2 3.99Å; A220-Y292 HydrophobicContact CB-CG 4.46Å; A220-V295 HydrophobicContact CB-CG2 3.78Å
221Y98.8Very high98.8Very high90 Ų9025.4 Ų25.435%0.35313%0.129SC..Hα-helixtrans-64.2-40.2176.2-177.6-146.3000112V171 E174 D217 R218 A224 T225V171-Y221 HydrophobicContact CB-CD1 4.12Å; V171-Y221 HydrophobicContact CB-CE1 3.9Å; V171-Y221 HydrophobicContact CG2-CD1 3.48Å; V171-Y221 VanDerWaalsContact CG2-CD1 3.48Å; V171-Y221 HydrophobicContact CG2-CD2 4.36Å; V171-Y221 HydrophobicContact CG2-CE1 3.8Å; V171-Y221 HydrophobicContact CG2-CG 3.77Å; E174-Y221 HydrophobicContact CB-CD1 4.34Å; E174-Y221 HydrophobicContact CG-CD1 4.17Å; E174-Y221 HydrophobicContact CG-CE1 4.18Å; D217-Y221 WeakPolarHBondContact O-CB 3.34Å; D217-Y221 PolarHBondContact O-N 3.43Å; R218-Y221 PolarHBondContact O-N 3.46Å; Y221-A224 PolarHBondContact O-N 3.27Å; Y221-T225 WeakPolarHBondContact O-CB 3.26Å; Y221-T225 PolarHBondContact O-N 3.24Å; Y221-T225 PolarHBondContact O-OG1 3Å
222Y98.9Very high98.8Very high0 Ų024.3 Ų24.30%012%0.123CC..Hα-helixtrans-58.3-55.2174.1179.8-111.8000112.1I106 N110 F168 V171 I175 R218 H219 A224 T225 L226 L313 T317I106-Y222 HydrophobicContact CG2-CE1 4.31Å; I106-Y222 HydrophobicContact CG2-CE2 4.27Å; N110-Y222 WeakPolarHBondContact OD1-CE2 3.23Å; N110-Y222 VanDerWaalsContact OD1-CZ 3.27Å; N110-Y222 PolarHBondContact OD1-OH 2.67Å; F168-Y222 HydrophobicContact CE2-CE2 4.48Å; V171-Y222 HydrophobicContact CG1-CD2 4.1Å; V171-Y222 HydrophobicContact CG2-CD2 4.32Å; I175-Y222 HydrophobicContact CB-CD2 4.47Å; I175-Y222 HydrophobicContact CG1-CG 4.28Å; I175-Y222 HydrophobicContact CG2-CD2 3.91Å; I175-Y222 HydrophobicContact CG2-CE2 4.31Å; I175-Y222 HydrophobicContact CG2-CG 4.4Å; R218-Y222 WeakPolarHBondContact O-CB 3.28Å; R218-Y222 PolarHBondContact O-N 3.34Å; H219-Y222 WeakPolarHBondContact O-CB 3.39Å; H219-Y222 PolarHBondContact O-N 2.95Å; Y222-A224 VanDerWaalsContact C-N 3.33Å; Y222-A224 PolarHBondContact O-N 3.46Å; Y222-T225 WeakPolarHBondContact O-CB 3.48Å; Y222-T225 PolarHBondContact O-N 2.67Å; Y222-T225 VanDerWaalsContact O-N 3.12Å; Y222-L226 HydrophobicContact CD1-CD1 4.27Å; Y222-L226 HydrophobicContact CD2-CG 4.49Å; Y222-L226 HydrophobicContact CE1-CD1 3.61Å; Y222-L226 HydrophobicContact CE1-CG 4.33Å; Y222-L226 HydrophobicContact CE2-CD1 4.09Å; Y222-L226 HydrophobicContact CE2-CD2 4.09Å; Y222-L226 HydrophobicContact CE2-CG 4.2Å; Y222-L226 WeakPolarHBondContact O-CG 3.37Å; Y222-L226 PolarHBondContact O-N 3.12Å; Y222-L313 HydrophobicContact CD1-CD2 4.47Å; Y222-T317 HydrophobicContact CE1-CG2 4.22Å; Y222-T317 VanDerWaalsContact OH-CG2 3.31Å; Y222-T317 WeakPolarHBondContact OH-CG2 3.32Å
223I98.8Very high98.9Very high0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-61.4-40.8179.2-64.9-56000111.8H219 A220 T225 L226 A227 A291 M312 L313 V316H219-I223 WeakPolarHBondContact O-CG1 3.47Å; H219-I223 PolarHBondContact O-N 2.65Å; A220-I223 PolarHBondContact O-N 2.98Å; I223-T225 VanDerWaalsContact C-N 3.3Å; I223-T225 PolarHBondContact O-N 3.3Å; I223-L226 PolarHBondContact O-N 3.28Å; I223-A227 VanDerWaalsContact O-CB 3.27Å; I223-A227 WeakPolarHBondContact O-CB 3.45Å; I223-A227 PolarHBondContact O-N 2.69Å; I223-A291 HydrophobicContact CB-CB 3.73Å; I223-A291 HydrophobicContact CG1-CB 3.81Å; I223-A291 HydrophobicContact CG2-CB 3.89Å; I223-M312 HydrophobicContact CG1-SD 4.48Å; I223-L313 HydrophobicContact CD1-CD2 4.12Å; I223-V316 HydrophobicContact CD1-CB 4.08Å; I223-V316 HydrophobicContact CD1-CG1 3.99Å; I223-V316 HydrophobicContact CD1-CG2 4.1Å
224A98.8Very high98.9Very high22 Ų2223.3 Ų23.318%0.18212%0.118CC..Hα-helixtrans-59.9-40.7175.700000112.2A220 Y221 Y222 A227 L228 Y292A220-A224 WeakPolarHBondContact O-CB 3.43Å; A220-A224 PolarHBondContact O-N 2.83Å; Y221-A224 PolarHBondContact O-N 3.27Å; Y222-A224 VanDerWaalsContact C-N 3.33Å; Y222-A224 PolarHBondContact O-N 3.46Å; A224-A227 PolarHBondContact O-N 3.11Å; A224-L228 WeakPolarHBondContact O-CB 3.44Å; A224-L228 PolarHBondContact O-N 3.03Å; A224-Y292 HydrophobicContact CB-CE2 4.18Å
225T98.9Very high98.9Very high9 Ų927.4 Ų27.46%0.05514%0.136CC..Hα-helixtrans-66.7-46.3177.7-59.70000111.5R167 V171 Y221 Y222 I223 A227 L228 I229R167-T225 HydrophobicContact CB-CG2 4.02Å; V171-T225 HydrophobicContact CB-CG2 4.45Å; V171-T225 HydrophobicContact CG1-CG2 3.73Å; Y221-T225 WeakPolarHBondContact O-CB 3.26Å; Y221-T225 PolarHBondContact O-N 3.24Å; Y221-T225 PolarHBondContact O-OG1 3Å; Y222-T225 WeakPolarHBondContact O-CB 3.48Å; Y222-T225 PolarHBondContact O-N 2.67Å; Y222-T225 VanDerWaalsContact O-N 3.12Å; I223-T225 VanDerWaalsContact C-N 3.3Å; I223-T225 PolarHBondContact O-N 3.3Å; T225-A227 VanDerWaalsContact C-N 3.3Å; T225-A227 PolarHBondContact O-N 3.2Å; T225-L228 WeakPolarHBondContact O-CB 3.46Å; T225-L228 PolarHBondContact O-N 3.14Å; T225-I229 HydrophobicContact CG2-CD1 4.46Å; T225-I229 WeakPolarHBondContact O-CG1 3.48Å; T225-I229 PolarHBondContact O-N 3.24Å; T225-I229 VanDerWaalsContact O-N 3.07Å
226L98.9Very high98.9Very high0 Ų023.6 Ų23.60%012%0.118CC..Hα-helixtrans-61.6-39.6176.2-61.5-162000112F168 Y222 I223 I229 A230 V316 T317 L320F168-L226 HydrophobicContact CD2-CD2 3.85Å; F168-L226 HydrophobicContact CE2-CD2 3.66Å; Y222-L226 HydrophobicContact CD1-CD1 4.27Å; Y222-L226 HydrophobicContact CD2-CG 4.49Å; Y222-L226 HydrophobicContact CE1-CD1 3.61Å; Y222-L226 HydrophobicContact CE1-CG 4.33Å; Y222-L226 HydrophobicContact CE2-CD1 4.09Å; Y222-L226 HydrophobicContact CE2-CD2 4.09Å; Y222-L226 HydrophobicContact CE2-CG 4.2Å; Y222-L226 WeakPolarHBondContact O-CG 3.37Å; Y222-L226 PolarHBondContact O-N 3.12Å; I223-L226 PolarHBondContact O-N 3.28Å; L226-I229 HydrophobicContact CD2-CD1 4.3Å; L226-I229 WeakPolarHBondContact O-CB 3.45Å; L226-I229 PolarHBondContact O-N 3.18Å; L226-A230 PolarHBondContact O-N 3.46Å; L226-V316 HydrophobicContact CB-CG1 3.82Å; L226-V316 HydrophobicContact CD1-CG1 3.53Å; L226-V316 HydrophobicContact CG-CG1 4.3Å; L226-T317 HydrophobicContact CD1-CG2 4.05Å; L226-L320 HydrophobicContact CB-CD2 3.94Å; L226-L320 HydrophobicContact CD1-CD2 4.32Å; L226-L320 HydrophobicContact CD2-CD2 3.73Å; L226-L320 HydrophobicContact CG-CD2 4.18Å
227A98.9Very high98.9Very high1 Ų123.4 Ų23.41%0.00812%0.117CC..Hα-helixtrans-68.6-33176.600000113.1I223 A224 T225 A230 T231 I284 R285 I288I223-A227 VanDerWaalsContact O-CB 3.27Å; I223-A227 WeakPolarHBondContact O-CB 3.45Å; I223-A227 PolarHBondContact O-N 2.69Å; A224-A227 PolarHBondContact O-N 3.11Å; T225-A227 VanDerWaalsContact C-N 3.3Å; T225-A227 PolarHBondContact O-N 3.2Å; A227-A230 PolarHBondContact O-N 2.9Å; A227-T231 WeakPolarHBondContact O-CB 3.4Å; A227-T231 PolarHBondContact O-N 2.97Å; A227-T231 PolarHBondContact O-OG1 3.11Å; A227-I284 HydrophobicContact CB-CG2 3.93Å; A227-R285 HydrophobicContact CB-CG 4.18Å; A227-I288 HydrophobicContact CB-CD1 3.58Å; A227-I288 HydrophobicContact CB-CG1 3.64Å
228L98.9Very high98.9Very high72 Ų7222 Ų2238%0.37711%0.112SC..Hα-helixtrans-66-43173-176.360.7000111.4A224 T225 T231 S232A224-L228 WeakPolarHBondContact O-CB 3.44Å; A224-L228 PolarHBondContact O-N 3.03Å; T225-L228 WeakPolarHBondContact O-CB 3.46Å; T225-L228 PolarHBondContact O-N 3.14Å; L228-T231 WeakPolarHBondContact O-CB 3.3Å; L228-T231 PolarHBondContact O-N 2.83Å; L228-T231 VanDerWaalsContact O-N 3.14Å; L228-S232 PolarHBondContact O-N 2.95Å
229I98.9Very high98.9Very high0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-57.5-51.2173.5-64.2165.4000110L117 M161 N164 F168 T225 L226 T231 S232 L233 L320 L324L117-I229 HydrophobicContact CD1-CD1 4.15Å; L117-I229 HydrophobicContact CD2-CD1 4.36Å; L117-I229 HydrophobicContact CD2-CG2 3.84Å; M161-I229 HydrophobicContact CE-CG2 4.2Å; N164-I229 HydrophobicContact CB-CG1 4.02Å; F168-I229 HydrophobicContact CB-CD1 4.31Å; F168-I229 HydrophobicContact CD2-CD1 4.06Å; T225-I229 HydrophobicContact CG2-CD1 4.46Å; T225-I229 WeakPolarHBondContact O-CG1 3.48Å; T225-I229 PolarHBondContact O-N 3.24Å; T225-I229 VanDerWaalsContact O-N 3.07Å; L226-I229 HydrophobicContact CD2-CD1 4.3Å; L226-I229 WeakPolarHBondContact O-CB 3.45Å; L226-I229 PolarHBondContact O-N 3.18Å; I229-T231 PolarHBondContact O-N 3.35Å; I229-S232 WeakPolarHBondContact O-CB 3.39Å; I229-S232 PolarHBondContact O-N 3.37Å; I229-S232 VanDerWaalsContact O-N 3.11Å; I229-L233 PolarHBondContact O-N 3.06Å; I229-L320 HydrophobicContact CB-CD1 4.37Å; I229-L320 HydrophobicContact CD1-CD2 4.47Å; I229-L320 HydrophobicContact CG2-CD1 3.87Å; I229-L320 HydrophobicContact CG2-CD2 4.44Å; I229-L324 HydrophobicContact CG2-CD2 4.41Å
230A98.9Very high98.9Very high0 Ų022.3 Ų22.30%012%0.115CC..Hα-helixtrans-59.2-34.3177.800000112.3L226 A227 L233 E234 S281 I284 L320L226-A230 PolarHBondContact O-N 3.46Å; A227-A230 PolarHBondContact O-N 2.9Å; A230-L233 WeakPolarHBondContact O-CB 3.31Å; A230-L233 PolarHBondContact O-N 3.07Å; A230-E234 PolarHBondContact O-N 2.71Å; A230-S281 VanDerWaalsContact O-CB 3.26Å; A230-S281 WeakPolarHBondContact O-CB 3.46Å; A230-S281 PolarHBondContact O-OG 3.4Å; A230-I284 HydrophobicContact CB-CB 4.14Å; A230-I284 HydrophobicContact CB-CD1 3.72Å; A230-I284 HydrophobicContact CB-CG2 4.05Å; A230-L320 HydrophobicContact CB-CD1 4.25Å
231T98.9Very high98.9Very high51 Ų5125.8 Ų25.831%0.31313%0.127SC..Hα-helixtrans-70.3-36.6177.2-580000112.2A227 L228 I229 E234 K235 R285A227-T231 WeakPolarHBondContact O-CB 3.4Å; A227-T231 PolarHBondContact O-N 2.97Å; A227-T231 PolarHBondContact O-OG1 3.11Å; L228-T231 WeakPolarHBondContact O-CB 3.3Å; L228-T231 PolarHBondContact O-N 2.83Å; L228-T231 VanDerWaalsContact O-N 3.14Å; I229-T231 PolarHBondContact O-N 3.35Å; T231-E234 PolarHBondContact O-N 2.99Å; T231-K235 PolarHBondContact O-N 3.44Å; T231-R285 VanDerWaalsContact OG1-CD 3.3Å; T231-R285 WeakPolarHBondContact OG1-CD 3.22Å; T231-R285 PolarHBondContact OG1-NH1 2.87Å; T231-R285 VanDerWaalsContact OG1-NH1 3.08Å
232S98.9Very high98.9Very high6 Ų624.2 Ų24.24%0.04212%0.124CC..Hα-helixtrans-60.3-44.2168.4-72.10000111.6E160 N164 L228 I229 E234 K235 F236E160-S232 VanDerWaalsContact OE1-CB 3.27Å; E160-S232 WeakPolarHBondContact OE1-CB 3.33Å; E160-S232 PolarHBondContact OE1-OG 3.18Å; N164-S232 WeakPolarHBondContact ND2-CB 3.43Å; N164-S232 PolarHBondContact ND2-OG 3.35Å; L228-S232 PolarHBondContact O-N 2.95Å; I229-S232 WeakPolarHBondContact O-CB 3.39Å; I229-S232 PolarHBondContact O-N 3.37Å; I229-S232 VanDerWaalsContact O-N 3.11Å; S232-E234 VanDerWaalsContact C-N 3.31Å; S232-E234 PolarHBondContact O-N 3.32Å; S232-K235 WeakPolarHBondContact O-CB 3.37Å; S232-K235 PolarHBondContact O-N 3.28Å; S232-K235 VanDerWaalsContact O-N 3.16Å; S232-F236 WeakPolarHBondContact O-CD1 3.46Å; S232-F236 VanDerWaalsContact O-CD2 3.32Å; S232-F236 WeakPolarHBondContact O-CD2 3.46Å; S232-F236 WeakPolarHBondContact O-CG 3.37Å; S232-F236 PolarHBondContact O-N 2.86Å; S232-F236 VanDerWaalsContact O-N 3.13Å
233L98.9Very high98.9Very high0 Ų024.4 Ų24.40%013%0.125CC..Hα-helixtrans-59.8-40.7175.1-59-179.5000112F120 I229 A230 F236 A237 I277 L320 A323 L324 F327F120-L233 HydrophobicContact CD1-CD2 4.05Å; F120-L233 HydrophobicContact CE1-CD2 3.5Å; F120-L233 VanDerWaalsContact CE1-CD2 3.5Å; F120-L233 HydrophobicContact CZ-CD2 4.14Å; I229-L233 PolarHBondContact O-N 3.06Å; A230-L233 WeakPolarHBondContact O-CB 3.31Å; A230-L233 PolarHBondContact O-N 3.07Å; L233-F236 HydrophobicContact CD2-CD2 4.49Å; L233-F236 PolarHBondContact O-N 3.4Å; L233-A237 VanDerWaalsContact O-CB 3.28Å; L233-A237 WeakPolarHBondContact O-CB 3.46Å; L233-A237 PolarHBondContact O-N 2.94Å; L233-I277 HydrophobicContact CB-CG2 3.76Å; L233-L320 HydrophobicContact CD1-CD1 4.32Å; L233-A323 HydrophobicContact CD1-CB 3.97Å; L233-L324 HydrophobicContact CD1-CD2 4.02Å; L233-L324 HydrophobicContact CD1-CG 4.23Å; L233-L324 HydrophobicContact CD2-CD2 4.17Å; L233-F327 HydrophobicContact CD2-CD1 3.9Å
234E98.9Very high98.9Very high29 Ų2925.1 Ų25.114%0.13613%0.129CC..Hα-helixtrans-61.8-43.5174.9177.6170.3-175.500111.9A230 T231 S232 F236 A237 V238 T278 R282 R285A230-E234 PolarHBondContact O-N 2.71Å; T231-E234 PolarHBondContact O-N 2.99Å; S232-E234 VanDerWaalsContact C-N 3.31Å; S232-E234 PolarHBondContact O-N 3.32Å; E234-F236 VanDerWaalsContact C-N 3.29Å; E234-F236 PolarHBondContact O-N 2.88Å; E234-A237 PolarHBondContact O-N 3.25Å; E234-V238 HydrophobicContact CG-CG2 4.17Å; E234-V238 WeakPolarHBondContact O-CB 3.31Å; E234-V238 VanDerWaalsContact O-CG2 3.27Å; E234-V238 WeakPolarHBondContact O-CG2 3.18Å; E234-V238 PolarHBondContact O-N 3.43Å; E234-T278 HydrophobicContact CG-CG2 4.07Å; E234-R282 IonicContact OE1-NE 3.27Å; E234-R285 IonicContact OE1-NH2 3.63Å; E234-R285 IonicContact OE2-CZ 2.55Å; E234-R285 IonicContact OE2-NH1 3.56Å; E234-R285 PolarHBondContact OE2-NH1 2.9Å; E234-R285 IonicContact OE2-NH2 2.95Å; E234-R285 PolarHBondContact OE2-NH2 3.24Å
235K98.9Very high98.9Very high87 Ų8729 Ų2938%0.37814%0.142SC..Hα-helixtrans-56.7-45.8176.8-176.6-176.966.5169.40111.3E160 T231 S232 V238 E239E160-K235 WeakPolarHBondContact OE1-CE 3.43Å; E160-K235 IonicContact OE1-NZ 2.75Å; E160-K235 PolarHBondContact OE1-NZ 2.83Å; E160-K235 IonicContact OE2-NZ 3.19Å; E160-K235 PolarHBondContact OE2-NZ 3.26Å; T231-K235 PolarHBondContact O-N 3.44Å; S232-K235 WeakPolarHBondContact O-CB 3.37Å; S232-K235 PolarHBondContact O-N 3.28Å; S232-K235 VanDerWaalsContact O-N 3.16Å; K235-V238 PolarHBondContact O-N 2.88Å; K235-E239 PolarHBondContact O-N 3.23Å
236F98.9Very high98.8Very high0 Ų034.7 Ų34.70%018%0.176CC..Hα-helixtrans-67.3-42.3179.5-52.1-24.6000111.5F120 W157 E160 M161 S232 L233 E234 V238 E239 I240 F327F120-F236 HydrophobicContact CE1-CD2 4.08Å; F120-F236 HydrophobicContact CE1-CE2 4.01Å; F120-F236 HydrophobicContact CZ-CD2 4.04Å; F120-F236 HydrophobicContact CZ-CE2 4.36Å; W157-F236 HydrophobicContact CB-CD1 4.08Å; W157-F236 HydrophobicContact CB-CD2 4.5Å; W157-F236 HydrophobicContact CB-CE1 3.65Å; W157-F236 HydrophobicContact CB-CE2 4.1Å; W157-F236 HydrophobicContact CB-CG 4.49Å; W157-F236 HydrophobicContact CB-CZ 3.66Å; W157-F236 AromaticContact CD1-CD1 3.32Å; W157-F236 AromaticContact CD1-CE1 3.21Å; W157-F236 HydrophobicContact CD2-CB 4.06Å; W157-F236 AromaticContact CD2-CD1 3.47Å; W157-F236 HydrophobicContact CD2-CD1 3.47Å; W157-F236 VanDerWaalsContact CD2-CD1 3.47Å; W157-F236 HydrophobicContact CD2-CD2 4.39Å; W157-F236 AromaticContact CD2-CE1 3.97Å; W157-F236 HydrophobicContact CD2-CE1 3.97Å; W157-F236 AromaticContact CD2-CG 3.72Å; W157-F236 HydrophobicContact CD2-CG 3.72Å; W157-F236 AromaticContact CE2-CD1 3.49Å; W157-F236 VanDerWaalsContact CE2-CD1 3.49Å; W157-F236 AromaticContact CE2-CG 3.97Å; W157-F236 HydrophobicContact CE3-CB 4.04Å; W157-F236 HydrophobicContact CE3-CD1 4.25Å; W157-F236 HydrophobicContact CE3-CG 4.02Å; W157-F236 AromaticContact CG-CD1 3.36Å; W157-F236 HydrophobicContact CG-CD1 3.36Å; W157-F236 HydrophobicContact CG-CD2 4.42Å; W157-F236 AromaticContact CG-CE1 3.31Å; W157-F236 HydrophobicContact CG-CE1 3.31Å; W157-F236 HydrophobicContact CG-CE2 4.38Å; W157-F236 AromaticContact CG-CG 3.95Å; W157-F236 HydrophobicContact CG-CG 3.95Å; W157-F236 AromaticContact CG-CZ 3.87Å; W157-F236 HydrophobicContact CG-CZ 3.87Å; W157-F236 HydrophobicContact CH2-CB 4.06Å; W157-F236 HydrophobicContact CZ2-CB 4.07Å; W157-F236 HydrophobicContact CZ2-CD1 4.25Å; W157-F236 HydrophobicContact CZ2-CG 4.47Å; W157-F236 HydrophobicContact CZ3-CB 4.04Å; W157-F236 AromaticContact NE1-CD1 3.38Å; W157-F236 AromaticContact NE1-CE1 3.78Å; E160-F236 HydrophobicContact CB-CZ 4.27Å; E160-F236 HydrophobicContact CG-CZ 4.34Å; M161-F236 HydrophobicContact CG-CE2 3.82Å; M161-F236 HydrophobicContact CG-CZ 4.23Å; M161-F236 HydrophobicContact SD-CE2 3.8Å; M161-F236 HydrophobicContact SD-CZ 4.31Å; S232-F236 WeakPolarHBondContact O-CD1 3.46Å; S232-F236 VanDerWaalsContact O-CD2 3.32Å; S232-F236 WeakPolarHBondContact O-CD2 3.46Å; S232-F236 WeakPolarHBondContact O-CG 3.37Å; S232-F236 PolarHBondContact O-N 2.86Å; S232-F236 VanDerWaalsContact O-N 3.13Å; L233-F236 HydrophobicContact CD2-CD2 4.49Å; L233-F236 PolarHBondContact O-N 3.4Å; E234-F236 VanDerWaalsContact C-N 3.29Å; E234-F236 PolarHBondContact O-N 2.88Å; F236-V238 PolarHBondContact O-N 2.85Å; F236-E239 WeakPolarHBondContact O-CB 3.37Å; F236-E239 PolarHBondContact O-N 3.37Å; F236-I240 PolarHBondContact O-N 2.68Å; F236-F327 HydrophobicContact CB-CE1 3.48Å; F236-F327 VanDerWaalsContact CB-CE1 3.48Å; F236-F327 HydrophobicContact CB-CZ 3.56Å; F236-F327 AromaticContact CD2-CE1 4Å; F236-F327 HydrophobicContact CD2-CE1 4Å; F236-F327 HydrophobicContact CG-CE1 4.26Å
237A98.9Very high98.7Very high0 Ų041.3 Ų41.30%021%0.207CC..Hα-helixtrans-62.6-40.9176.500000112.5L233 E234 E239 I240 R241 S274 I277 F327L233-A237 VanDerWaalsContact O-CB 3.28Å; L233-A237 WeakPolarHBondContact O-CB 3.46Å; L233-A237 PolarHBondContact O-N 2.94Å; E234-A237 PolarHBondContact O-N 3.25Å; A237-E239 VanDerWaalsContact C-N 3.29Å; A237-E239 PolarHBondContact O-N 3.43Å; A237-I240 PolarHBondContact O-N 3.1Å; A237-R241 WeakPolarHBondContact O-CB 3.5Å; A237-R241 WeakPolarHBondContact O-CD 3.46Å; A237-R241 WeakPolarHBondContact O-CG 3.39Å; A237-R241 PolarHBondContact O-N 3.02Å; A237-S274 WeakPolarHBondContact CB-O 3.48Å; A237-S274 WeakPolarHBondContact O-CB 3.37Å; A237-I277 HydrophobicContact CB-CB 4.18Å; A237-I277 HydrophobicContact CB-CG2 4.13Å; A237-F327 HydrophobicContact CB-CE2 3.88Å; A237-F327 HydrophobicContact CB-CZ 4.22Å
238V98.9Very high98.7Very high50 Ų5042.6 Ų42.630%0.30322%0.215SC..Hα-helixtrans-61.4-39.1174.2168.90000111.1E234 K235 F236 R241 N242E234-V238 HydrophobicContact CG-CG2 4.17Å; E234-V238 WeakPolarHBondContact O-CB 3.31Å; E234-V238 VanDerWaalsContact O-CG2 3.27Å; E234-V238 WeakPolarHBondContact O-CG2 3.18Å; E234-V238 PolarHBondContact O-N 3.43Å; K235-V238 PolarHBondContact O-N 2.88Å; F236-V238 PolarHBondContact O-N 2.85Å; V238-R241 PolarHBondContact O-N 2.68Å; V238-N242 PolarHBondContact O-N 3.36Å; V238-N242 PolarHBondContact O-ND2 2.83Å
239E98.9Very high98.7Very high46 Ų4644.8 Ų44.822%0.21522%0.218CC..Hα-helixtrans-65.5-47.4175.7-174.868.4174.700111.9K153 W157 K235 F236 A237 R241 N242 L243K153-E239 HydrophobicContact CD-CG 4.02Å; K153-E239 VanDerWaalsContact CE-OE1 3.28Å; K153-E239 WeakPolarHBondContact CE-OE1 3.18Å; K153-E239 IonicContact NZ-OE1 2.66Å; K153-E239 PolarHBondContact NZ-OE1 3.31Å; W157-E239 HydrophobicContact CH2-CB 4.26Å; W157-E239 HydrophobicContact CH2-CG 4.34Å; W157-E239 HydrophobicContact CZ2-CB 3.69Å; W157-E239 HydrophobicContact CZ2-CG 3.75Å; K235-E239 PolarHBondContact O-N 3.23Å; F236-E239 WeakPolarHBondContact O-CB 3.37Å; F236-E239 PolarHBondContact O-N 3.37Å; A237-E239 VanDerWaalsContact C-N 3.29Å; A237-E239 PolarHBondContact O-N 3.43Å; E239-R241 VanDerWaalsContact C-N 3.25Å; E239-R241 PolarHBondContact O-N 3.47Å; E239-N242 WeakPolarHBondContact O-CB 3.4Å; E239-N242 PolarHBondContact O-N 2.86Å; E239-L243 HydrophobicContact CG-CD1 3.96Å; E239-L243 HydrophobicContact CG-CG 4.21Å; E239-L243 WeakPolarHBondContact O-CG 3.39Å; E239-L243 PolarHBondContact O-N 2.84Å
240I98.8Very high98.6Very high1 Ų144.8 Ų44.81%0.00522%0.218CC..Hα-helixtrans-56.4-43.1175.5-68.8176.8000110.6W157 F236 A237 N242 L243 Q244 V251 E253 S274 F327 I330 V331 L334W157-I240 HydrophobicContact CH2-CG1 4.12Å; F236-I240 PolarHBondContact O-N 2.68Å; A237-I240 PolarHBondContact O-N 3.1Å; I240-N242 VanDerWaalsContact C-N 3.32Å; I240-N242 PolarHBondContact O-N 3.4Å; I240-L243 PolarHBondContact O-N 2.89Å; I240-Q244 VanDerWaalsContact O-CB 3.32Å; I240-Q244 WeakPolarHBondContact O-CB 3.44Å; I240-Q244 PolarHBondContact O-N 3.22Å; I240-V251 HydrophobicContact CG2-CG2 4.26Å; I240-E253 HydrophobicContact CG2-CG 4.16Å; I240-S274 WeakPolarHBondContact CG2-OG 3.38Å; I240-F327 HydrophobicContact CD1-CE2 3.86Å; I240-F327 HydrophobicContact CD1-CZ 3.75Å; I240-I330 HydrophobicContact CD1-CG2 4.15Å; I240-V331 HydrophobicContact CD1-CG2 4.25Å; I240-L334 HydrophobicContact CD1-CD1 4.26Å; I240-L334 HydrophobicContact CD1-CD2 4.23Å; I240-L334 HydrophobicContact CG1-CD2 4.31Å; I240-L334 HydrophobicContact CG2-CD1 4.08Å
241R98.8Very high98.6Very high77 Ų7744.8 Ų44.829%0.29122%0.218SC..Hα-helixtrans-60.6-39.9176.4-69.716364-150.6-6112.4A237 V238 E239 K245 P271 E275 T278A237-R241 WeakPolarHBondContact O-CB 3.5Å; A237-R241 WeakPolarHBondContact O-CD 3.46Å; A237-R241 WeakPolarHBondContact O-CG 3.39Å; A237-R241 PolarHBondContact O-N 3.02Å; V238-R241 PolarHBondContact O-N 2.68Å; E239-R241 VanDerWaalsContact C-N 3.25Å; E239-R241 PolarHBondContact O-N 3.47Å; R241-K245 PolarHBondContact O-N 2.92Å; R241-P271 HydrophobicContact CB-CG 4.22Å; R241-P271 HydrophobicContact CG-CB 3.91Å; R241-P271 HydrophobicContact CG-CG 3.76Å; R241-E275 HydrophobicContact CG-CG 4.28Å; R241-T278 PolarHBondContact NH1-OG1 3.47Å
242N98.8Very high98.6Very high57 Ų5743 Ų4331%0.30521%0.206SC..Hα-helixtrans-68.7-44.4176.1-79.6-52.7000112V238 E239 I240 Q244 K245V238-N242 PolarHBondContact O-N 3.36Å; V238-N242 PolarHBondContact O-ND2 2.83Å; E239-N242 WeakPolarHBondContact O-CB 3.4Å; E239-N242 PolarHBondContact O-N 2.86Å; I240-N242 VanDerWaalsContact C-N 3.32Å; I240-N242 PolarHBondContact O-N 3.4Å; N242-Q244 VanDerWaalsContact C-N 3.29Å; N242-Q244 PolarHBondContact O-N 2.95Å; N242-K245 VanDerWaalsContact O-CB 3.32Å; N242-K245 WeakPolarHBondContact O-CB 3.48Å; N242-K245 WeakPolarHBondContact O-CG 3.44Å; N242-K245 PolarHBondContact O-N 2.73Å; N242-K245 VanDerWaalsContact OD1-CE 3.28Å; N242-K245 WeakPolarHBondContact OD1-CE 3.27Å; N242-K245 PolarHBondContact OD1-NZ 2.83Å
243L98.8Very high98.6Very high4 Ų443.5 Ų43.52%0.02121%0.208CC..Hα-helixtrans-70.6-24-178.8-64.3-176.9000113M136 F150 K153 E239 I240 T248 R249 E250 V251M136-L243 HydrophobicContact CE-CD1 4.37Å; M136-L243 HydrophobicContact CE-CD2 4.08Å; F150-L243 HydrophobicContact CE2-CD1 4.07Å; K153-L243 HydrophobicContact CD-CD1 4.31Å; E239-L243 HydrophobicContact CG-CD1 3.96Å; E239-L243 HydrophobicContact CG-CG 4.21Å; E239-L243 WeakPolarHBondContact O-CG 3.39Å; E239-L243 PolarHBondContact O-N 2.84Å; I240-L243 PolarHBondContact O-N 2.89Å; L243-T248 HydrophobicContact CD2-CG2 4.35Å; L243-R249 CarbonylContact O-C 3.59Å; L243-R249 WeakPolarHBondContact O-CA 3.45Å; L243-R249 PolarHBondContact O-N 3.37Å; L243-E250 HydrophobicContact CB-CB 4.36Å; L243-E250 HydrophobicContact CD2-CB 4.33Å; L243-E250 VanDerWaalsContact CD2-OE2 3.28Å; L243-E250 WeakPolarHBondContact CD2-OE2 3.13Å; L243-E250 PolarHBondContact O-N 3.31Å; L243-V251 HydrophobicContact CB-CB 4.38Å; L243-V251 HydrophobicContact CB-CG1 4.3Å; L243-V251 HydrophobicContact CB-CG2 3.45Å; L243-V251 VanDerWaalsContact CB-CG2 3.45Å; L243-V251 HydrophobicContact CD1-CG1 4.1Å; L243-V251 HydrophobicContact CD1-CG2 4.36Å; L243-V251 PolarHBondContact O-N 3.39Å
244Q98.7Very high98.3Very high15 Ų1545.4 Ų45.47%0.0722%0.224CC..THydrogen-bonded Turntrans-86.7-2.7173.9-170.3170.1-27.600113.7I240 N242 V251 E252 R269 N270I240-Q244 VanDerWaalsContact O-CB 3.32Å; I240-Q244 WeakPolarHBondContact O-CB 3.44Å; I240-Q244 PolarHBondContact O-N 3.22Å; N242-Q244 VanDerWaalsContact C-N 3.29Å; N242-Q244 PolarHBondContact O-N 2.95Å; Q244-V251 VanDerWaalsContact CA-O 3.3Å; Q244-V251 WeakPolarHBondContact CA-O 3.35Å; Q244-V251 WeakPolarHBondContact CB-O 3.25Å; Q244-E252 HydrophobicContact CG-CB 4.41Å; Q244-E252 HydrophobicContact CG-CG 4.33Å; Q244-R269 PolarHBondContact NE2-O 2.81Å; Q244-N270 VanDerWaalsContact NE2-C 3.28Å
245K98.5Very high97.8Very high105 Ų10547 Ų4746%0.45723%0.23SC..SBendtrans-53.9145.4172.5-74.8177.7176.8168.70110.7R241 N242 E247 T248 R249R241-K245 PolarHBondContact O-N 2.92Å; N242-K245 VanDerWaalsContact O-CB 3.32Å; N242-K245 WeakPolarHBondContact O-CB 3.48Å; N242-K245 WeakPolarHBondContact O-CG 3.44Å; N242-K245 PolarHBondContact O-N 2.73Å; N242-K245 VanDerWaalsContact OD1-CE 3.28Å; N242-K245 WeakPolarHBondContact OD1-CE 3.27Å; N242-K245 PolarHBondContact OD1-NZ 2.83Å; K245-E247 PolarHBondContact O-N 3.47Å; K245-T248 PolarHBondContact O-N 3.44Å; K245-R249 PolarHBondContact O-N 3.13Å
246T97.7Very high97.1Very high128 Ų12845.7 Ų45.779%0.78524%0.236SC*.THydrogen-bonded Turntrans-58.5-37-174.2-630000112T248T246-T248 VanDerWaalsContact C-N 3.26Å; T246-T248 PolarHBondContact O-N 3.48Å
247E97.5Very high96.3Very high138 Ų13856.2 Ų56.265%0.64528%0.281SS*.THydrogen-bonded Turntrans-73.4-15.9179.8-5874.5-164.100113.1K245 K347K245-E247 PolarHBondContact O-N 3.47Å; E247-K347 PolarHBondContact O-NZ 3.36Å
248T98.3Very high95.5Very high28 Ų2859.7 Ų59.717%0.17232%0.317CS..THydrogen-bonded Turntrans-111.5-60-175.5-60.10000111.6L243 K245 T246 E250 N344L243-T248 HydrophobicContact CD2-CG2 4.35Å; K245-T248 PolarHBondContact O-N 3.44Å; T246-T248 VanDerWaalsContact C-N 3.26Å; T246-T248 PolarHBondContact O-N 3.48Å; T248-E250 VanDerWaalsContact C-N 3.26Å; T248-E250 HydrophobicContact CG2-CB 4.15Å; T248-E250 HydrophobicContact CG2-CG 3.66Å; T248-E250 PolarHBondContact O-N 3.25Å; T248-N344 PolarHBondContact O-ND2 2.9Å
249R98Very high94.9Very high118 Ų11860.7 Ų60.745%0.44532%0.319SS..  trans45.944.7177.2-157.7-178.7177.7-172.4-4.4114L243 K245 E252 F337 N340L243-R249 CarbonylContact O-C 3.59Å; L243-R249 WeakPolarHBondContact O-CA 3.45Å; L243-R249 PolarHBondContact O-N 3.37Å; K245-R249 PolarHBondContact O-N 3.13Å; R249-E252 IonicContact NE-OE2 2.86Å; R249-F337 HydrophobicContact CG-CD2 4.29Å; R249-F337 HydrophobicContact CG-CE2 4.26Å; R249-F337 WeakPolarHBondContact O-CD2 3.45Å; R249-N340 WeakPolarHBondContact O-CB 3.2Å; R249-N340 PolarHBondContact O-ND2 3.06Å
250E98.8Very high93.4Very high0 Ų067.5 Ų67.50%035%0.348CS..SBendtrans-82.5-28176.5-73.3178.8179.800111.4M136 R139 L243 T248 F337 M341 N344M136-E250 WeakPolarHBondContact CE-OE2 3.28Å; R139-E250 IonicContact CZ-OE1 2.72Å; R139-E250 IonicContact CZ-OE2 3.38Å; R139-E250 IonicContact NH1-OE1 3.99Å; R139-E250 IonicContact NH1-OE2 2.86Å; R139-E250 PolarHBondContact NH1-OE2 3.33Å; R139-E250 VanDerWaalsContact NH2-CD 3.31Å; R139-E250 IonicContact NH2-OE1 3.76Å; R139-E250 PolarHBondContact NH2-OE1 3.09Å; R139-E250 IonicContact NH2-OE2 2.77Å; R139-E250 PolarHBondContact NH2-OE2 3.17Å; L243-E250 HydrophobicContact CB-CB 4.36Å; L243-E250 HydrophobicContact CD2-CB 4.33Å; L243-E250 VanDerWaalsContact CD2-OE2 3.28Å; L243-E250 WeakPolarHBondContact CD2-OE2 3.13Å; L243-E250 PolarHBondContact O-N 3.31Å; T248-E250 VanDerWaalsContact C-N 3.26Å; T248-E250 HydrophobicContact CG2-CB 4.15Å; T248-E250 HydrophobicContact CG2-CG 3.66Å; T248-E250 PolarHBondContact O-N 3.25Å; E250-F337 PolarHBondContact O-N 2.96Å; E250-M341 HydrophobicContact CB-CE 3.86Å; E250-M341 HydrophobicContact CB-CG 3.71Å; E250-M341 HydrophobicContact CG-CB 4.36Å; E250-M341 HydrophobicContact CG-CG 3.57Å; E250-N344 VanDerWaalsContact CG-ND2 3.25Å; E250-N344 WeakPolarHBondContact CG-ND2 3.2Å; E250-N344 WeakPolarHBondContact OE1-CB 3.32Å; E250-N344 PolarHBondContact OE1-ND2 3.4Å
251V98.7Very high92.2Very high0 Ų068.4 Ų68.40%036%0.357CS..EExtended strand (participates in β ladder)trans-139162.3173.8-50.40000110.9F150 I240 L243 Q244 L334 T335 V336 M341F150-V251 HydrophobicContact CE2-CG1 3.79Å; F150-V251 HydrophobicContact CZ-CG1 3.7Å; I240-V251 HydrophobicContact CG2-CG2 4.26Å; L243-V251 HydrophobicContact CB-CB 4.38Å; L243-V251 HydrophobicContact CB-CG1 4.3Å; L243-V251 HydrophobicContact CB-CG2 3.45Å; L243-V251 VanDerWaalsContact CB-CG2 3.45Å; L243-V251 HydrophobicContact CD1-CG1 4.1Å; L243-V251 HydrophobicContact CD1-CG2 4.36Å; L243-V251 PolarHBondContact O-N 3.39Å; Q244-V251 VanDerWaalsContact CA-O 3.3Å; Q244-V251 WeakPolarHBondContact CA-O 3.35Å; Q244-V251 WeakPolarHBondContact CB-O 3.25Å; V251-L334 HydrophobicContact CB-CD1 4.22Å; V251-L334 HydrophobicContact CB-CD2 4.01Å; V251-L334 HydrophobicContact CB-CG 4.07Å; V251-L334 HydrophobicContact CG1-CD2 4.11Å; V251-L334 HydrophobicContact CG2-CD1 4.23Å; V251-L334 HydrophobicContact CG2-CD2 4.29Å; V251-T335 CarbonylContact C-O 3.54Å; V251-T335 WeakPolarHBondContact CA-O 3.41Å; V251-V336 HydrophobicContact CG1-CG2 4.48Å; V251-M341 HydrophobicContact CG1-CE 4.04Å
252E98.3Very high91.3Very high13 Ų1366.3 Ų66.36%0.06135%0.354CS..EExtended strand (participates in β ladder)trans-149.3132.6173.2-173.7175.499.400110.5Q244 R249 R269 T335 F337Q244-E252 HydrophobicContact CG-CB 4.41Å; Q244-E252 HydrophobicContact CG-CG 4.33Å; R249-E252 IonicContact NE-OE2 2.86Å; E252-R269 WeakPolarHBondContact OE1-CD 3.27Å; E252-R269 IonicContact OE1-CZ 2.77Å; E252-R269 IonicContact OE1-NE 3.84Å; E252-R269 IonicContact OE1-NH1 3Å; E252-R269 PolarHBondContact OE1-NH1 3.2Å; E252-R269 VanDerWaalsContact OE2-CD 3.28Å; E252-R269 WeakPolarHBondContact OE2-CD 3.42Å; E252-T335 PolarHBondContact N-O 3.29Å; E252-T335 WeakPolarHBondContact O-CB 3.44Å; E252-T335 PolarHBondContact O-N 3.07Å; E252-F337 HydrophobicContact CB-CE2 3.73Å; E252-F337 HydrophobicContact CB-CZ 4.38Å
253E97.9Very high90.6Very high18 Ų1870 Ų708%0.08438%0.384CS..  trans-56.7138.2169.1-67.9-170.3-179.800110.5I240 F255 P271 I272 G273 S274 I330I240-E253 HydrophobicContact CG2-CG 4.16Å; E253-F255 PolarHBondContact O-N 3.01Å; E253-P271 HydrophobicContact CG-CB 4.45Å; E253-I272 PolarHBondContact OE2-N 2.88Å; E253-G273 WeakPolarHBondContact OE2-CA 2.82Å; E253-G273 PolarHBondContact OE2-N 2.97Å; E253-S274 WeakPolarHBondContact OE1-CB 3.3Å; E253-S274 PolarHBondContact OE1-N 3.21Å; E253-S274 PolarHBondContact OE1-OG 2.89Å; E253-I330 HydrophobicContact CG-CG2 3.87Å
254A94.3Very high89.9Confident39 Ų3973.5 Ų73.532%0.32241%0.414SS..  trans-52.7130179.300000111.8R333A254-R333 HydrophobicContact CB-CB 3.88Å
255F87.3Confident89.5Confident62 Ų6276.3 Ų76.327%0.27243%0.428SS..  trans-111.8107.5-179.3-164.4-92.1000110E253 Q259 R269E253-F255 PolarHBondContact O-N 3.01Å; F255-Q259 HydrophobicContact CD1-CB 4.28Å; F255-Q259 HydrophobicContact CD2-CB 4.46Å; F255-Q259 HydrophobicContact CD2-CG 4.12Å; F255-Q259 HydrophobicContact CE1-CB 3.98Å; F255-Q259 HydrophobicContact CE1-CG 4.48Å; F255-Q259 WeakPolarHBondContact CE1-O 3.22Å; F255-Q259 HydrophobicContact CE2-CB 4.18Å; F255-Q259 HydrophobicContact CE2-CG 3.77Å; F255-Q259 HydrophobicContact CZ-CB 3.94Å; F255-Q259 HydrophobicContact CZ-CG 3.98Å; F255-Q259 WeakPolarHBondContact CZ-O 3.49Å; F255-R269 HydrophobicContact CD2-CG 4.26Å; F255-R269 HydrophobicContact CE2-CG 4.42Å
256A85.1Confident88.9Confident60 Ų6077.4 Ų77.450%0.49645%0.446SS..  trans-72.5154.1-172.600000112.8G258 Q259A256-G258 PolarHBondContact O-N 3.38Å; A256-G258 VanDerWaalsContact O-N 3.17Å; A256-Q259 HydrophobicContact CB-CB 4.38Å; A256-Q259 VanDerWaalsContact O-CB 3.26Å; A256-Q259 WeakPolarHBondContact O-CB 3.35Å; A256-Q259 PolarHBondContact O-N 2.97Å
257K81.9Confident88.5Confident221 Ų22178.3 Ų78.396%0.96144%0.441SS*.THydrogen-bonded Turntrans-59121.4171.4-172.6177.4-179.6-179.60109.3
258G82.2Confident88.2Confident73 Ų7375.2 Ų75.275%0.75343%0.425SS*.THydrogen-bonded Turntrans92.2-8.6-178.100000115.2A256 K260A256-G258 PolarHBondContact O-N 3.38Å; A256-G258 VanDerWaalsContact O-N 3.17Å; G258-K260 PolarHBondContact O-N 3.29Å
259Q86.4Confident87.9Confident72 Ų7279.3 Ų79.334%0.33644%0.438SS..  trans-63.6134.5172.9-173.7172.9-16.700110.1F255 A256F255-Q259 HydrophobicContact CD1-CB 4.28Å; F255-Q259 HydrophobicContact CD2-CB 4.46Å; F255-Q259 HydrophobicContact CD2-CG 4.12Å; F255-Q259 HydrophobicContact CE1-CB 3.98Å; F255-Q259 HydrophobicContact CE1-CG 4.48Å; F255-Q259 WeakPolarHBondContact CE1-O 3.22Å; F255-Q259 HydrophobicContact CE2-CB 4.18Å; F255-Q259 HydrophobicContact CE2-CG 3.77Å; F255-Q259 HydrophobicContact CZ-CB 3.94Å; F255-Q259 HydrophobicContact CZ-CG 3.98Å; F255-Q259 WeakPolarHBondContact CZ-O 3.49Å; A256-Q259 HydrophobicContact CB-CB 4.38Å; A256-Q259 VanDerWaalsContact O-CB 3.26Å; A256-Q259 WeakPolarHBondContact O-CB 3.35Å; A256-Q259 PolarHBondContact O-N 2.97Å
260K67Low87.9Confident189 Ų18976.2 Ų76.282%0.82243%0.43SS*.  trans-104.1118.8171.9-66.3-175.2-179.7-179.70108.6G258G258-K260 PolarHBondContact O-N 3.29Å
261G72.7Confident87.8Confident20 Ų2077 Ų7721%0.20644%0.435CS..SBendtrans-80.7-15.418000000114.4K268 N270G261-K268 WeakPolarHBondContact CA-O 3.41Å; G261-N270 PolarHBondContact O-ND2 3.24Å
262S79.9Confident87.7Confident33 Ų3380.8 Ų80.823%0.23146%0.455CS..  trans-160.5152.6173173.80000109.8A264 M265S262-A264 VanDerWaalsContact C-N 3.34Å; S262-A264 PolarHBondContact OG-N 3.12Å; S262-M265 WeakPolarHBondContact CB-O 3.32Å; S262-M265 PolarHBondContact OG-N 2.91Å
263S84.1Confident87.7Confident133 Ų13380.2 Ų80.293%0.9345%0.452SS*.SBendtrans-68.6-32.1173.353.30000112.8
264A84.4Confident87.7Confident79 Ų7979.3 Ų79.365%0.65345%0.448SS*.SBendtrans-115.8-13.2-172.300000114.4S262S262-A264 VanDerWaalsContact C-N 3.34Å; S262-A264 PolarHBondContact OG-N 3.12Å
265M89.9Confident87.9Confident73 Ų7382 Ų8236%0.3645%0.454SS..  trans-126.890.5-173.7-69.7174.5-86.500110.8S262 H267 K268S262-M265 WeakPolarHBondContact CB-O 3.32Å; S262-M265 PolarHBondContact OG-N 2.91Å; M265-H267 PolarHBondContact O-N 3.16Å; M265-H267 VanDerWaalsContact O-N 3.08Å; M265-K268 HydrophobicContact CB-CB 4.46Å; M265-K268 HydrophobicContact CB-CD 3.97Å; M265-K268 HydrophobicContact CB-CG 3.79Å; M265-K268 HydrophobicContact CE-CD 3.77Å; M265-K268 VanDerWaalsContact CE-CE 3.41Å; M265-K268 VanDerWaalsContact CE-NZ 3.3Å; M265-K268 WeakPolarHBondContact O-CB 3.42Å; M265-K268 PolarHBondContact O-N 2.64Å; M265-K268 VanDerWaalsContact O-N 3.09Å; M265-K268 HydrophobicContact SD-CD 3.96Å; M265-K268 WeakPolarHBondContact SD-CE 3.21Å; M265-K268 HydrophobicContact SD-CG 4.4Å
266P87Confident88.5Confident129 Ų12980.4 Ų80.484%0.83845%0.448SS*.THydrogen-bonded Turntrans-59.5-24-173.3-26.635.1000115.2K268P266-K268 VanDerWaalsContact C-N 3.33Å
267H88.9Confident89.1Confident147 Ų14777.5 Ų77.568%0.68142%0.424SS*.THydrogen-bonded Turntrans-79.4-12-179.264.6-90.1000113.8M265 R269M265-H267 PolarHBondContact O-N 3.16Å; M265-H267 VanDerWaalsContact O-N 3.08Å; H267-R269 PolarHBondContact O-N 3Å
268K91.7Very high89.9Confident72 Ų7267.1 Ų67.131%0.31338%0.38SS..  trans-68.3132.5-171.3-85.8-164.9160.6-171.70112.4G261 M265 P266G261-K268 WeakPolarHBondContact CA-O 3.41Å; M265-K268 HydrophobicContact CB-CB 4.46Å; M265-K268 HydrophobicContact CB-CD 3.97Å; M265-K268 HydrophobicContact CB-CG 3.79Å; M265-K268 HydrophobicContact CE-CD 3.77Å; M265-K268 VanDerWaalsContact CE-CE 3.41Å; M265-K268 VanDerWaalsContact CE-NZ 3.3Å; M265-K268 WeakPolarHBondContact O-CB 3.42Å; M265-K268 PolarHBondContact O-N 2.64Å; M265-K268 VanDerWaalsContact O-N 3.09Å; M265-K268 HydrophobicContact SD-CD 3.96Å; M265-K268 WeakPolarHBondContact SD-CE 3.21Å; M265-K268 HydrophobicContact SD-CG 4.4Å; P266-K268 VanDerWaalsContact C-N 3.33Å
269R92.4Very high90.7Very high115 Ų11565 Ų6543%0.43436%0.358SS..  trans-130.2100.2169-61-172.2174.4-128.4-6.8108.3Q244 E252 F255 H267Q244-R269 PolarHBondContact NE2-O 2.81Å; E252-R269 WeakPolarHBondContact OE1-CD 3.27Å; E252-R269 IonicContact OE1-CZ 2.77Å; E252-R269 IonicContact OE1-NE 3.84Å; E252-R269 IonicContact OE1-NH1 3Å; E252-R269 PolarHBondContact OE1-NH1 3.2Å; E252-R269 VanDerWaalsContact OE2-CD 3.28Å; E252-R269 WeakPolarHBondContact OE2-CD 3.42Å; F255-R269 HydrophobicContact CD2-CG 4.26Å; F255-R269 HydrophobicContact CE2-CG 4.42Å; H267-R269 PolarHBondContact O-N 3Å
270N96.5Very high91.3Very high53 Ų5362.2 Ų62.228%0.28335%0.345SS..  trans-105.5146.8-171.1-48.3-45.1000110.8Q244 G261 I272Q244-N270 VanDerWaalsContact NE2-C 3.28Å; G261-N270 PolarHBondContact O-ND2 3.24Å; N270-I272 HydrophobicContact CB-CG2 3.84Å; N270-I272 PolarHBondContact O-N 3.23Å
271P97.4Very high92.8Very high17 Ų1753.2 Ų53.211%0.1131%0.306CS..  trans-77.155.2175.333.8-37.1000111.8R241 E253 G273 S274 E275R241-P271 HydrophobicContact CB-CG 4.22Å; R241-P271 HydrophobicContact CG-CB 3.91Å; R241-P271 HydrophobicContact CG-CG 3.76Å; E253-P271 HydrophobicContact CG-CB 4.45Å; P271-G273 PolarHBondContact O-N 3.33Å; P271-S274 PolarHBondContact O-N 2.55Å; P271-E275 WeakPolarHBondContact O-CG 3.49Å; P271-E275 PolarHBondContact O-N 2.95Å
272I96.9Very high94.1Very high78 Ų7859 Ų5940%0.432%0.321SS..Hα-helixtrans-64-27.5-17361.5175000112.7E253 N270 N276E253-I272 PolarHBondContact OE2-N 2.88Å; N270-I272 HydrophobicContact CB-CG2 3.84Å; N270-I272 PolarHBondContact O-N 3.23Å; I272-N276 VanDerWaalsContact O-CB 3.25Å; I272-N276 WeakPolarHBondContact O-CB 3.14Å; I272-N276 PolarHBondContact O-N 3.49Å
273G97.8Very high94.9Very high1 Ų161 Ų611%0.0133%0.332CS..Hα-helixtrans-64.3-55174.600000110.7E253 P271 E275 N276 I277 I330E253-G273 WeakPolarHBondContact OE2-CA 2.82Å; E253-G273 PolarHBondContact OE2-N 2.97Å; P271-G273 PolarHBondContact O-N 3.33Å; G273-E275 PolarHBondContact O-N 3.04Å; G273-N276 WeakPolarHBondContact O-CA 3.05Å; G273-N276 WeakPolarHBondContact O-CB 3.26Å; G273-N276 PolarHBondContact O-N 3.41Å; G273-N276 VanDerWaalsContact O-N 3.1Å; G273-I277 WeakPolarHBondContact O-CG1 3.5Å; G273-I277 PolarHBondContact O-N 3.3Å; G273-I330 VanDerWaalsContact CA-CD1 3.45Å
274S98.7Very high95.6Very high0 Ų054.7 Ų54.70%029%0.288CS..Hα-helixtrans-65.3-36.1-179.6-62.40000112.3A237 I240 E253 P271 T278A237-S274 WeakPolarHBondContact CB-O 3.48Å; A237-S274 WeakPolarHBondContact O-CB 3.37Å; I240-S274 WeakPolarHBondContact CG2-OG 3.38Å; E253-S274 WeakPolarHBondContact OE1-CB 3.3Å; E253-S274 PolarHBondContact OE1-N 3.21Å; E253-S274 PolarHBondContact OE1-OG 2.89Å; P271-S274 PolarHBondContact O-N 2.55Å; S274-T278 WeakPolarHBondContact O-CB 3.37Å; S274-T278 PolarHBondContact O-N 3.09Å; S274-T278 PolarHBondContact O-OG1 2.99Å
275E98.7Very high96.3Very high95 Ų9554.2 Ų54.244%0.44427%0.269SS..Hα-helixtrans-63.7-40.3170.2-73.1176.9160.900112.2R241 P271 G273 T278 G279R241-E275 HydrophobicContact CG-CG 4.28Å; P271-E275 WeakPolarHBondContact O-CG 3.49Å; P271-E275 PolarHBondContact O-N 2.95Å; G273-E275 PolarHBondContact O-N 3.04Å; E275-T278 WeakPolarHBondContact O-CB 3.32Å; E275-T278 PolarHBondContact O-N 3.08Å; E275-G279 PolarHBondContact O-N 2.59Å; E275-G279 VanDerWaalsContact O-N 3.13Å
276N98.5Very high96.7Very high28 Ų2853 Ų5315%0.1528%0.275CS..Hα-helixtrans-65-46.3175.3175-112.8000111.8I272 G273 T278 G279 I280 Y322 R326I272-N276 VanDerWaalsContact O-CB 3.25Å; I272-N276 WeakPolarHBondContact O-CB 3.14Å; I272-N276 PolarHBondContact O-N 3.49Å; G273-N276 WeakPolarHBondContact O-CA 3.05Å; G273-N276 WeakPolarHBondContact O-CB 3.26Å; G273-N276 PolarHBondContact O-N 3.41Å; G273-N276 VanDerWaalsContact O-N 3.1Å; N276-T278 VanDerWaalsContact C-N 3.29Å; N276-T278 PolarHBondContact O-N 3.02Å; N276-G279 WeakPolarHBondContact O-CA 3.32Å; N276-G279 PolarHBondContact O-N 2.73Å; N276-I280 WeakPolarHBondContact O-CG1 3.41Å; N276-I280 PolarHBondContact O-N 3.21Å; N276-Y322 VanDerWaalsContact OD1-CE1 3.26Å; N276-Y322 WeakPolarHBondContact OD1-CE1 3.16Å; N276-Y322 PolarHBondContact OD1-OH 3.25Å; N276-R326 PolarHBondContact OD1-NE 3.04Å
277I98.7Very high97.3Very high0 Ų048.7 Ų48.70%024%0.242CC..Hα-helixtrans-57.2-44.5175-63.2-53.9000110.8L233 A237 G273 G279 I280 S281 A323 R326 F327L233-I277 HydrophobicContact CB-CG2 3.76Å; A237-I277 HydrophobicContact CB-CB 4.18Å; A237-I277 HydrophobicContact CB-CG2 4.13Å; G273-I277 WeakPolarHBondContact O-CG1 3.5Å; G273-I277 PolarHBondContact O-N 3.3Å; I277-G279 VanDerWaalsContact C-N 3.26Å; I277-G279 PolarHBondContact O-N 3.34Å; I277-I280 PolarHBondContact O-N 3.46Å; I277-S281 PolarHBondContact O-N 3.44Å; I277-S281 PolarHBondContact O-OG 3.48Å; I277-A323 HydrophobicContact CD1-CB 3.87Å; I277-A323 WeakPolarHBondContact CD1-O 3.5Å; I277-R326 HydrophobicContact CD1-CB 4.31Å; I277-R326 HydrophobicContact CD1-CG 4.4Å; I277-F327 HydrophobicContact CB-CD2 4.42Å; I277-F327 HydrophobicContact CD1-CB 4.1Å; I277-F327 HydrophobicContact CG1-CB 4.05Å; I277-F327 HydrophobicContact CG1-CD2 3.75Å; I277-F327 HydrophobicContact CG1-CG 4.21Å; I277-F327 HydrophobicContact CG2-CD2 4.44Å
278T98.9Very high97.8Very high3 Ų344 Ų442%0.01822%0.222CC..Hα-helixtrans-54.6-42.3174.9-58.40000111.8E234 R241 S274 E275 N276 R282E234-T278 HydrophobicContact CG-CG2 4.07Å; R241-T278 PolarHBondContact NH1-OG1 3.47Å; S274-T278 WeakPolarHBondContact O-CB 3.37Å; S274-T278 PolarHBondContact O-N 3.09Å; S274-T278 PolarHBondContact O-OG1 2.99Å; E275-T278 WeakPolarHBondContact O-CB 3.32Å; E275-T278 PolarHBondContact O-N 3.08Å; N276-T278 VanDerWaalsContact C-N 3.29Å; N276-T278 PolarHBondContact O-N 3.02Å; T278-R282 VanDerWaalsContact CG2-NH2 3.33Å; T278-R282 WeakPolarHBondContact O-CD 3.24Å; T278-R282 WeakPolarHBondContact O-CG 3.45Å
279G98.7Very high98.1Very high29 Ų2944.6 Ų44.630%0.29923%0.232SC..Hα-helixtrans-67-47176.700000113.3E275 N276 I277 S281 R282 V283E275-G279 PolarHBondContact O-N 2.59Å; E275-G279 VanDerWaalsContact O-N 3.13Å; N276-G279 WeakPolarHBondContact O-CA 3.32Å; N276-G279 PolarHBondContact O-N 2.73Å; I277-G279 VanDerWaalsContact C-N 3.26Å; I277-G279 PolarHBondContact O-N 3.34Å; G279-S281 VanDerWaalsContact C-N 3.34Å; G279-S281 PolarHBondContact O-N 3.07Å; G279-R282 WeakPolarHBondContact O-CB 3.42Å; G279-R282 PolarHBondContact O-N 3.15Å; G279-V283 PolarHBondContact O-N 3.42Å
280I98.5Very high98.4Very high12 Ų1241.4 Ų41.46%0.06223%0.225CC..Hα-helixtrans-60.7-43.4179.1-65.2-62.5000111.2Y5 N276 I277 R282 V283 I284 A319 Y322 A323Y5-I280 HydrophobicContact CD2-CD1 3.83Å; Y5-I280 HydrophobicContact CE2-CD1 4.1Å; Y5-I280 HydrophobicContact CG-CD1 4.09Å; N276-I280 WeakPolarHBondContact O-CG1 3.41Å; N276-I280 PolarHBondContact O-N 3.21Å; I277-I280 PolarHBondContact O-N 3.46Å; I280-R282 PolarHBondContact O-N 2.98Å; I280-V283 PolarHBondContact O-N 3.4Å; I280-V283 VanDerWaalsContact O-N 3.11Å; I280-I284 HydrophobicContact CG2-CD1 3.88Å; I280-I284 HydrophobicContact CG2-CG1 4.41Å; I280-I284 PolarHBondContact O-N 2.88Å; I280-A319 HydrophobicContact CG2-CB 3.89Å; I280-Y322 HydrophobicContact CG1-CD1 4.41Å; I280-Y322 HydrophobicContact CG1-CE1 4.16Å; I280-A323 HydrophobicContact CG2-CB 4.1Å
281S98.8Very high98.5Very high0 Ų038.9 Ų38.90%021%0.212CC..Hα-helixtrans-59.9-32.4178.3-58.70000113.4A230 I277 G279 R285A230-S281 VanDerWaalsContact O-CB 3.26Å; A230-S281 WeakPolarHBondContact O-CB 3.46Å; A230-S281 PolarHBondContact O-OG 3.4Å; I277-S281 PolarHBondContact O-N 3.44Å; I277-S281 PolarHBondContact O-OG 3.48Å; G279-S281 VanDerWaalsContact C-N 3.34Å; G279-S281 PolarHBondContact O-N 3.07Å; S281-R285 PolarHBondContact O-N 3.39Å; S281-R285 VanDerWaalsContact O-N 3.08Å; S281-R285 PolarHBondContact O-NH1 3.29Å
282R98.8Very high98.6Very high142 Ų14244.3 Ų44.354%0.53623%0.231SC..Hα-helixtrans-69.2-41.2175.7-66.4161.4-175.2-178.6-3.9112.1E234 T278 G279 I280 R285 G286E234-R282 IonicContact OE1-NE 3.27Å; T278-R282 VanDerWaalsContact CG2-NH2 3.33Å; T278-R282 WeakPolarHBondContact O-CD 3.24Å; T278-R282 WeakPolarHBondContact O-CG 3.45Å; G279-R282 WeakPolarHBondContact O-CB 3.42Å; G279-R282 PolarHBondContact O-N 3.15Å; I280-R282 PolarHBondContact O-N 2.98Å; R282-R285 VanDerWaalsContact CG-NH2 3.33Å; R282-R285 PolarHBondContact O-N 2.9Å; R282-G286 PolarHBondContact O-N 3.29Å; R282-G286 VanDerWaalsContact O-N 3.09Å
283V98.6Very high98.7Very high74 Ų7447.3 Ų47.345%0.44824%0.243SC..Hα-helixtrans-62.7-48.3176.6177.10000109.8G279 I280 R285 G286 Y287G279-V283 PolarHBondContact O-N 3.42Å; I280-V283 PolarHBondContact O-N 3.4Å; I280-V283 VanDerWaalsContact O-N 3.11Å; V283-R285 VanDerWaalsContact C-N 3.34Å; V283-R285 PolarHBondContact O-N 3.32Å; V283-G286 PolarHBondContact O-N 2.85Å; V283-Y287 HydrophobicContact CG1-CE2 3.99Å; V283-Y287 WeakPolarHBondContact O-CD2 3.27Å
284I98.7Very high98.7Very high1 Ų147.8 Ų47.81%0.00525%0.245CC..Hα-helixtrans-58.3-45.7178.4-65.5170.5000111.2A227 A230 I280 G286 Y287 V316 A319 L320A227-I284 HydrophobicContact CB-CG2 3.93Å; A230-I284 HydrophobicContact CB-CB 4.14Å; A230-I284 HydrophobicContact CB-CD1 3.72Å; A230-I284 HydrophobicContact CB-CG2 4.05Å; I280-I284 HydrophobicContact CG2-CD1 3.88Å; I280-I284 HydrophobicContact CG2-CG1 4.41Å; I280-I284 PolarHBondContact O-N 2.88Å; I284-G286 VanDerWaalsContact C-N 3.26Å; I284-G286 PolarHBondContact O-N 2.87Å; I284-Y287 PolarHBondContact O-N 3.03Å; I284-V316 HydrophobicContact CG2-CG1 4Å; I284-A319 HydrophobicContact CD1-CB 3.96Å; I284-A319 HydrophobicContact CG1-CB 4Å; I284-L320 HydrophobicContact CD1-CB 4.15Å; I284-L320 HydrophobicContact CD1-CD1 4.46Å
285R98.7Very high98.7Very high70 Ų7050.6 Ų50.626%0.26426%0.262SS..Hα-helixtrans-62.2-31.4176-79.7-165.1-59.6-80.3-0.6113.7A227 T231 E234 S281 R282 V283 Y287 I288A227-R285 HydrophobicContact CB-CG 4.18Å; T231-R285 VanDerWaalsContact OG1-CD 3.3Å; T231-R285 WeakPolarHBondContact OG1-CD 3.22Å; T231-R285 PolarHBondContact OG1-NH1 2.87Å; T231-R285 VanDerWaalsContact OG1-NH1 3.08Å; E234-R285 IonicContact OE1-NH2 3.63Å; E234-R285 IonicContact OE2-CZ 2.55Å; E234-R285 IonicContact OE2-NH1 3.56Å; E234-R285 PolarHBondContact OE2-NH1 2.9Å; E234-R285 IonicContact OE2-NH2 2.95Å; E234-R285 PolarHBondContact OE2-NH2 3.24Å; S281-R285 PolarHBondContact O-N 3.39Å; S281-R285 VanDerWaalsContact O-N 3.08Å; S281-R285 PolarHBondContact O-NH1 3.29Å; R282-R285 VanDerWaalsContact CG-NH2 3.33Å; R282-R285 PolarHBondContact O-N 2.9Å; V283-R285 VanDerWaalsContact C-N 3.34Å; V283-R285 PolarHBondContact O-N 3.32Å; R285-Y287 PolarHBondContact O-N 3Å; R285-I288 HydrophobicContact CB-CD1 4.36Å; R285-I288 HydrophobicContact CG-CD1 4.29Å; R285-I288 WeakPolarHBondContact O-CB 3.34Å; R285-I288 WeakPolarHBondContact O-CG1 3.28Å; R285-I288 PolarHBondContact O-N 3.18Å; R285-I288 VanDerWaalsContact O-N 3.1Å
286G98.6Very high98.7Very high46 Ų4650.6 Ų50.647%0.47427%0.271SS..Hα-helixtrans-58.2-31.6176.100000112.9R282 V283 I284 I288R282-G286 PolarHBondContact O-N 3.29Å; R282-G286 VanDerWaalsContact O-N 3.09Å; V283-G286 PolarHBondContact O-N 2.85Å; I284-G286 VanDerWaalsContact C-N 3.26Å; I284-G286 PolarHBondContact O-N 2.87Å; G286-I288 VanDerWaalsContact C-N 3.28Å; G286-I288 PolarHBondContact O-N 3.05Å
287Y98.6Very high98.7Very high39 Ų3950.9 Ų50.915%0.15327%0.272CS..Hα-helixtrans-74.2-11.5178.1-69.7-61.5000114.5V283 I284 R285 T289 T290 A291 I311 M312 D315 V316V283-Y287 HydrophobicContact CG1-CE2 3.99Å; V283-Y287 WeakPolarHBondContact O-CD2 3.27Å; I284-Y287 PolarHBondContact O-N 3.03Å; R285-Y287 PolarHBondContact O-N 3Å; Y287-T289 VanDerWaalsContact C-N 3.34Å; Y287-T289 PolarHBondContact O-N 3.19Å; Y287-T290 PolarHBondContact O-N 3.02Å; Y287-A291 WeakPolarHBondContact O-CB 3.35Å; Y287-A291 PolarHBondContact O-N 2.9Å; Y287-I311 HydrophobicContact CE1-CG2 4.2Å; Y287-M312 HydrophobicContact CD1-CB 3.37Å; Y287-M312 HydrophobicContact CE1-CB 3.74Å; Y287-M312 HydrophobicContact CG-CB 3.88Å; Y287-D315 HydrophobicContact CE2-CB 3.8Å; Y287-D315 PolarHBondContact OH-OD2 3.35Å; Y287-V316 HydrophobicContact CD2-CG2 3.29Å; Y287-V316 HydrophobicContact CE2-CG2 4.05Å; Y287-V316 HydrophobicContact CG-CG2 3.74Å
288I98.7Very high98.7Very high50 Ų5060.1 Ų60.126%0.25631%0.307SS..Hα-helixtrans-58.7-48.3175.3-63.8171.5000110.1A227 R285 G286 T290 A291 Y292A227-I288 HydrophobicContact CB-CD1 3.58Å; A227-I288 HydrophobicContact CB-CG1 3.64Å; R285-I288 HydrophobicContact CB-CD1 4.36Å; R285-I288 HydrophobicContact CG-CD1 4.29Å; R285-I288 WeakPolarHBondContact O-CB 3.34Å; R285-I288 WeakPolarHBondContact O-CG1 3.28Å; R285-I288 PolarHBondContact O-N 3.18Å; R285-I288 VanDerWaalsContact O-N 3.1Å; G286-I288 VanDerWaalsContact C-N 3.28Å; G286-I288 PolarHBondContact O-N 3.05Å; I288-T290 PolarHBondContact O-N 2.99Å; I288-A291 PolarHBondContact O-N 3.34Å; I288-Y292 HydrophobicContact CG2-CD2 3.88Å; I288-Y292 HydrophobicContact CG2-CE2 3.82Å; I288-Y292 WeakPolarHBondContact O-CD2 3.4Å; I288-Y292 PolarHBondContact O-N 3.12Å
289T98.7Very high98.7Very high84 Ų8468.1 Ų68.152%0.51534%0.344SS..Hα-helixtrans-60.2-48.7-179.2-60.20000110.8Y287 A291 Y292 E293Y287-T289 VanDerWaalsContact C-N 3.34Å; Y287-T289 PolarHBondContact O-N 3.19Å; T289-A291 VanDerWaalsContact C-N 3.32Å; T289-A291 PolarHBondContact O-N 3.22Å; T289-Y292 PolarHBondContact O-N 3.39Å; T289-E293 HydrophobicContact CG2-CG 4.38Å; T289-E293 WeakPolarHBondContact CG2-OE1 3.49Å; T289-E293 WeakPolarHBondContact O-CB 3.46Å; T289-E293 WeakPolarHBondContact O-CG 3.23Å; T289-E293 PolarHBondContact O-N 2.93Å
290T98.8Very high98.7Very high47 Ų4771.2 Ų71.229%0.28835%0.351SS..Hα-helixtrans-56.6-44.4176.4-54.10000112.1Y287 I288 Y292 E293 N294 A308 M312Y287-T290 PolarHBondContact O-N 3.02Å; I288-T290 PolarHBondContact O-N 2.99Å; T290-Y292 PolarHBondContact O-N 3.36Å; T290-E293 PolarHBondContact O-N 3.48Å; T290-N294 PolarHBondContact O-N 3.15Å; T290-N294 PolarHBondContact O-OD1 2.91Å; T290-A308 HydrophobicContact CG2-CB 3.74Å; T290-M312 HydrophobicContact CG2-SD 4.02Å
291A98.8Very high98.7Very high1 Ų172.8 Ų72.81%0.00836%0.356CS..Hα-helixtrans-67-36.2-179.800000112.7I223 Y287 I288 T289 N294 M312I223-A291 HydrophobicContact CB-CB 3.73Å; I223-A291 HydrophobicContact CG1-CB 3.81Å; I223-A291 HydrophobicContact CG2-CB 3.89Å; Y287-A291 WeakPolarHBondContact O-CB 3.35Å; Y287-A291 PolarHBondContact O-N 2.9Å; I288-A291 PolarHBondContact O-N 3.34Å; T289-A291 VanDerWaalsContact C-N 3.32Å; T289-A291 PolarHBondContact O-N 3.22Å; A291-N294 PolarHBondContact O-N 3.48Å; A291-M312 HydrophobicContact CB-CE 4.4Å; A291-M312 HydrophobicContact CB-SD 4Å
292Y98.8Very high98.7Very high131 Ų13174.5 Ų74.551%0.51437%0.365SS..Hα-helixtrans-72.6-35.2176.9-83.9-125.6000111.9A220 A224 I288 T289 T290 N294 V295A220-Y292 HydrophobicContact CB-CD2 3.83Å; A220-Y292 HydrophobicContact CB-CE2 3.99Å; A220-Y292 HydrophobicContact CB-CG 4.46Å; A224-Y292 HydrophobicContact CB-CE2 4.18Å; I288-Y292 HydrophobicContact CG2-CD2 3.88Å; I288-Y292 HydrophobicContact CG2-CE2 3.82Å; I288-Y292 WeakPolarHBondContact O-CD2 3.4Å; I288-Y292 PolarHBondContact O-N 3.12Å; T289-Y292 PolarHBondContact O-N 3.39Å; T290-Y292 PolarHBondContact O-N 3.36Å; Y292-N294 PolarHBondContact O-N 3.5Å; Y292-V295 WeakPolarHBondContact O-CB 3.45Å; Y292-V295 WeakPolarHBondContact O-CG2 3.33Å; Y292-V295 PolarHBondContact O-N 2.93Å
293E98.8Very high98.6Very high140 Ų14073.1 Ų73.165%0.65437%0.367SS*.Hα-helixtrans-69.9-18.3175-73.3178.4178.500113.1T289 T290 V295 P296T289-E293 HydrophobicContact CG2-CG 4.38Å; T289-E293 WeakPolarHBondContact CG2-OE1 3.49Å; T289-E293 WeakPolarHBondContact O-CB 3.46Å; T289-E293 WeakPolarHBondContact O-CG 3.23Å; T289-E293 PolarHBondContact O-N 2.93Å; T290-E293 PolarHBondContact O-N 3.48Å; E293-V295 VanDerWaalsContact C-N 3.31Å; E293-P296 WeakPolarHBondContact O-CD 3.45Å
294N98.8Very high98.6Very high12 Ų1272.6 Ų72.66%0.06437%0.367CS..THydrogen-bonded Turntrans-77.1-11.2172.3-77.90.3000114.1R216 T290 A291 Y292 L297 H305 M312R216-N294 HydrophobicContact CB-CB 4.44Å; R216-N294 VanDerWaalsContact CB-O 3.27Å; R216-N294 WeakPolarHBondContact CB-O 3.47Å; R216-N294 HydrophobicContact CG-CB 4.23Å; T290-N294 PolarHBondContact O-N 3.15Å; T290-N294 PolarHBondContact O-OD1 2.91Å; A291-N294 PolarHBondContact O-N 3.48Å; Y292-N294 PolarHBondContact O-N 3.5Å; N294-L297 WeakPolarHBondContact O-CD2 3.47Å; N294-L297 WeakPolarHBondContact O-CG 3.47Å; N294-H305 HydrophobicContact CB-CB 3.95Å; N294-M312 WeakPolarHBondContact ND2-CE 3.48Å
295V98.9Very high98.6Very high58 Ų5872.7 Ų72.735%0.35237%0.367SS..SBendtrans-70.8-48.4-176-179.10000113.8D217 A220 Y292 E293 L297D217-V295 HydrophobicContact CB-CG1 4.36Å; A220-V295 HydrophobicContact CB-CG2 3.78Å; Y292-V295 WeakPolarHBondContact O-CB 3.45Å; Y292-V295 WeakPolarHBondContact O-CG2 3.33Å; Y292-V295 PolarHBondContact O-N 2.93Å; E293-V295 VanDerWaalsContact C-N 3.31Å; V295-L297 PolarHBondContact O-N 3.2Å
296P98.7Very high98.6Very high96 Ų9670.4 Ų70.462%0.62336%0.362SS*.  trans-79.260.5-174.434.6-38.9000113.2E293E293-P296 WeakPolarHBondContact O-CD 3.45Å
297L98.8Very high98.6Very high34 Ų3472.1 Ų72.118%0.17837%0.367CS..  trans-65.9150.2172.6-58.1-179.2000111.3R216 N294 V295 D302 H305R216-L297 HydrophobicContact CG-CD1 4.49Å; N294-L297 WeakPolarHBondContact O-CD2 3.47Å; N294-L297 WeakPolarHBondContact O-CG 3.47Å; V295-L297 PolarHBondContact O-N 3.2Å; L297-D302 WeakPolarHBondContact CA-OD2 3.06Å; L297-H305 WeakPolarHBondContact CD1-ND1 3.3Å; L297-H305 HydrophobicContact CD2-CB 4.23Å
298W98.5Very high98.6Very high194 Ų19471.2 Ų71.274%0.73537%0.367SS*.  trans-82.4129.7-178.1-63.52.1000111.9E300 R301 D302W298-E300 PolarHBondContact O-N 3.01Å; W298-R301 CarbonylContact O-C 2.95Å; W298-R301 VanDerWaalsContact O-CA 3.26Å; W298-R301 WeakPolarHBondContact O-CA 3.48Å; W298-R301 PolarHBondContact O-N 3.16Å; W298-R301 VanDerWaalsContact O-O 3.14Å; W298-D302 PolarHBondContact N-OD2 2.81Å
299H98.3Very high98.6Very high170 Ų17069.3 Ų69.379%0.78736%0.357SS*.THydrogen-bonded Turntrans51.7-134.3176-54-68.5000112.7R301H299-R301 PolarHBondContact O-N 3.31Å
300E98.4Very high98.6Very high95 Ų9570.7 Ų70.744%0.44435%0.353SS..THydrogen-bonded Turntrans-77.3-6.9177.9-68.468.3-133.200113.9V184 T211 Q212 W298V184-E300 HydrophobicContact CB-CB 4.49Å; V184-E300 HydrophobicContact CB-CG 4.11Å; V184-E300 HydrophobicContact CG1-CB 4.27Å; V184-E300 HydrophobicContact CG1-CG 4.2Å; T211-E300 WeakPolarHBondContact CB-O 3.48Å; T211-E300 PolarHBondContact OG1-O 3.15Å; Q212-E300 WeakPolarHBondContact CB-O 3.49Å; Q212-E300 PolarHBondContact N-O 3.09Å; W298-E300 PolarHBondContact O-N 3.01Å
301R98.6Very high98.5Very high44 Ų4473 Ų7317%0.16636%0.362CS..  trans168160155.464.6130.251.7114.1-15.5112.3T95 Q212 T213 W298 H299T95-R301 VanDerWaalsContact CG2-NH2 3.28Å; T95-R301 PolarHBondContact OG1-NH1 3.06Å; T95-R301 PolarHBondContact OG1-NH2 3.21Å; Q212-R301 HydrophobicContact CB-CB 4.26Å; Q212-R301 HydrophobicContact CB-CG 3.69Å; Q212-R301 HydrophobicContact CG-CG 4.17Å; T213-R301 HydrophobicContact CG2-CB 3.82Å; T213-R301 HydrophobicContact CG2-CG 4.36Å; W298-R301 CarbonylContact O-C 2.95Å; W298-R301 VanDerWaalsContact O-CA 3.26Å; W298-R301 WeakPolarHBondContact O-CA 3.48Å; W298-R301 PolarHBondContact O-N 3.16Å; W298-R301 VanDerWaalsContact O-O 3.14Å; H299-R301 PolarHBondContact O-N 3.31Å
302D98.7Very high98.5Very high36 Ų3673 Ų7319%0.19336%0.362CS..  trans-122.4172142.669.382.5000109.3L297 W298 S304 H305L297-D302 WeakPolarHBondContact CA-OD2 3.06Å; W298-D302 PolarHBondContact N-OD2 2.81Å; D302-S304 WeakPolarHBondContact OD1-CB 3.28Å; D302-S304 PolarHBondContact OD1-N 3.27Å; D302-S304 PolarHBondContact OD1-OG 2.92Å; D302-H305 PolarHBondContact O-CE1 3.17Å; D302-H305 PolarHBondContact O-ND1 2.91Å
303I98.2Very high98.5Very high114 Ų11466.9 Ų66.959%0.58534%0.338SS*.SBendtrans-101.88.9-172.7-155.7167.1000113.4H305 S306I303-H305 PolarHBondContact O-N 3.26Å; I303-S306 WeakPolarHBondContact O-CB 3.17Å; I303-S306 PolarHBondContact O-N 3.2Å
304S98.7Very high98.5Very high63 Ų6361.3 Ų61.344%0.44131%0.314SS..Hα-helixtrans-55.1-40.3-177.259.60000112.5D302 S306 S307D302-S304 WeakPolarHBondContact OD1-CB 3.28Å; D302-S304 PolarHBondContact OD1-N 3.27Å; D302-S304 PolarHBondContact OD1-OG 2.92Å; S304-S306 PolarHBondContact O-N 3.38Å; S304-S307 PolarHBondContact O-N 2.82Å; S304-S307 PolarHBondContact O-OG 2.94Å
305H98.7Very high98.4Very high3 Ų362 Ų621%0.01432%0.318CS..Hα-helixtrans-55.5-33.8177.165.2-92.5000113.5R216 N294 L297 D302 I303 S307 A308 E309R216-H305 HydrophobicContact CG-CB 4.15Å; R216-H305 PolarHBondContact NE-CD2 3.12Å; R216-H305 PolarHBondContact NH2-CD2 2.97Å; R216-H305 PolarHBondContact NH2-NE2 2.67Å; R216-H305 VanDerWaalsContact NH2-NE2 3.2Å; N294-H305 HydrophobicContact CB-CB 3.95Å; L297-H305 WeakPolarHBondContact CD1-ND1 3.3Å; L297-H305 HydrophobicContact CD2-CB 4.23Å; D302-H305 PolarHBondContact O-CE1 3.17Å; D302-H305 PolarHBondContact O-ND1 2.91Å; I303-H305 PolarHBondContact O-N 3.26Å; H305-S307 PolarHBondContact O-N 3.18Å; H305-A308 PolarHBondContact O-N 3.49Å; H305-E309 IonicContact CD2-OE1 3.74Å; H305-E309 PolarHBondContact CD2-OE1 3.33Å; H305-E309 IonicContact CD2-OE2 2.69Å; H305-E309 PolarHBondContact CD2-OE2 2.72Å; H305-E309 VanDerWaalsContact CD2-OE2 3.3Å; H305-E309 IonicContact CG-OE1 3.85Å; H305-E309 VanDerWaalsContact O-CB 3.31Å; H305-E309 WeakPolarHBondContact O-CB 3.46Å; H305-E309 VanDerWaalsContact O-CG 3.28Å; H305-E309 WeakPolarHBondContact O-CG 3.36Å; H305-E309 PolarHBondContact O-N 2.88Å
306S98.4Very high98.4Very high22 Ų2259.2 Ų59.215%0.15430%0.301CS..Hα-helixtrans-63.4-42.4-171.6-177.60000111.9I303 S304 A308 E309 R310I303-S306 WeakPolarHBondContact O-CB 3.17Å; I303-S306 PolarHBondContact O-N 3.2Å; S304-S306 PolarHBondContact O-N 3.38Å; S306-A308 VanDerWaalsContact C-N 3.35Å; S306-A308 PolarHBondContact O-N 3.42Å; S306-E309 PolarHBondContact O-N 2.91Å; S306-R310 VanDerWaalsContact O-CG 3.26Å; S306-R310 WeakPolarHBondContact O-CG 3.43Å; S306-R310 PolarHBondContact O-N 3.35Å
307S98.1Very high98.4Very high82 Ų8254.7 Ų54.757%0.57327%0.271SS*.Hα-helixtrans-65.3-39.2178.965.90000112.2S304 H305S304-S307 PolarHBondContact O-N 2.82Å; S304-S307 PolarHBondContact O-OG 2.94Å; H305-S307 PolarHBondContact O-N 3.18Å
308A98.6Very high98.4Very high19 Ų1953.5 Ų53.516%0.15727%0.265CS..Hα-helixtrans-69.5-44.4176.100000111.9T290 H305 S306 R310 I311 M312T290-A308 HydrophobicContact CG2-CB 3.74Å; H305-A308 PolarHBondContact O-N 3.49Å; S306-A308 VanDerWaalsContact C-N 3.35Å; S306-A308 PolarHBondContact O-N 3.42Å; A308-R310 VanDerWaalsContact C-N 3.33Å; A308-R310 PolarHBondContact O-N 3.29Å; A308-I311 PolarHBondContact O-N 3.41Å; A308-I311 VanDerWaalsContact O-N 3.07Å; A308-M312 WeakPolarHBondContact O-CG 3.05Å; A308-M312 PolarHBondContact O-N 2.92Å
309E98.6Very high98.4Very high11 Ų1144.3 Ų44.35%0.05123%0.231CC..Hα-helixtrans-61-37.6178.6-78171.1-166.800112.4R216 H305 S306 I311 M312 L313 P314R216-E309 WeakPolarHBondContact CG-OE1 3.41Å; R216-E309 IonicContact CZ-OE1 2.71Å; R216-E309 IonicContact CZ-OE2 3.11Å; R216-E309 IonicContact NE-OE1 2.99Å; R216-E309 PolarHBondContact NE-OE1 3Å; R216-E309 IonicContact NE-OE2 2.9Å; R216-E309 IonicContact NH2-OE1 3.8Å; R216-E309 IonicContact NH2-OE2 3.2Å; R216-E309 PolarHBondContact NH2-OE2 2.72Å; H305-E309 IonicContact CD2-OE1 3.74Å; H305-E309 PolarHBondContact CD2-OE1 3.33Å; H305-E309 IonicContact CD2-OE2 2.69Å; H305-E309 PolarHBondContact CD2-OE2 2.72Å; H305-E309 VanDerWaalsContact CD2-OE2 3.3Å; H305-E309 IonicContact CG-OE1 3.85Å; H305-E309 VanDerWaalsContact O-CB 3.31Å; H305-E309 WeakPolarHBondContact O-CB 3.46Å; H305-E309 VanDerWaalsContact O-CG 3.28Å; H305-E309 WeakPolarHBondContact O-CG 3.36Å; H305-E309 PolarHBondContact O-N 2.88Å; S306-E309 PolarHBondContact O-N 2.91Å; E309-I311 PolarHBondContact O-N 2.99Å; E309-M312 HydrophobicContact CB-CE 4.27Å; E309-M312 HydrophobicContact CG-CE 3.4Å; E309-M312 VanDerWaalsContact CG-CE 3.4Å; E309-L313 HydrophobicContact CB-CD1 3.77Å; E309-L313 HydrophobicContact CB-CG 4.24Å; E309-L313 HydrophobicContact CG-CD1 3.93Å; E309-L313 HydrophobicContact CG-CG 4.36Å; E309-L313 WeakPolarHBondContact O-CB 3.19Å; E309-L313 PolarHBondContact O-N 3.18Å; E309-P314 WeakPolarHBondContact O-CD 3.41Å
310R97.5Very high98.5Very high113 Ų11336.2 Ų36.243%0.42619%0.193SC..Hα-helixtrans-60.2-25.3174.1-75.2172.1-168-96.62.1113.6D69 S306 A308D69-R310 IonicContact OD2-CZ 2.67Å; D69-R310 IonicContact OD2-NH2 3.73Å; D69-R310 PolarHBondContact OD2-NH2 3.11Å; S306-R310 VanDerWaalsContact O-CG 3.26Å; S306-R310 WeakPolarHBondContact O-CG 3.43Å; S306-R310 PolarHBondContact O-N 3.35Å; A308-R310 VanDerWaalsContact C-N 3.33Å; A308-R310 PolarHBondContact O-N 3.29Å
311I98.3Very high98.5Very high96 Ų9631.7 Ų31.749%0.49217%0.172SC..Hα-helixtrans-92.2-58.5175.3-59.7172.8000109.4Y287 A308 E309 D315Y287-I311 HydrophobicContact CE1-CG2 4.2Å; A308-I311 PolarHBondContact O-N 3.41Å; A308-I311 VanDerWaalsContact O-N 3.07Å; E309-I311 PolarHBondContact O-N 2.99Å; I311-D315 WeakPolarHBondContact O-CB 3.1Å; I311-D315 VanDerWaalsContact O-CG 3.24Å; I311-D315 PolarHBondContact O-N 3.44Å; I311-D315 VanDerWaalsContact O-N 3.16Å
312M97.8Very high98.5Very high1 Ų130.6 Ų30.61%0.00517%0.168CC..Hα-helixtrans-72.1-37.2-165.673177.916700113.9I223 Y287 T290 A291 N294 A308 E309 D315 V316I223-M312 HydrophobicContact CG1-SD 4.48Å; Y287-M312 HydrophobicContact CD1-CB 3.37Å; Y287-M312 HydrophobicContact CE1-CB 3.74Å; Y287-M312 HydrophobicContact CG-CB 3.88Å; T290-M312 HydrophobicContact CG2-SD 4.02Å; A291-M312 HydrophobicContact CB-CE 4.4Å; A291-M312 HydrophobicContact CB-SD 4Å; N294-M312 WeakPolarHBondContact ND2-CE 3.48Å; A308-M312 WeakPolarHBondContact O-CG 3.05Å; A308-M312 PolarHBondContact O-N 2.92Å; E309-M312 HydrophobicContact CB-CE 4.27Å; E309-M312 HydrophobicContact CG-CE 3.4Å; E309-M312 VanDerWaalsContact CG-CE 3.4Å; M312-D315 PolarHBondContact O-N 2.68Å; M312-V316 VanDerWaalsContact O-CB 3.26Å; M312-V316 WeakPolarHBondContact O-CB 3.38Å; M312-V316 VanDerWaalsContact O-CG2 3.24Å; M312-V316 WeakPolarHBondContact O-CG2 3.43Å; M312-V316 PolarHBondContact O-N 2.82Å
313L98.5Very high98.5Very high2 Ų228.9 Ų28.91%0.0116%0.159CC..Hα-helixtrans-68.8-48.3-174.5-64.1172.4000111.8W14 L102 I106 Y222 I223 E309 T317W14-L313 HydrophobicContact CH2-CB 3.63Å; W14-L313 HydrophobicContact CZ2-CB 4.25Å; W14-L313 HydrophobicContact CZ3-CB 4.07Å; L102-L313 HydrophobicContact CD1-CD1 3.88Å; L102-L313 HydrophobicContact CD2-CD1 3.8Å; L102-L313 HydrophobicContact CG-CD1 4.25Å; I106-L313 HydrophobicContact CD1-CD1 4.36Å; I106-L313 HydrophobicContact CD1-CD2 4.49Å; Y222-L313 HydrophobicContact CD1-CD2 4.47Å; I223-L313 HydrophobicContact CD1-CD2 4.12Å; E309-L313 HydrophobicContact CB-CD1 3.77Å; E309-L313 HydrophobicContact CB-CG 4.24Å; E309-L313 HydrophobicContact CG-CD1 3.93Å; E309-L313 HydrophobicContact CG-CG 4.36Å; E309-L313 WeakPolarHBondContact O-CB 3.19Å; E309-L313 PolarHBondContact O-N 3.18Å; L313-T317 WeakPolarHBondContact O-CG2 3.28Å; L313-T317 PolarHBondContact O-N 3.49Å; L313-T317 PolarHBondContact O-OG1 2.85Å
314P98.5Very high98.5Very high22 Ų2223.5 Ų23.514%0.14313%0.131CC..Hα-helixtrans-60.5-46.7170.1-21.131.7000111.9W14 E309 V316 T317 I318W14-P314 HydrophobicContact CB-CB 4.03Å; W14-P314 HydrophobicContact CB-CG 4.34Å; W14-P314 HydrophobicContact CD2-CB 3.89Å; W14-P314 HydrophobicContact CD2-CG 3.84Å; W14-P314 HydrophobicContact CE3-CB 4.26Å; W14-P314 HydrophobicContact CE3-CG 3.67Å; W14-P314 HydrophobicContact CG-CB 3.77Å; W14-P314 HydrophobicContact CG-CG 4.14Å; W14-P314 HydrophobicContact CZ3-CG 4.25Å; E309-P314 WeakPolarHBondContact O-CD 3.41Å; P314-V316 PolarHBondContact O-N 3.35Å; P314-T317 PolarHBondContact O-OG1 2.89Å; P314-I318 HydrophobicContact CB-CD1 4.15Å; P314-I318 WeakPolarHBondContact O-CB 3.5Å; P314-I318 WeakPolarHBondContact O-CD1 3.39Å; P314-I318 WeakPolarHBondContact O-CG1 3.35Å; P314-I318 PolarHBondContact O-N 3.09Å
315D98.4Very high98.5Very high26 Ų2621 Ų2114%0.13911%0.113CC..Hα-helixtrans-62.9-46.3-174.3-82.95.8000112.8M1 Y287 I311 M312 A319M1-D315 WeakPolarHBondContact CA-OD1 3.48Å; M1-D315 WeakPolarHBondContact CB-OD1 3.41Å; M1-D315 HydrophobicContact CE-CB 3.56Å; M1-D315 WeakPolarHBondContact CE-O 3.28Å; M1-D315 PolarHBondContact N-OD1 3.43Å; Y287-D315 HydrophobicContact CE2-CB 3.8Å; Y287-D315 PolarHBondContact OH-OD2 3.35Å; I311-D315 WeakPolarHBondContact O-CB 3.1Å; I311-D315 VanDerWaalsContact O-CG 3.24Å; I311-D315 PolarHBondContact O-N 3.44Å; I311-D315 VanDerWaalsContact O-N 3.16Å; M312-D315 PolarHBondContact O-N 2.68Å; D315-A319 WeakPolarHBondContact O-CB 3.4Å; D315-A319 PolarHBondContact O-N 3.08Å
316V98.6Very high98.5Very high0 Ų024.4 Ų24.40%013%0.126CC..Hα-helixtrans-66.6-46.8-177.9169.40000111.2I223 L226 I284 Y287 M312 P314 A319 L320I223-V316 HydrophobicContact CD1-CB 4.08Å; I223-V316 HydrophobicContact CD1-CG1 3.99Å; I223-V316 HydrophobicContact CD1-CG2 4.1Å; L226-V316 HydrophobicContact CB-CG1 3.82Å; L226-V316 HydrophobicContact CD1-CG1 3.53Å; L226-V316 HydrophobicContact CG-CG1 4.3Å; I284-V316 HydrophobicContact CG2-CG1 4Å; Y287-V316 HydrophobicContact CD2-CG2 3.29Å; Y287-V316 HydrophobicContact CE2-CG2 4.05Å; Y287-V316 HydrophobicContact CG-CG2 3.74Å; M312-V316 VanDerWaalsContact O-CB 3.26Å; M312-V316 WeakPolarHBondContact O-CB 3.38Å; M312-V316 VanDerWaalsContact O-CG2 3.24Å; M312-V316 WeakPolarHBondContact O-CG2 3.43Å; M312-V316 PolarHBondContact O-N 2.82Å; P314-V316 PolarHBondContact O-N 3.35Å; V316-A319 PolarHBondContact O-N 2.99Å; V316-L320 VanDerWaalsContact O-CB 3.27Å; V316-L320 WeakPolarHBondContact O-CB 3.46Å; V316-L320 PolarHBondContact O-N 3.44Å
317T98.8Very high98.5Very high1 Ų123.3 Ų23.31%0.00612%0.118CC..Hα-helixtrans-69.8-42.5-176.9540000111.8W14 A109 I113 Y222 L226 L313 P314 L320 D321W14-T317 VanDerWaalsContact CE2-OG1 3.32Å; W14-T317 HydrophobicContact CZ2-CG2 4.15Å; W14-T317 WeakPolarHBondContact CZ2-OG1 3.49Å; W14-T317 PolarHBondContact NE1-OG1 3.29Å; A109-T317 HydrophobicContact CB-CG2 4.3Å; I113-T317 HydrophobicContact CD1-CG2 4.14Å; Y222-T317 HydrophobicContact CE1-CG2 4.22Å; Y222-T317 VanDerWaalsContact OH-CG2 3.31Å; Y222-T317 WeakPolarHBondContact OH-CG2 3.32Å; L226-T317 HydrophobicContact CD1-CG2 4.05Å; L313-T317 WeakPolarHBondContact O-CG2 3.28Å; L313-T317 PolarHBondContact O-N 3.49Å; L313-T317 PolarHBondContact O-OG1 2.85Å; P314-T317 PolarHBondContact O-OG1 2.89Å; T317-L320 PolarHBondContact O-N 3.46Å; T317-D321 WeakPolarHBondContact O-CB 3.39Å; T317-D321 PolarHBondContact O-N 3.36Å
318I98.8Very high98.6Very high9 Ų919.6 Ų19.65%0.0469%0.092CC..Hα-helixtrans-62.2-46.6174.3-65.8168.3000111M1 Y5 S6 M10 W14 P314 L320 Y322M1-I318 HydrophobicContact CB-CB 4.09Å; M1-I318 HydrophobicContact CB-CD1 4.03Å; M1-I318 HydrophobicContact CB-CG2 3.83Å; M1-I318 HydrophobicContact CG-CB 4.27Å; M1-I318 HydrophobicContact CG-CG2 3.7Å; Y5-I318 WeakPolarHBondContact O-CG2 3.37Å; S6-I318 WeakPolarHBondContact OG-CG2 3.22Å; M10-I318 HydrophobicContact CG-CB 4.3Å; M10-I318 HydrophobicContact CG-CG1 3.76Å; W14-I318 HydrophobicContact CG-CD1 4.49Å; P314-I318 HydrophobicContact CB-CD1 4.15Å; P314-I318 WeakPolarHBondContact O-CB 3.5Å; P314-I318 WeakPolarHBondContact O-CD1 3.39Å; P314-I318 WeakPolarHBondContact O-CG1 3.35Å; P314-I318 PolarHBondContact O-N 3.09Å; I318-L320 VanDerWaalsContact C-N 3.35Å; I318-L320 PolarHBondContact O-N 2.91Å; I318-Y322 WeakPolarHBondContact O-CB 3.42Å; I318-Y322 PolarHBondContact O-N 3.23Å
319A98.7Very high98.6Very high1 Ų122 Ų221%0.00810%0.102CC..Hα-helixtrans-64.7-38.9179.900000112.6M1 I280 I284 D315 V316 A323M1-A319 HydrophobicContact CE-CB 3.86Å; I280-A319 HydrophobicContact CG2-CB 3.89Å; I284-A319 HydrophobicContact CD1-CB 3.96Å; I284-A319 HydrophobicContact CG1-CB 4Å; D315-A319 WeakPolarHBondContact O-CB 3.4Å; D315-A319 PolarHBondContact O-N 3.08Å; V316-A319 PolarHBondContact O-N 2.99Å; A319-A323 VanDerWaalsContact O-CB 3.23Å; A319-A323 WeakPolarHBondContact O-CB 3.39Å; A319-A323 PolarHBondContact O-N 2.68Å
320L98.9Very high98.5Very high0 Ų022.2 Ų22.20%010%0.103CC..Hα-helixtrans-70.6-44.6179.5-176.462.6000111.8I113 L226 I229 A230 L233 I284 V316 T317 I318 Y322 A323 L324I113-L320 HydrophobicContact CD1-CD2 4.47Å; I113-L320 HydrophobicContact CG2-CD2 4.17Å; L226-L320 HydrophobicContact CB-CD2 3.94Å; L226-L320 HydrophobicContact CD1-CD2 4.32Å; L226-L320 HydrophobicContact CD2-CD2 3.73Å; L226-L320 HydrophobicContact CG-CD2 4.18Å; I229-L320 HydrophobicContact CB-CD1 4.37Å; I229-L320 HydrophobicContact CD1-CD2 4.47Å; I229-L320 HydrophobicContact CG2-CD1 3.87Å; I229-L320 HydrophobicContact CG2-CD2 4.44Å; A230-L320 HydrophobicContact CB-CD1 4.25Å; L233-L320 HydrophobicContact CD1-CD1 4.32Å; I284-L320 HydrophobicContact CD1-CB 4.15Å; I284-L320 HydrophobicContact CD1-CD1 4.46Å; V316-L320 VanDerWaalsContact O-CB 3.27Å; V316-L320 WeakPolarHBondContact O-CB 3.46Å; V316-L320 PolarHBondContact O-N 3.44Å; T317-L320 PolarHBondContact O-N 3.46Å; I318-L320 VanDerWaalsContact C-N 3.35Å; I318-L320 PolarHBondContact O-N 2.91Å; L320-Y322 VanDerWaalsContact C-N 3.35Å; L320-Y322 PolarHBondContact O-N 3.09Å; L320-A323 PolarHBondContact O-N 2.81Å; L320-A323 VanDerWaalsContact O-N 3.17Å; L320-L324 HydrophobicContact CD1-CD1 4.27Å; L320-L324 HydrophobicContact CD1-CG 4.25Å; L320-L324 HydrophobicContact CG-CD1 3.97Å; L320-L324 HydrophobicContact CG-CG 4.41Å; L320-L324 WeakPolarHBondContact O-CB 3.34Å; L320-L324 WeakPolarHBondContact O-CG 3.33Å; L320-L324 PolarHBondContact O-N 3.35Å
321D98.8Very high98.6Very high0 Ų016.8 Ų16.80%08%0.083CC..Hα-helixtrans-53-52.3171.8157.153.6000110.9R7 M10 T317 A323 L324 N325R7-D321 WeakPolarHBondContact CB-OD2 3.43Å; R7-D321 WeakPolarHBondContact CD-OD2 3.38Å; R7-D321 IonicContact CZ-OD1 3.98Å; R7-D321 IonicContact NH1-OD1 3.79Å; R7-D321 PolarHBondContact NH1-OD1 3.38Å; R7-D321 IonicContact NH1-OD2 3.63Å; M10-D321 HydrophobicContact CB-CB 4.03Å; M10-D321 VanDerWaalsContact CB-OD2 3.28Å; M10-D321 WeakPolarHBondContact CB-OD2 3.11Å; M10-D321 HydrophobicContact CE-CB 3.79Å; M10-D321 HydrophobicContact CG-CB 4.03Å; T317-D321 WeakPolarHBondContact O-CB 3.39Å; T317-D321 PolarHBondContact O-N 3.36Å; D321-A323 VanDerWaalsContact C-N 3.34Å; D321-A323 PolarHBondContact O-N 2.89Å; D321-L324 PolarHBondContact O-N 2.96Å; D321-N325 WeakPolarHBondContact O-CB 3.06Å; D321-N325 PolarHBondContact O-N 3.09Å; D321-N325 PolarHBondContact O-ND2 2.96Å; D321-N325 PolarHBondContact OD1-ND2 2.94Å
322Y98.8Very high98.6Very high22 Ų2215.2 Ų15.29%0.0868%0.075CC..Hα-helixtrans-57.8-45.3175.8165.8-91.4000112.2Y5 N276 I280 I318 L320 R326Y5-Y322 HydrophobicContact CD1-CD1 4.38Å; Y5-Y322 AromaticContact CD1-CE1 3.73Å; Y5-Y322 HydrophobicContact CD1-CE1 3.73Å; Y5-Y322 AromaticContact CD1-CE2 3.93Å; Y5-Y322 HydrophobicContact CD1-CE2 3.93Å; Y5-Y322 AromaticContact CD1-CZ 3.45Å; Y5-Y322 VanDerWaalsContact CD1-CZ 3.45Å; Y5-Y322 WeakPolarHBondContact CD1-OH 3.23Å; Y5-Y322 HydrophobicContact CE1-CE1 4.42Å; Y5-Y322 HydrophobicContact CG-CE1 4.29Å; Y5-Y322 WeakPolarHBondContact O-CB 3.48Å; N276-Y322 VanDerWaalsContact OD1-CE1 3.26Å; N276-Y322 WeakPolarHBondContact OD1-CE1 3.16Å; N276-Y322 PolarHBondContact OD1-OH 3.25Å; I280-Y322 HydrophobicContact CG1-CD1 4.41Å; I280-Y322 HydrophobicContact CG1-CE1 4.16Å; I318-Y322 WeakPolarHBondContact O-CB 3.42Å; I318-Y322 PolarHBondContact O-N 3.23Å; L320-Y322 VanDerWaalsContact C-N 3.35Å; L320-Y322 PolarHBondContact O-N 3.09Å; Y322-R326 VanDerWaalsContact CZ-CD 3.49Å; Y322-R326 WeakPolarHBondContact O-CB 3.29Å; Y322-R326 PolarHBondContact O-N 3.5Å; Y322-R326 WeakPolarHBondContact OH-CD 3.25Å; Y322-R326 PolarHBondContact OH-NH1 3.48Å
323A98.7Very high98.6Very high0 Ų022.3 Ų22.30%010%0.102CC..Hα-helixtrans-64.8-46-178.300000112L233 I277 I280 A319 L320 D321 F327L233-A323 HydrophobicContact CD1-CB 3.97Å; I277-A323 HydrophobicContact CD1-CB 3.87Å; I277-A323 WeakPolarHBondContact CD1-O 3.5Å; I280-A323 HydrophobicContact CG2-CB 4.1Å; A319-A323 VanDerWaalsContact O-CB 3.23Å; A319-A323 WeakPolarHBondContact O-CB 3.39Å; A319-A323 PolarHBondContact O-N 2.68Å; L320-A323 PolarHBondContact O-N 2.81Å; L320-A323 VanDerWaalsContact O-N 3.17Å; D321-A323 VanDerWaalsContact C-N 3.34Å; D321-A323 PolarHBondContact O-N 2.89Å; A323-F327 WeakPolarHBondContact O-CB 3.48Å; A323-F327 PolarHBondContact O-N 2.87Å
324L98.9Very high98.6Very high0 Ų022.5 Ų22.50%010%0.103CC..Hα-helixtrans-60.6-51.6176.1-75.2166.2000110.5I113 D116 L117 F120 I229 L233 L320 D321 R326 F327 T328I113-L324 HydrophobicContact CG2-CD1 4.2Å; D116-L324 HydrophobicContact CB-CB 3.96Å; D116-L324 HydrophobicContact CB-CD1 3.85Å; D116-L324 HydrophobicContact CB-CG 4.49Å; L117-L324 HydrophobicContact CD2-CD1 4.19Å; L117-L324 HydrophobicContact CD2-CD2 3.91Å; L117-L324 HydrophobicContact CG-CD1 4.12Å; F120-L324 HydrophobicContact CD1-CD2 4.35Å; I229-L324 HydrophobicContact CG2-CD2 4.41Å; L233-L324 HydrophobicContact CD1-CD2 4.02Å; L233-L324 HydrophobicContact CD1-CG 4.23Å; L233-L324 HydrophobicContact CD2-CD2 4.17Å; L320-L324 HydrophobicContact CD1-CD1 4.27Å; L320-L324 HydrophobicContact CD1-CG 4.25Å; L320-L324 HydrophobicContact CG-CD1 3.97Å; L320-L324 HydrophobicContact CG-CG 4.41Å; L320-L324 WeakPolarHBondContact O-CB 3.34Å; L320-L324 WeakPolarHBondContact O-CG 3.33Å; L320-L324 PolarHBondContact O-N 3.35Å; D321-L324 PolarHBondContact O-N 2.96Å; L324-R326 PolarHBondContact O-N 3.41Å; L324-F327 PolarHBondContact O-N 3.22Å; L324-T328 VanDerWaalsContact O-CB 3.25Å; L324-T328 WeakPolarHBondContact O-CB 3.23Å; L324-T328 PolarHBondContact O-N 3.2Å; L324-T328 PolarHBondContact O-OG1 2.9Å
325N98.7Very high98.6Very high11 Ų1124.3 Ų24.36%0.05911%0.114CC..Hα-helixtrans-58.5-49.2179.1-87.6-93.8000112.5R7 D116 R119 D321 N329R7-N325 VanDerWaalsContact CZ-CG 3.47Å; R7-N325 VanDerWaalsContact CZ-OD1 3.22Å; R7-N325 PolarHBondContact NE-OD1 2.81Å; R7-N325 PolarHBondContact NH1-ND2 3.1Å; R7-N325 PolarHBondContact NH1-OD1 3.23Å; D116-N325 PolarHBondContact OD1-ND2 3.43Å; D116-N325 PolarHBondContact OD2-ND2 2.78Å; R119-N325 PolarHBondContact NH1-OD1 2.86Å; R119-N325 PolarHBondContact NH2-ND2 3.46Å; R119-N325 PolarHBondContact NH2-OD1 3.14Å; D321-N325 WeakPolarHBondContact O-CB 3.06Å; D321-N325 PolarHBondContact O-N 3.09Å; D321-N325 PolarHBondContact O-ND2 2.96Å; D321-N325 PolarHBondContact OD1-ND2 2.94Å; N325-N329 PolarHBondContact O-N 3.37Å; N325-N329 PolarHBondContact O-ND2 3.35Å
326R98.4Very high98.6Very high74 Ų7424 Ų2428%0.27911%0.113SC..Hα-helixtrans-65-43.7-179179.6170.5178.2135.12.9111.1N276 I277 Y322 L324 N329 I330N276-R326 PolarHBondContact OD1-NE 3.04Å; I277-R326 HydrophobicContact CD1-CB 4.31Å; I277-R326 HydrophobicContact CD1-CG 4.4Å; Y322-R326 VanDerWaalsContact CZ-CD 3.49Å; Y322-R326 WeakPolarHBondContact O-CB 3.29Å; Y322-R326 PolarHBondContact O-N 3.5Å; Y322-R326 WeakPolarHBondContact OH-CD 3.25Å; Y322-R326 PolarHBondContact OH-NH1 3.48Å; L324-R326 PolarHBondContact O-N 3.41Å; R326-N329 PolarHBondContact O-N 3.35Å; R326-I330 HydrophobicContact CG-CD1 3.97Å; R326-I330 WeakPolarHBondContact O-CD1 3.47Å; R326-I330 VanDerWaalsContact O-CG1 3.31Å; R326-I330 WeakPolarHBondContact O-CG1 3.41Å; R326-I330 PolarHBondContact O-N 2.89Å; R326-I330 VanDerWaalsContact O-N 3.1Å
327F98.7Very high98.6Very high0 Ų026.6 Ų26.60%012%0.124CC..Hα-helixtrans-73.6-36.8-176.9-160-115.1000112.8F120 L233 F236 A237 I240 I277 A323 L324 N329 I330 V331F120-F327 HydrophobicContact CE1-CD1 4.27Å; F120-F327 AromaticContact CE2-CD1 3.85Å; F120-F327 HydrophobicContact CE2-CD1 3.85Å; F120-F327 HydrophobicContact CE2-CE1 4.3Å; F120-F327 AromaticContact CZ-CD1 3.5Å; F120-F327 HydrophobicContact CZ-CD1 3.5Å; F120-F327 VanDerWaalsContact CZ-CD1 3.5Å; F120-F327 AromaticContact CZ-CE1 3.74Å; F120-F327 HydrophobicContact CZ-CE1 3.74Å; L233-F327 HydrophobicContact CD2-CD1 3.9Å; F236-F327 HydrophobicContact CB-CE1 3.48Å; F236-F327 VanDerWaalsContact CB-CE1 3.48Å; F236-F327 HydrophobicContact CB-CZ 3.56Å; F236-F327 AromaticContact CD2-CE1 4Å; F236-F327 HydrophobicContact CD2-CE1 4Å; F236-F327 HydrophobicContact CG-CE1 4.26Å; A237-F327 HydrophobicContact CB-CE2 3.88Å; A237-F327 HydrophobicContact CB-CZ 4.22Å; I240-F327 HydrophobicContact CD1-CE2 3.86Å; I240-F327 HydrophobicContact CD1-CZ 3.75Å; I277-F327 HydrophobicContact CB-CD2 4.42Å; I277-F327 HydrophobicContact CD1-CB 4.1Å; I277-F327 HydrophobicContact CG1-CB 4.05Å; I277-F327 HydrophobicContact CG1-CD2 3.75Å; I277-F327 HydrophobicContact CG1-CG 4.21Å; I277-F327 HydrophobicContact CG2-CD2 4.44Å; A323-F327 WeakPolarHBondContact O-CB 3.48Å; A323-F327 PolarHBondContact O-N 2.87Å; L324-F327 PolarHBondContact O-N 3.22Å; F327-N329 VanDerWaalsContact C-N 3.31Å; F327-N329 PolarHBondContact O-N 2.89Å; F327-I330 HydrophobicContact CD2-CB 4.37Å; F327-I330 HydrophobicContact CD2-CD1 4.15Å; F327-I330 HydrophobicContact CD2-CG2 4.46Å; F327-I330 HydrophobicContact CE2-CG2 4.44Å; F327-I330 WeakPolarHBondContact O-CB 3.42Å; F327-I330 PolarHBondContact O-N 3.19Å; F327-V331 HydrophobicContact CD1-CG2 4.01Å; F327-V331 HydrophobicContact CE1-CG2 3.69Å; F327-V331 HydrophobicContact CE2-CG2 4.46Å; F327-V331 HydrophobicContact CZ-CG2 3.94Å; F327-V331 WeakPolarHBondContact O-CG2 3.37Å; F327-V331 PolarHBondContact O-N 3.39Å
328T98.8Very high98.5Very high4 Ų431.2 Ų31.23%0.02515%0.146CC..Hα-helixtrans-53.6-49.2169.4-63.70000110.9R119 F120 V123 L324 I330 V331 D332R119-T328 HydrophobicContact CG-CG2 4.18Å; F120-T328 VanDerWaalsContact CB-OG1 3.27Å; F120-T328 WeakPolarHBondContact CB-OG1 3.49Å; F120-T328 HydrophobicContact CD2-CG2 4.44Å; F120-T328 VanDerWaalsContact CD2-OG1 3.24Å; F120-T328 WeakPolarHBondContact CD2-OG1 3.17Å; V123-T328 HydrophobicContact CB-CG2 4.34Å; V123-T328 HydrophobicContact CG2-CG2 3.78Å; L324-T328 VanDerWaalsContact O-CB 3.25Å; L324-T328 WeakPolarHBondContact O-CB 3.23Å; L324-T328 PolarHBondContact O-N 3.2Å; L324-T328 PolarHBondContact O-OG1 2.9Å; T328-I330 VanDerWaalsContact C-N 3.29Å; T328-I330 PolarHBondContact O-N 3.43Å; T328-V331 PolarHBondContact O-N 2.87Å; T328-D332 WeakPolarHBondContact O-CB 3.28Å; T328-D332 PolarHBondContact O-N 2.86Å
329N98.4Very high98.5Very high68 Ų6836.8 Ų36.836%0.36418%0.176SC..Hα-helixtrans-66.1-27.1177.5-74.5-52.3000114.3N325 R326 F327 R333N325-N329 PolarHBondContact O-N 3.37Å; N325-N329 PolarHBondContact O-ND2 3.35Å; R326-N329 PolarHBondContact O-N 3.35Å; F327-N329 VanDerWaalsContact C-N 3.31Å; F327-N329 PolarHBondContact O-N 2.89Å; N329-R333 WeakPolarHBondContact O-CB 3.23Å; N329-R333 PolarHBondContact O-N 3.44Å; N329-R333 PolarHBondContact O-NE 3.18Å; N329-R333 VanDerWaalsContact O-NE 3.15Å
330I98.5Very high98.5Very high16 Ų1638.9 Ų38.98%0.08219%0.187CC..Hα-helixtrans-72.6-49.2174.8-73.4160.1000109.7I240 E253 G273 R326 F327 T328 L334I240-I330 HydrophobicContact CD1-CG2 4.15Å; E253-I330 HydrophobicContact CG-CG2 3.87Å; G273-I330 VanDerWaalsContact CA-CD1 3.45Å; R326-I330 HydrophobicContact CG-CD1 3.97Å; R326-I330 WeakPolarHBondContact O-CD1 3.47Å; R326-I330 VanDerWaalsContact O-CG1 3.31Å; R326-I330 WeakPolarHBondContact O-CG1 3.41Å; R326-I330 PolarHBondContact O-N 2.89Å; R326-I330 VanDerWaalsContact O-N 3.1Å; F327-I330 HydrophobicContact CD2-CB 4.37Å; F327-I330 HydrophobicContact CD2-CD1 4.15Å; F327-I330 HydrophobicContact CD2-CG2 4.46Å; F327-I330 HydrophobicContact CE2-CG2 4.44Å; F327-I330 WeakPolarHBondContact O-CB 3.42Å; F327-I330 PolarHBondContact O-N 3.19Å; T328-I330 VanDerWaalsContact C-N 3.29Å; T328-I330 PolarHBondContact O-N 3.43Å; I330-L334 WeakPolarHBondContact O-CA 3.36Å; I330-L334 WeakPolarHBondContact O-CB 3.31Å; I330-L334 PolarHBondContact O-N 3.18Å
331V98.7Very high98.5Very high0 Ų038.9 Ų38.90%019%0.187CC..Hα-helixtrans-66.2-46.9-178.7175.50000110.4F120 V123 L124 K127 I240 F327 T328 R333 L334F120-V331 HydrophobicContact CE2-CB 4.18Å; F120-V331 HydrophobicContact CE2-CG2 3.91Å; F120-V331 HydrophobicContact CZ-CG2 4.41Å; V123-V331 HydrophobicContact CG1-CB 4.22Å; V123-V331 HydrophobicContact CG1-CG1 3.9Å; L124-V331 HydrophobicContact CD2-CG1 4.09Å; K127-V331 WeakPolarHBondContact CE-O 3.21Å; K127-V331 HydrophobicContact CG-CG1 4.19Å; I240-V331 HydrophobicContact CD1-CG2 4.25Å; F327-V331 HydrophobicContact CD1-CG2 4.01Å; F327-V331 HydrophobicContact CE1-CG2 3.69Å; F327-V331 HydrophobicContact CE2-CG2 4.46Å; F327-V331 HydrophobicContact CZ-CG2 3.94Å; F327-V331 WeakPolarHBondContact O-CG2 3.37Å; F327-V331 PolarHBondContact O-N 3.39Å; T328-V331 PolarHBondContact O-N 2.87Å; V331-R333 VanDerWaalsContact C-N 3.32Å; V331-R333 PolarHBondContact O-N 2.86Å; V331-L334 WeakPolarHBondContact O-CB 3.44Å; V331-L334 PolarHBondContact O-N 3.01Å; V331-L334 VanDerWaalsContact O-N 3.12Å
332D98.4Very high98.3Very high62 Ų6245.3 Ų45.333%0.33221%0.211SC..Hα-helixtrans-53.5-46.8177.5176.445.6000112.2V123 K127 T328V123-D332 HydrophobicContact CG1-CB 3.82Å; V123-D332 HydrophobicContact CG2-CB 4.25Å; K127-D332 WeakPolarHBondContact CE-O 3.32Å; K127-D332 PolarHBondContact NZ-O 3.49Å; T328-D332 WeakPolarHBondContact O-CB 3.28Å; T328-D332 PolarHBondContact O-N 2.86Å
333R97.9Very high98.3Very high151 Ų15148.8 Ų48.857%0.5723%0.231SC*.THydrogen-bonded Turntrans-94.310.4-178.3-56.6-177.3-60.9172.12.7113.9A254 N329 V331 T335A254-R333 HydrophobicContact CB-CB 3.88Å; N329-R333 WeakPolarHBondContact O-CB 3.23Å; N329-R333 PolarHBondContact O-N 3.44Å; N329-R333 PolarHBondContact O-NE 3.18Å; N329-R333 VanDerWaalsContact O-NE 3.15Å; V331-R333 VanDerWaalsContact C-N 3.32Å; V331-R333 PolarHBondContact O-N 2.86Å; R333-T335 PolarHBondContact O-N 3.01Å
334L98.2Very high98.2Very high6 Ų649.1 Ų49.13%0.03123%0.233CC..  trans-61.9124.9-178-168.269.3000109.7F150 M154 I240 V251 I330 V331F150-L334 HydrophobicContact CZ-CD2 4.18Å; M154-L334 HydrophobicContact CE-CD2 4.37Å; I240-L334 HydrophobicContact CD1-CD1 4.26Å; I240-L334 HydrophobicContact CD1-CD2 4.23Å; I240-L334 HydrophobicContact CG1-CD2 4.31Å; I240-L334 HydrophobicContact CG2-CD1 4.08Å; V251-L334 HydrophobicContact CB-CD1 4.22Å; V251-L334 HydrophobicContact CB-CD2 4.01Å; V251-L334 HydrophobicContact CB-CG 4.07Å; V251-L334 HydrophobicContact CG1-CD2 4.11Å; V251-L334 HydrophobicContact CG2-CD1 4.23Å; V251-L334 HydrophobicContact CG2-CD2 4.29Å; I330-L334 WeakPolarHBondContact O-CA 3.36Å; I330-L334 WeakPolarHBondContact O-CB 3.31Å; I330-L334 PolarHBondContact O-N 3.18Å; V331-L334 WeakPolarHBondContact O-CB 3.44Å; V331-L334 PolarHBondContact O-N 3.01Å; V331-L334 VanDerWaalsContact O-N 3.12Å
335T97.9Very high98.1Very high59 Ų5949.4 Ų49.436%0.36223%0.234SC..EExtended strand (participates in β ladder)trans-79.4128.6173.8-57.30000108.5V251 E252 R333 F337V251-T335 CarbonylContact C-O 3.54Å; V251-T335 WeakPolarHBondContact CA-O 3.41Å; E252-T335 PolarHBondContact N-O 3.29Å; E252-T335 WeakPolarHBondContact O-CB 3.44Å; E252-T335 PolarHBondContact O-N 3.07Å; R333-T335 PolarHBondContact O-N 3.01Å; T335-F337 HydrophobicContact CG2-CE1 3.95Å; T335-F337 HydrophobicContact CG2-CE2 4.04Å; T335-F337 HydrophobicContact CG2-CZ 3.66Å
336V98.5Very high97.9Very high20 Ų2053.6 Ų53.612%0.12126%0.257CS..EExtended strand (participates in β ladder)trans-113.8127.7-1801800000108.7Y131 F150 V251 E338 M341Y131-V336 HydrophobicContact CD1-CG1 4.1Å; Y131-V336 HydrophobicContact CD2-CG2 4.34Å; Y131-V336 HydrophobicContact CE1-CB 3.77Å; Y131-V336 HydrophobicContact CE1-CG1 3.79Å; Y131-V336 HydrophobicContact CE1-CG2 4.08Å; Y131-V336 HydrophobicContact CE2-CB 4.28Å; Y131-V336 HydrophobicContact CE2-CG2 3.67Å; F150-V336 HydrophobicContact CD1-CG1 4.1Å; F150-V336 HydrophobicContact CD1-CG2 4.21Å; F150-V336 HydrophobicContact CE1-CG1 4.15Å; F150-V336 HydrophobicContact CE1-CG2 3.51Å; F150-V336 HydrophobicContact CZ-CG2 4.06Å; V251-V336 HydrophobicContact CG1-CG2 4.48Å; V336-E338 HydrophobicContact CG1-CG 4.28Å; V336-M341 HydrophobicContact CG1-CE 3.68Å; V336-M341 HydrophobicContact CG1-SD 4.14Å
337F98.6Very high97.7Very high54 Ų5455 Ų5524%0.23727%0.265CS..  trans-104.583.1-179.8-62.5-74.4000110.1R249 E250 E252 T335 D339 N340 M341R249-F337 HydrophobicContact CG-CD2 4.29Å; R249-F337 HydrophobicContact CG-CE2 4.26Å; R249-F337 WeakPolarHBondContact O-CD2 3.45Å; E250-F337 PolarHBondContact O-N 2.96Å; E252-F337 HydrophobicContact CB-CE2 3.73Å; E252-F337 HydrophobicContact CB-CZ 4.38Å; T335-F337 HydrophobicContact CG2-CE1 3.95Å; T335-F337 HydrophobicContact CG2-CE2 4.04Å; T335-F337 HydrophobicContact CG2-CZ 3.66Å; F337-D339 VanDerWaalsContact C-N 3.25Å; F337-D339 PolarHBondContact O-N 3.49Å; F337-N340 HydrophobicContact CB-CB 3.81Å; F337-N340 WeakPolarHBondContact CB-ND2 3.24Å; F337-N340 PolarHBondContact O-N 3.2Å; F337-M341 PolarHBondContact O-N 3.19Å
338E98.3Very high97.6Very high98 Ų9855.7 Ų55.746%0.45827%0.269SS..Hα-helixtrans-57.1-38.9-178.1-55.4-167.3-116.600112.1T134 V336 N340 M341 R342T134-E338 HydrophobicContact CG2-CB 4.1Å; T134-E338 HydrophobicContact CG2-CG 3.64Å; T134-E338 VanDerWaalsContact CG2-OE2 3.32Å; T134-E338 WeakPolarHBondContact CG2-OE2 3.47Å; T134-E338 PolarHBondContact OG1-OE2 2.92Å; V336-E338 HydrophobicContact CG1-CG 4.28Å; E338-N340 PolarHBondContact O-N 3.43Å; E338-M341 WeakPolarHBondContact O-CB 3.44Å; E338-M341 PolarHBondContact O-N 2.93Å; E338-R342 PolarHBondContact O-N 3.25Å
339D97.9Very high97.5Very high126 Ų12658.6 Ų58.667%0.67428%0.281SS*.Hα-helixtrans-62.3-40.1175.2-67-23.8000112.3F337 R342 N343F337-D339 VanDerWaalsContact C-N 3.25Å; F337-D339 PolarHBondContact O-N 3.49Å; D339-R342 WeakPolarHBondContact O-CB 3.48Å; D339-R342 PolarHBondContact O-N 3.18Å; D339-N343 WeakPolarHBondContact O-CB 3.38Å; D339-N343 PolarHBondContact O-N 3.05Å; D339-N343 PolarHBondContact O-ND2 3.48Å; D339-N343 VanDerWaalsContact O-ND2 3.1Å
340N98.4Very high97.4Very high46 Ų4655.9 Ų55.925%0.24627%0.269CS..Hα-helixtrans-69.3-39.1177-68.8-16.1000111R249 F337 E338 R342 N343 N344R249-N340 WeakPolarHBondContact O-CB 3.2Å; R249-N340 PolarHBondContact O-ND2 3.06Å; F337-N340 HydrophobicContact CB-CB 3.81Å; F337-N340 WeakPolarHBondContact CB-ND2 3.24Å; F337-N340 PolarHBondContact O-N 3.2Å; E338-N340 PolarHBondContact O-N 3.43Å; N340-R342 VanDerWaalsContact C-N 3.32Å; N340-R342 PolarHBondContact O-N 3.46Å; N340-N343 PolarHBondContact O-N 2.84Å; N340-N344 VanDerWaalsContact O-CB 3.23Å; N340-N344 WeakPolarHBondContact O-CB 3.5Å; N340-N344 PolarHBondContact O-N 2.95Å; N340-N344 PolarHBondContact O-ND2 3.1Å; N340-N344 PolarHBondContact O-OD1 2.86Å
341M98.5Very high97.3Very high0 Ų056.2 Ų56.20%027%0.271CS..Hα-helixtrans-59-45.3173.6-69.3178.617400110.9T134 L135 M136 F150 E250 V251 V336 F337 E338 N344 I345T134-M341 HydrophobicContact CG2-SD 3.68Å; L135-M341 WeakPolarHBondContact O-CB 3.31Å; M136-M341 HydrophobicContact CB-CB 3.94Å; M136-M341 HydrophobicContact CB-CG 4.01Å; M136-M341 HydrophobicContact CB-SD 3.94Å; M136-M341 HydrophobicContact CE-CE 4.32Å; F150-M341 HydrophobicContact CB-CE 3.99Å; F150-M341 HydrophobicContact CB-SD 4.03Å; F150-M341 HydrophobicContact CD1-CE 4.24Å; F150-M341 HydrophobicContact CD2-CE 3.48Å; F150-M341 VanDerWaalsContact CD2-CE 3.48Å; F150-M341 HydrophobicContact CE2-CE 3.9Å; F150-M341 HydrophobicContact CG-CE 3.65Å; F150-M341 HydrophobicContact CG-SD 4.33Å; F150-M341 HydrophobicContact CZ-CE 4.43Å; E250-M341 HydrophobicContact CB-CE 3.86Å; E250-M341 HydrophobicContact CB-CG 3.71Å; E250-M341 HydrophobicContact CG-CB 4.36Å; E250-M341 HydrophobicContact CG-CG 3.57Å; V251-M341 HydrophobicContact CG1-CE 4.04Å; V336-M341 HydrophobicContact CG1-CE 3.68Å; V336-M341 HydrophobicContact CG1-SD 4.14Å; F337-M341 PolarHBondContact O-N 3.19Å; E338-M341 WeakPolarHBondContact O-CB 3.44Å; E338-M341 PolarHBondContact O-N 2.93Å; M341-N344 PolarHBondContact O-N 3.31Å; M341-I345 WeakPolarHBondContact O-CG1 3.36Å; M341-I345 PolarHBondContact O-N 3.1Å
342R96.1Very high97.3Very high135 Ų13556.6 Ų56.651%0.50927%0.273SS..Hα-helixtrans-59.6-53.8174.7-170.382.9-174.9-168.83.8111.4E338 D339 N340 N344 I345E338-R342 PolarHBondContact O-N 3.25Å; D339-R342 WeakPolarHBondContact O-CB 3.48Å; D339-R342 PolarHBondContact O-N 3.18Å; N340-R342 VanDerWaalsContact C-N 3.32Å; N340-R342 PolarHBondContact O-N 3.46Å; R342-N344 PolarHBondContact O-N 3.08Å; R342-I345 WeakPolarHBondContact O-CB 3.46Å; R342-I345 PolarHBondContact O-N 3.24Å; R342-I345 VanDerWaalsContact O-N 3.17Å
343N97Very high97.2Very high95 Ų9554.2 Ų54.251%0.50826%0.26SS..Hα-helixtrans-62-31.9-178.8-68.5-26.6000112.6D339 N340 I345 D346D339-N343 WeakPolarHBondContact O-CB 3.38Å; D339-N343 PolarHBondContact O-N 3.05Å; D339-N343 PolarHBondContact O-ND2 3.48Å; D339-N343 VanDerWaalsContact O-ND2 3.1Å; N340-N343 PolarHBondContact O-N 2.84Å; N343-I345 VanDerWaalsContact C-N 3.29Å; N343-I345 PolarHBondContact O-N 3.15Å; N343-D346 PolarHBondContact O-N 2.99Å
344N98.1Very high97.2Very high6 Ų648.8 Ų48.83%0.03225%0.245CC..Hα-helixtrans-69.5-26.3179.8-75.2-18.7000113.2H144 T248 E250 N340 M341 R342 D346 K347H144-N344 PolarHBondContact NE2-O 3.29Å; T248-N344 PolarHBondContact O-ND2 2.9Å; E250-N344 VanDerWaalsContact CG-ND2 3.25Å; E250-N344 WeakPolarHBondContact CG-ND2 3.2Å; E250-N344 WeakPolarHBondContact OE1-CB 3.32Å; E250-N344 PolarHBondContact OE1-ND2 3.4Å; N340-N344 VanDerWaalsContact O-CB 3.23Å; N340-N344 WeakPolarHBondContact O-CB 3.5Å; N340-N344 PolarHBondContact O-N 2.95Å; N340-N344 PolarHBondContact O-ND2 3.1Å; N340-N344 PolarHBondContact O-OD1 2.86Å; M341-N344 PolarHBondContact O-N 3.31Å; R342-N344 PolarHBondContact O-N 3.08Å; N344-D346 PolarHBondContact O-N 2.94Å; N344-K347 HydrophobicContact CB-CD 4.43Å; N344-K347 WeakPolarHBondContact O-CB 3.01Å; N344-K347 PolarHBondContact O-N 3.32Å; N344-K347 WeakPolarHBondContact OD1-CE 3.39Å; N344-K347 PolarHBondContact OD1-NZ 3.42Å
345I96.5Very high97.2Very high6 Ų653.3 Ų53.33%0.03127%0.266CS..Hα-helixtrans-61.7-37.7175.2-67170000110.1L135 M137 M341 R342 N343 K347 I352L135-I345 HydrophobicContact CB-CD1 4.37Å; L135-I345 HydrophobicContact CD2-CD1 3.49Å; L135-I345 VanDerWaalsContact CD2-CD1 3.49Å; L135-I345 HydrophobicContact CG-CD1 3.61Å; M137-I345 HydrophobicContact CB-CG1 4.31Å; M137-I345 HydrophobicContact SD-CB 4.46Å; M137-I345 HydrophobicContact SD-CG1 4.21Å; M137-I345 HydrophobicContact SD-CG2 4.4Å; M341-I345 WeakPolarHBondContact O-CG1 3.36Å; M341-I345 PolarHBondContact O-N 3.1Å; R342-I345 WeakPolarHBondContact O-CB 3.46Å; R342-I345 PolarHBondContact O-N 3.24Å; R342-I345 VanDerWaalsContact O-N 3.17Å; N343-I345 VanDerWaalsContact C-N 3.29Å; N343-I345 PolarHBondContact O-N 3.15Å; I345-K347 VanDerWaalsContact C-N 3.31Å; I345-K347 PolarHBondContact O-N 2.87Å; I345-I352 HydrophobicContact CG2-CD1 3.25Å
346D93.4Very high97.2Very high99 Ų9952.1 Ų52.153%0.52926%0.255SS..G310 helixtrans-81.1-7.7-176.1-62-34.7000113.9N343 N344 T348 F349N343-D346 PolarHBondContact O-N 2.99Å; N344-D346 PolarHBondContact O-N 2.94Å; D346-T348 PolarHBondContact O-N 3.25Å; D346-F349 PolarHBondContact O-N 2.9Å
347K95.3Very high97.2Very high105 Ų10551.2 Ų51.246%0.45725%0.249SC..G310 helixtrans-60.4-19.3-178.4-79.5-178.8168.6166.80114.5E247 N344 I345E247-K347 PolarHBondContact O-NZ 3.36Å; N344-K347 HydrophobicContact CB-CD 4.43Å; N344-K347 WeakPolarHBondContact O-CB 3.01Å; N344-K347 PolarHBondContact O-N 3.32Å; N344-K347 WeakPolarHBondContact OD1-CE 3.39Å; N344-K347 PolarHBondContact OD1-NZ 3.42Å; I345-K347 VanDerWaalsContact C-N 3.31Å; I345-K347 PolarHBondContact O-N 2.87Å
348T95.8Very high97.2Very high13 Ų1349.2 Ų49.28%0.0824%0.241CC..G310 helixtrans-110.929.3179.6630000111.4H144 D346 G350 L351 I352 W383H144-T348 HydrophobicContact CB-CG2 4.01Å; H144-T348 WeakPolarHBondContact CD2-CG2 3.5Å; D346-T348 PolarHBondContact O-N 3.25Å; T348-G350 PolarHBondContact O-N 3.25Å; T348-L351 WeakPolarHBondContact O-CB 3.38Å; T348-L351 WeakPolarHBondContact O-CD1 3.36Å; T348-L351 WeakPolarHBondContact O-CG 3.33Å; T348-L351 PolarHBondContact O-N 3.45Å; T348-I352 WeakPolarHBondContact OG1-CG2 3.35Å; T348-W383 HydrophobicContact CG2-CH2 4.09Å; T348-W383 HydrophobicContact CG2-CZ3 3.69Å
349F96.6Very high97.2Very high65 Ų6547.7 Ų47.729%0.28524%0.236SC..THydrogen-bonded Turntrans5629.2166.7-45.1-68.5000114.7D346 K386 F389D346-F349 PolarHBondContact O-N 2.9Å; F349-K386 HydrophobicContact CE1-CB 3.87Å; F349-K386 HydrophobicContact CE1-CG 4.47Å; F349-K386 HydrophobicContact CE2-CB 3.85Å; F349-K386 HydrophobicContact CE2-CG 3.82Å; F349-K386 HydrophobicContact CZ-CB 3.48Å; F349-K386 VanDerWaalsContact CZ-CB 3.48Å; F349-K386 HydrophobicContact CZ-CD 4.03Å; F349-K386 HydrophobicContact CZ-CG 3.62Å; F349-F389 VanDerWaalsContact O-CB 3.26Å; F349-F389 WeakPolarHBondContact O-CB 3.36Å; F349-F389 PolarHBondContact O-N 3.39Å
350G96.5Very high97.2Very high11 Ų1142.5 Ų42.511%0.11321%0.211CC..THydrogen-bonded Turntrans81.65.3-177.700000115.5T348 I352 F353T348-G350 PolarHBondContact O-N 3.25Å; G350-I352 PolarHBondContact O-N 3.1Å; G350-I352 VanDerWaalsContact O-N 3.12Å; G350-F353 WeakPolarHBondContact O-CD2 3.44Å; G350-F353 PolarHBondContact O-N 3.44Å; G350-F353 VanDerWaalsContact O-N 3.12Å
351L97.6Very high97.1Very high23 Ų2340.3 Ų40.312%0.1220%0.199CC..G310 helixtrans-57.5-25.7178.4-74.1172.8000114.8T348 F353 S354 A379 W383 F389T348-L351 WeakPolarHBondContact O-CB 3.38Å; T348-L351 WeakPolarHBondContact O-CD1 3.36Å; T348-L351 WeakPolarHBondContact O-CG 3.33Å; T348-L351 PolarHBondContact O-N 3.45Å; L351-F353 PolarHBondContact O-N 3.02Å; L351-F353 VanDerWaalsContact O-N 3.11Å; L351-S354 WeakPolarHBondContact O-CB 3.43Å; L351-S354 PolarHBondContact O-N 3.28Å; L351-S354 PolarHBondContact O-OG 3.48Å; L351-A379 HydrophobicContact CD2-CB 3.54Å; L351-A379 WeakPolarHBondContact CD2-O 3.48Å; L351-W383 HydrophobicContact CD1-CB 4.26Å; L351-W383 HydrophobicContact CD1-CD2 4.3Å; L351-W383 HydrophobicContact CD1-CE3 3.45Å; L351-W383 VanDerWaalsContact CD1-CE3 3.45Å; L351-W383 HydrophobicContact CD1-CZ3 4.12Å; L351-F389 HydrophobicContact CD2-CB 4.04Å; L351-F389 HydrophobicContact CD2-CD2 3.78Å; L351-F389 HydrophobicContact CD2-CE2 4.44Å; L351-F389 HydrophobicContact CD2-CG 3.92Å; L351-F389 HydrophobicContact CG-CB 4.36Å
352I97.5Very high97.1Very high9 Ų942.5 Ų42.55%0.04621%0.21CC..G310 helixtrans-60.6-18.1177.766.2-179.7000113M137 H144 A145 P147 I345 T348 G350M137-I352 HydrophobicContact CE-CB 4.24Å; M137-I352 HydrophobicContact CE-CD1 4.37Å; M137-I352 HydrophobicContact CE-CG2 3.85Å; M137-I352 HydrophobicContact SD-CD1 4.06Å; M137-I352 HydrophobicContact SD-CG2 3.71Å; H144-I352 HydrophobicContact CB-CG2 4.12Å; A145-I352 WeakPolarHBondContact O-CB 3.44Å; A145-I352 WeakPolarHBondContact O-CG2 3.46Å; P147-I352 HydrophobicContact CG-CD1 3.89Å; I345-I352 HydrophobicContact CG2-CD1 3.25Å; T348-I352 WeakPolarHBondContact OG1-CG2 3.35Å; G350-I352 PolarHBondContact O-N 3.1Å; G350-I352 VanDerWaalsContact O-N 3.12Å
353F97.6Very high97.2Very high12 Ų1242.6 Ų42.65%0.05322%0.221CC..G310 helixtrans-92.6-0.6177.8-57.7-66.8000113.1G350 L351 Q355 R356 V357 C411 F412 P414G350-F353 WeakPolarHBondContact O-CD2 3.44Å; G350-F353 PolarHBondContact O-N 3.44Å; G350-F353 VanDerWaalsContact O-N 3.12Å; L351-F353 PolarHBondContact O-N 3.02Å; L351-F353 VanDerWaalsContact O-N 3.11Å; F353-Q355 VanDerWaalsContact C-N 3.27Å; F353-Q355 PolarHBondContact O-N 3.4Å; F353-R356 WeakPolarHBondContact O-CB 3.45Å; F353-R356 PolarHBondContact O-N 2.87Å; F353-V357 PolarHBondContact O-N 3.39Å; F353-V357 VanDerWaalsContact O-N 3.14Å; F353-C411 VanDerWaalsContact CD1-O 3.28Å; F353-C411 WeakPolarHBondContact CD1-O 3.32Å; F353-F412 HydrophobicContact CB-CD1 3.92Å; F353-F412 HydrophobicContact CB-CE1 4.04Å; F353-F412 HydrophobicContact CB-CG 4.3Å; F353-F412 HydrophobicContact CD2-CB 4.35Å; F353-F412 AromaticContact CD2-CD1 3.43Å; F353-F412 HydrophobicContact CD2-CD1 3.43Å; F353-F412 VanDerWaalsContact CD2-CD1 3.43Å; F353-F412 HydrophobicContact CD2-CE1 4.05Å; F353-F412 HydrophobicContact CD2-CG 4.16Å; F353-F412 HydrophobicContact CE2-CD1 4.22Å; F353-F412 AromaticContact CG-CD1 3.93Å; F353-F412 HydrophobicContact CG-CD1 3.93Å; F353-F412 HydrophobicContact CG-CE1 4.46Å; F353-F412 HydrophobicContact CG-CG 4.34Å; F353-F412 WeakPolarHBondContact CZ-O 3.48Å; F353-P414 HydrophobicContact CZ-CB 4.28Å
354S97.7Very high97.2Very high37 Ų3743.1 Ų43.126%0.25922%0.218SC..Hα-helixtrans-54.2-40.1-178.454.90000113.3L351 R356 V357 L358L351-S354 WeakPolarHBondContact O-CB 3.43Å; L351-S354 PolarHBondContact O-N 3.28Å; L351-S354 PolarHBondContact O-OG 3.48Å; S354-R356 VanDerWaalsContact C-N 3.33Å; S354-R356 PolarHBondContact O-N 3.44Å; S354-V357 PolarHBondContact O-N 3Å; S354-L358 WeakPolarHBondContact O-CB 3.32Å; S354-L358 PolarHBondContact O-N 3.26Å
355Q97.9Very high97.2Very high100 Ų10046 Ų4647%0.46725%0.249SC..Hα-helixtrans-64.2-37.1176.2178.9167.7-18.600112.2E146 F353 L358 L359E146-Q355 PolarHBondContact OE1-OE1 3.22Å; F353-Q355 VanDerWaalsContact C-N 3.27Å; F353-Q355 PolarHBondContact O-N 3.4Å; Q355-L358 PolarHBondContact O-N 2.74Å; Q355-L359 HydrophobicContact CG-CD1 4.07Å; Q355-L359 HydrophobicContact CG-CG 4.32Å; Q355-L359 WeakPolarHBondContact O-CB 3.48Å; Q355-L359 VanDerWaalsContact O-CG 3.28Å; Q355-L359 WeakPolarHBondContact O-CG 3.35Å; Q355-L359 PolarHBondContact O-N 3.31Å
356R97.4Very high97.2Very high35 Ų3546.7 Ų46.713%0.13225%0.253CS..Hα-helixtrans-67.1-41.4177.7-65.3-166.265-149.1-5.7111.7F353 S354 L359 A360 E410 C411 D413 H416F353-R356 WeakPolarHBondContact O-CB 3.45Å; F353-R356 PolarHBondContact O-N 2.87Å; S354-R356 VanDerWaalsContact C-N 3.33Å; S354-R356 PolarHBondContact O-N 3.44Å; R356-L359 PolarHBondContact O-N 3.17Å; R356-A360 WeakPolarHBondContact O-CB 3.4Å; R356-A360 PolarHBondContact O-N 3.46Å; R356-E410 PolarHBondContact NH1-O 3.42Å; R356-E410 PolarHBondContact NH2-O 2.85Å; R356-C411 HydrophobicContact CB-CB 4.15Å; R356-C411 WeakPolarHBondContact CD-O 3.27Å; R356-C411 PolarHBondContact NH1-O 2.86Å; R356-D413 PolarHBondContact NH1-O 3.26Å; R356-H416 VanDerWaalsContact CZ-CB 3.47Å; R356-H416 PolarHBondContact NE-CD2 3.26Å; R356-H416 VanDerWaalsContact NH1-CB 3.25Å
357V98Very high97.4Very high0 Ų046.5 Ų46.50%026%0.255CS..Hα-helixtrans-61.7-46.1173.7179.40000110.9F353 S354 L359 A360 L361 V375 F389 I393 I399 L403 C411 F412F353-V357 PolarHBondContact O-N 3.39Å; F353-V357 VanDerWaalsContact O-N 3.14Å; S354-V357 PolarHBondContact O-N 3Å; V357-L359 PolarHBondContact O-N 3.38Å; V357-A360 PolarHBondContact O-N 3.48Å; V357-L361 WeakPolarHBondContact O-CG 3.48Å; V357-L361 PolarHBondContact O-N 2.91Å; V357-V375 HydrophobicContact CB-CG2 4.46Å; V357-V375 HydrophobicContact CG1-CG2 3.95Å; V357-F389 HydrophobicContact CG2-CE1 4.14Å; V357-I393 HydrophobicContact CG1-CD1 4.19Å; V357-I393 HydrophobicContact CG1-CG2 4.33Å; V357-I399 HydrophobicContact CG1-CG2 4.49Å; V357-L403 HydrophobicContact CG1-CD1 4.46Å; V357-C411 HydrophobicContact CG2-CB 4.03Å; V357-F412 HydrophobicContact CG2-CE2 3.78Å; V357-F412 HydrophobicContact CG2-CZ 4.19Å
358L98.2Very high97.5Very high12 Ų1248.7 Ų48.76%0.06326%0.26CS..Hα-helixtrans-57.7-48176.1178.8159.3000111.6S354 Q355 A360 L361 I362 A371 Y372 V375S354-L358 WeakPolarHBondContact O-CB 3.32Å; S354-L358 PolarHBondContact O-N 3.26Å; Q355-L358 PolarHBondContact O-N 2.74Å; L358-A360 VanDerWaalsContact C-N 3.34Å; L358-A360 PolarHBondContact O-N 3.3Å; L358-L361 PolarHBondContact O-N 2.76Å; L358-I362 HydrophobicContact CD2-CD1 3.46Å; L358-I362 VanDerWaalsContact CD2-CD1 3.46Å; L358-I362 HydrophobicContact CD2-CG1 4.3Å; L358-I362 HydrophobicContact CG-CD1 4.48Å; L358-I362 WeakPolarHBondContact O-CG1 3.42Å; L358-I362 PolarHBondContact O-N 2.87Å; L358-I362 VanDerWaalsContact O-N 3.11Å; L358-A371 HydrophobicContact CG-CB 4.26Å; L358-Y372 HydrophobicContact CD1-CD2 3.58Å; L358-Y372 HydrophobicContact CD1-CG 4.2Å; L358-V375 HydrophobicContact CB-CG2 4.29Å
359L98.2Very high97.6Very high67 Ų6755.2 Ų55.235%0.35129%0.29SS..Hα-helixtrans-67.1-35.2180-69.6177.4000112Q355 R356 V357 I362 N363Q355-L359 HydrophobicContact CG-CD1 4.07Å; Q355-L359 HydrophobicContact CG-CG 4.32Å; Q355-L359 WeakPolarHBondContact O-CB 3.48Å; Q355-L359 VanDerWaalsContact O-CG 3.28Å; Q355-L359 WeakPolarHBondContact O-CG 3.35Å; Q355-L359 PolarHBondContact O-N 3.31Å; R356-L359 PolarHBondContact O-N 3.17Å; V357-L359 PolarHBondContact O-N 3.38Å; L359-I362 HydrophobicContact CD2-CD1 4.49Å; L359-I362 PolarHBondContact O-N 3.03Å; L359-N363 WeakPolarHBondContact O-CB 3.33Å; L359-N363 PolarHBondContact O-N 3.4Å; L359-N363 PolarHBondContact O-ND2 3.3Å
360A98.1Very high97.6Very high17 Ų1756.5 Ų56.514%0.1430%0.297CS..Hα-helixtrans-62.2-43174.600000111.7R356 V357 L358 I362 N363 K364 L403R356-A360 WeakPolarHBondContact O-CB 3.4Å; R356-A360 PolarHBondContact O-N 3.46Å; V357-A360 PolarHBondContact O-N 3.48Å; L358-A360 VanDerWaalsContact C-N 3.34Å; L358-A360 PolarHBondContact O-N 3.3Å; A360-I362 PolarHBondContact O-N 2.9Å; A360-N363 PolarHBondContact O-N 2.64Å; A360-K364 WeakPolarHBondContact O-CG 3.14Å; A360-K364 PolarHBondContact O-N 3.2Å; A360-L403 HydrophobicContact CB-CD1 3.84Å; A360-L403 HydrophobicContact CB-CD2 3.79Å
361L98.2Very high97.7Very high0 Ų056 Ų560%029%0.291CS..Hα-helixtrans-60.2-44.1173.5-71.4169.8000112.1V357 L358 N363 K364 M366 A371 V375 I399 V402 L403V357-L361 WeakPolarHBondContact O-CG 3.48Å; V357-L361 PolarHBondContact O-N 2.91Å; L358-L361 PolarHBondContact O-N 2.76Å; L361-N363 VanDerWaalsContact C-N 3.34Å; L361-N363 PolarHBondContact O-N 3.43Å; L361-K364 WeakPolarHBondContact O-CB 3.11Å; L361-K364 PolarHBondContact O-N 2.93Å; L361-K364 VanDerWaalsContact O-N 3.14Å; L361-M366 HydrophobicContact CB-CB 4.33Å; L361-M366 HydrophobicContact CB-SD 4.01Å; L361-M366 HydrophobicContact CD1-SD 4.19Å; L361-M366 HydrophobicContact CD2-CE 4.03Å; L361-M366 HydrophobicContact CD2-SD 4.27Å; L361-M366 HydrophobicContact CG-SD 4.4Å; L361-M366 VanDerWaalsContact O-CB 3.27Å; L361-M366 WeakPolarHBondContact O-CB 3.15Å; L361-M366 PolarHBondContact O-N 3.01Å; L361-A371 HydrophobicContact CB-CB 3.85Å; L361-A371 HydrophobicContact CD1-CB 4.18Å; L361-V375 HydrophobicContact CD1-CG2 3.92Å; L361-I399 HydrophobicContact CD1-CG1 4.36Å; L361-I399 HydrophobicContact CD2-CG2 4.2Å; L361-V402 HydrophobicContact CD2-CB 4.02Å; L361-V402 HydrophobicContact CD2-CG1 3.91Å; L361-L403 HydrophobicContact CD2-CD1 4.08Å; L361-L403 HydrophobicContact CD2-CG 4.09Å; L361-L403 HydrophobicContact CG-CD1 4.13Å
362I98.2Very high97.7Very high46 Ų4660 Ų6024%0.23631%0.306CS..Hα-helixtrans-62.8-42.1176.8-66.1175000111.2L358 L359 A360 K364 G365 M366 R368 A371L358-I362 HydrophobicContact CD2-CD1 3.46Å; L358-I362 VanDerWaalsContact CD2-CD1 3.46Å; L358-I362 HydrophobicContact CD2-CG1 4.3Å; L358-I362 HydrophobicContact CG-CD1 4.48Å; L358-I362 WeakPolarHBondContact O-CG1 3.42Å; L358-I362 PolarHBondContact O-N 2.87Å; L358-I362 VanDerWaalsContact O-N 3.11Å; L359-I362 HydrophobicContact CD2-CD1 4.49Å; L359-I362 PolarHBondContact O-N 3.03Å; A360-I362 PolarHBondContact O-N 2.9Å; I362-K364 PolarHBondContact O-N 3.04Å; I362-K364 VanDerWaalsContact O-N 3.14Å; I362-G365 WeakPolarHBondContact O-CA 3.23Å; I362-G365 PolarHBondContact O-N 2.86Å; I362-M366 WeakPolarHBondContact CA-O 3.41Å; I362-R368 HydrophobicContact CD1-CB 3.83Å; I362-R368 HydrophobicContact CD1-CG 3.87Å; I362-A371 HydrophobicContact CG1-CB 3.95Å
363N97.6Very high97.7Very high137 Ų13764.5 Ų64.573%0.73333%0.33SS*.Hα-helixtrans-63.3-19.1177.9-69.9-20.6000112.9L359 A360 L361L359-N363 WeakPolarHBondContact O-CB 3.33Å; L359-N363 PolarHBondContact O-N 3.4Å; L359-N363 PolarHBondContact O-ND2 3.3Å; A360-N363 PolarHBondContact O-N 2.64Å; L361-N363 VanDerWaalsContact C-N 3.34Å; L361-N363 PolarHBondContact O-N 3.43Å
364K97.6Very high97.6Very high105 Ų10566.2 Ų66.246%0.45734%0.337SS..THydrogen-bonded Turntrans-892.7171.5-65.3-66.9-172.2174.60114.2A360 L361 I362 V402 L403 E407A360-K364 WeakPolarHBondContact O-CG 3.14Å; A360-K364 PolarHBondContact O-N 3.2Å; L361-K364 WeakPolarHBondContact O-CB 3.11Å; L361-K364 PolarHBondContact O-N 2.93Å; L361-K364 VanDerWaalsContact O-N 3.14Å; I362-K364 PolarHBondContact O-N 3.04Å; I362-K364 VanDerWaalsContact O-N 3.14Å; K364-V402 HydrophobicContact CB-CG1 3.45Å; K364-V402 VanDerWaalsContact CB-CG1 3.45Å; K364-V402 HydrophobicContact CG-CG1 3.81Å; K364-L403 HydrophobicContact CG-CD2 3.83Å; K364-E407 VanDerWaalsContact CE-CD 3.42Å; K364-E407 WeakPolarHBondContact CE-OE1 3.45Å; K364-E407 WeakPolarHBondContact CE-OE2 3.36Å; K364-E407 IonicContact NZ-OE1 2.61Å; K364-E407 PolarHBondContact NZ-OE1 3.11Å; K364-E407 IonicContact NZ-OE2 3.35Å; K364-E407 PolarHBondContact NZ-OE2 3.23Å
365G96.8Very high97.6Very high66 Ų6664.8 Ų64.868%0.6833%0.327SS*.THydrogen-bonded Turntrans100.73.9175.300000115.1I362I362-G365 WeakPolarHBondContact O-CA 3.23Å; I362-G365 PolarHBondContact O-N 2.86Å
366M96.9Very high97.7Very high22 Ų2263.8 Ų63.811%0.10832%0.322CS..  trans-70.5139.7175-167.7173.3-75.100110.9L361 I362 E370 A371 K374 V402L361-M366 HydrophobicContact CB-CB 4.33Å; L361-M366 HydrophobicContact CB-SD 4.01Å; L361-M366 HydrophobicContact CD1-SD 4.19Å; L361-M366 HydrophobicContact CD2-CE 4.03Å; L361-M366 HydrophobicContact CD2-SD 4.27Å; L361-M366 HydrophobicContact CG-SD 4.4Å; L361-M366 VanDerWaalsContact O-CB 3.27Å; L361-M366 WeakPolarHBondContact O-CB 3.15Å; L361-M366 PolarHBondContact O-N 3.01Å; I362-M366 WeakPolarHBondContact CA-O 3.41Å; M366-E370 HydrophobicContact CG-CB 3.89Å; M366-E370 HydrophobicContact CG-CG 3.83Å; M366-E370 HydrophobicContact SD-CB 4.34Å; M366-E370 HydrophobicContact SD-CG 3.9Å; M366-A371 HydrophobicContact CB-CB 4.49Å; M366-A371 HydrophobicContact CG-CB 4.09Å; M366-A371 WeakPolarHBondContact SD-CA 3.31Å; M366-A371 HydrophobicContact SD-CB 3.77Å; M366-K374 HydrophobicContact CE-CD 3.71Å; M366-K374 VanDerWaalsContact CE-CE 3.49Å; M366-K374 HydrophobicContact SD-CD 3.66Å; M366-V402 HydrophobicContact CE-CG2 4.21Å
367V97.1Very high97.7Very high95 Ų9565 Ų6558%0.57633%0.334SS*.  trans-68.3144.5174.6-179.70000109.4E369 E370 A371V367-E369 VanDerWaalsContact C-N 3.31Å; V367-E369 PolarHBondContact O-N 3.04Å; V367-E370 WeakPolarHBondContact O-CB 3.4Å; V367-E370 PolarHBondContact O-N 3.44Å; V367-E370 VanDerWaalsContact O-N 3.13Å; V367-A371 PolarHBondContact O-N 2.79Å
368R97.8Very high97.7Very high151 Ų15167 Ų6757%0.5734%0.343SS*.Hα-helixtrans-53.3-44.7-174.6-179.3175.8-172.5861.1113.7I362 A371 Y372I362-R368 HydrophobicContact CD1-CB 3.83Å; I362-R368 HydrophobicContact CD1-CG 3.87Å; R368-A371 PolarHBondContact O-N 2.76Å; R368-Y372 WeakPolarHBondContact O-CB 3.36Å; R368-Y372 PolarHBondContact O-N 2.92Å
369E97.4Very high97.6Very high149 Ų14966.9 Ų66.970%0.69634%0.344SS*.Hα-helixtrans-62.5-46.1-179.9-67.417317600110.6V367 A371 Y372 D373V367-E369 VanDerWaalsContact C-N 3.31Å; V367-E369 PolarHBondContact O-N 3.04Å; E369-A371 PolarHBondContact O-N 3.12Å; E369-Y372 PolarHBondContact O-N 3.31Å; E369-D373 WeakPolarHBondContact O-CB 3.26Å; E369-D373 VanDerWaalsContact O-CG 3.26Å; E369-D373 PolarHBondContact O-N 3.45Å
370E97.2Very high97.6Very high92 Ų9268.3 Ų68.343%0.4335%0.35SS..Hα-helixtrans-60.8-45.3175.6-174.8-172.4172.300112.1M366 V367 Y372 D373 K374M366-E370 HydrophobicContact CG-CB 3.89Å; M366-E370 HydrophobicContact CG-CG 3.83Å; M366-E370 HydrophobicContact SD-CB 4.34Å; M366-E370 HydrophobicContact SD-CG 3.9Å; V367-E370 WeakPolarHBondContact O-CB 3.4Å; V367-E370 PolarHBondContact O-N 3.44Å; V367-E370 VanDerWaalsContact O-N 3.13Å; E370-Y372 VanDerWaalsContact C-N 3.33Å; E370-Y372 PolarHBondContact O-N 2.92Å; E370-D373 PolarHBondContact O-N 3.25Å; E370-K374 HydrophobicContact CG-CD 4.47Å; E370-K374 VanDerWaalsContact O-CG 3.32Å; E370-K374 WeakPolarHBondContact O-CG 3.34Å; E370-K374 PolarHBondContact O-N 2.97Å; E370-K374 VanDerWaalsContact O-N 3.07Å; E370-K374 VanDerWaalsContact OE1-CE 3.29Å; E370-K374 WeakPolarHBondContact OE1-CE 3.4Å; E370-K374 IonicContact OE1-NZ 3.94Å
371A97.9Very high97.6Very high0 Ų070.7 Ų70.70%036%0.36CS..Hα-helixtrans-63.1-40.4177.500000112L358 L361 I362 M366 V367 R368 E369 K374 V375L358-A371 HydrophobicContact CG-CB 4.26Å; L361-A371 HydrophobicContact CB-CB 3.85Å; L361-A371 HydrophobicContact CD1-CB 4.18Å; I362-A371 HydrophobicContact CG1-CB 3.95Å; M366-A371 HydrophobicContact CB-CB 4.49Å; M366-A371 HydrophobicContact CG-CB 4.09Å; M366-A371 WeakPolarHBondContact SD-CA 3.31Å; M366-A371 HydrophobicContact SD-CB 3.77Å; V367-A371 PolarHBondContact O-N 2.79Å; R368-A371 PolarHBondContact O-N 2.76Å; E369-A371 PolarHBondContact O-N 3.12Å; A371-K374 PolarHBondContact O-N 3.19Å; A371-V375 WeakPolarHBondContact O-CG2 3.29Å; A371-V375 PolarHBondContact O-N 3.04Å; A371-V375 VanDerWaalsContact O-N 3.12Å
372Y98.1Very high97.5Very high109 Ų10970.7 Ų70.743%0.42736%0.36SS..Hα-helixtrans-64.4-48.4177-170.8-83.9000111.4L358 R368 E369 E370 K374 V375 Q376L358-Y372 HydrophobicContact CD1-CD2 3.58Å; L358-Y372 HydrophobicContact CD1-CG 4.2Å; R368-Y372 WeakPolarHBondContact O-CB 3.36Å; R368-Y372 PolarHBondContact O-N 2.92Å; E369-Y372 PolarHBondContact O-N 3.31Å; E370-Y372 VanDerWaalsContact C-N 3.33Å; E370-Y372 PolarHBondContact O-N 2.92Å; Y372-K374 PolarHBondContact O-N 3.12Å; Y372-V375 PolarHBondContact O-N 3.11Å; Y372-V375 VanDerWaalsContact O-N 3.1Å; Y372-Q376 HydrophobicContact CD1-CB 4.2Å; Y372-Q376 HydrophobicContact CE1-CB 3.9Å; Y372-Q376 VanDerWaalsContact CE1-CD 3.49Å; Y372-Q376 HydrophobicContact CE1-CG 4.12Å; Y372-Q376 WeakPolarHBondContact O-CB 3.42Å; Y372-Q376 PolarHBondContact O-N 3.12Å; Y372-Q376 PolarHBondContact OH-NE2 2.78Å
373D97.6Very high97.3Very high103 Ų10375.5 Ų75.555%0.55138%0.375SS*.Hα-helixtrans-67.7-19.6-178.3-70.1-12.8000112.7E369 E370 P377E369-D373 WeakPolarHBondContact O-CB 3.26Å; E369-D373 VanDerWaalsContact O-CG 3.26Å; E369-D373 PolarHBondContact O-N 3.45Å; E370-D373 PolarHBondContact O-N 3.25Å; D373-P377 WeakPolarHBondContact O-CD 3.25Å; D373-P377 WeakPolarHBondContact O-CG 3.02Å
374K96.6Very high97.3Very high47 Ų4776.5 Ų76.520%0.20438%0.376CS..Hα-helixtrans-80.2-42.8168.8-72.7177-173.6-60.60112.8M366 E370 A371 Y372 S398 I399M366-K374 HydrophobicContact CE-CD 3.71Å; M366-K374 VanDerWaalsContact CE-CE 3.49Å; M366-K374 HydrophobicContact SD-CD 3.66Å; E370-K374 HydrophobicContact CG-CD 4.47Å; E370-K374 VanDerWaalsContact O-CG 3.32Å; E370-K374 WeakPolarHBondContact O-CG 3.34Å; E370-K374 PolarHBondContact O-N 2.97Å; E370-K374 VanDerWaalsContact O-N 3.07Å; E370-K374 VanDerWaalsContact OE1-CE 3.29Å; E370-K374 WeakPolarHBondContact OE1-CE 3.4Å; E370-K374 IonicContact OE1-NZ 3.94Å; A371-K374 PolarHBondContact O-N 3.19Å; Y372-K374 PolarHBondContact O-N 3.12Å; K374-S398 PolarHBondContact NZ-OG 3.29Å; K374-S398 VanDerWaalsContact NZ-OG 3.11Å; K374-I399 HydrophobicContact CB-CD1 4.48Å; K374-I399 HydrophobicContact CB-CG1 4.47Å
375V98Very high97.3Very high7 Ų775.2 Ų75.24%0.04238%0.376CS..Hα-helixtrans-77.3-41.9-174.5168.40000112.3V357 L358 L361 A371 Y372 K378 A379 F389V357-V375 HydrophobicContact CB-CG2 4.46Å; V357-V375 HydrophobicContact CG1-CG2 3.95Å; L358-V375 HydrophobicContact CB-CG2 4.29Å; L361-V375 HydrophobicContact CD1-CG2 3.92Å; A371-V375 WeakPolarHBondContact O-CG2 3.29Å; A371-V375 PolarHBondContact O-N 3.04Å; A371-V375 VanDerWaalsContact O-N 3.12Å; Y372-V375 PolarHBondContact O-N 3.11Å; Y372-V375 VanDerWaalsContact O-N 3.1Å; V375-K378 PolarHBondContact O-N 3Å; V375-A379 PolarHBondContact O-N 2.96Å; V375-F389 HydrophobicContact CG1-CZ 3.97Å
376Q98Very high97.3Very high80 Ų8079 Ų7937%0.37437%0.374SS..Hα-helixtrans-60.8-46.2-173.4-176.2-169.449.900113.2Y372 K378 A379 M380Y372-Q376 HydrophobicContact CD1-CB 4.2Å; Y372-Q376 HydrophobicContact CE1-CB 3.9Å; Y372-Q376 VanDerWaalsContact CE1-CD 3.49Å; Y372-Q376 HydrophobicContact CE1-CG 4.12Å; Y372-Q376 WeakPolarHBondContact O-CB 3.42Å; Y372-Q376 PolarHBondContact O-N 3.12Å; Y372-Q376 PolarHBondContact OH-NE2 2.78Å; Q376-K378 VanDerWaalsContact C-N 3.27Å; Q376-K378 PolarHBondContact O-N 3.22Å; Q376-A379 WeakPolarHBondContact O-CB 3.46Å; Q376-A379 PolarHBondContact O-N 3.24Å; Q376-A379 VanDerWaalsContact O-N 3.08Å; Q376-M380 HydrophobicContact CG-CG 4.49Å; Q376-M380 WeakPolarHBondContact O-CG 3.33Å; Q376-M380 PolarHBondContact O-N 3.02Å
377P97.7Very high97.3Very high59 Ų5979.8 Ų79.838%0.38338%0.38SS..Hα-helixtrans-59.5-37177.8-26.336.6000112.8D373 A379 M380 I381D373-P377 WeakPolarHBondContact O-CD 3.25Å; D373-P377 WeakPolarHBondContact O-CG 3.02Å; P377-A379 VanDerWaalsContact C-N 3.34Å; P377-M380 PolarHBondContact O-N 3.39Å; P377-I381 VanDerWaalsContact O-CG1 3.25Å; P377-I381 WeakPolarHBondContact O-CG1 3.47Å; P377-I381 PolarHBondContact O-N 2.88Å
378K98Very high97.3Very high42 Ų4278.3 Ų78.318%0.18337%0.373CS..Hα-helixtrans-67.6-36.9175.9-54.7-56.9173167.30112V375 Q376 S382 F389 L392 I393 D396V375-K378 PolarHBondContact O-N 3Å; Q376-K378 VanDerWaalsContact C-N 3.27Å; Q376-K378 PolarHBondContact O-N 3.22Å; K378-S382 WeakPolarHBondContact O-CB 3.46Å; K378-S382 PolarHBondContact O-N 3.12Å; K378-F389 HydrophobicContact CB-CD2 4.3Å; K378-F389 HydrophobicContact CB-CE2 3.84Å; K378-L392 HydrophobicContact CB-CB 4.25Å; K378-L392 HydrophobicContact CD-CB 4.32Å; K378-L392 VanDerWaalsContact O-CD1 3.31Å; K378-L392 WeakPolarHBondContact O-CD1 3.28Å; K378-I393 HydrophobicContact CB-CD1 4.09Å; K378-I393 HydrophobicContact CG-CD1 4.16Å; K378-D396 WeakPolarHBondContact CE-OD2 3.19Å; K378-D396 IonicContact NZ-OD2 3.76Å; K378-D396 PolarHBondContact NZ-OD2 3.14Å
379A97.4Very high97.3Very high11 Ų1171.1 Ų71.19%0.09135%0.346CS..Hα-helixtrans-63.2-43.4173.800000111.6L351 V375 Q376 P377 S382 W383 F389L351-A379 HydrophobicContact CD2-CB 3.54Å; L351-A379 WeakPolarHBondContact CD2-O 3.48Å; V375-A379 PolarHBondContact O-N 2.96Å; Q376-A379 WeakPolarHBondContact O-CB 3.46Å; Q376-A379 PolarHBondContact O-N 3.24Å; Q376-A379 VanDerWaalsContact O-N 3.08Å; P377-A379 VanDerWaalsContact C-N 3.34Å; A379-S382 PolarHBondContact O-N 3.29Å; A379-W383 PolarHBondContact O-N 2.97Å; A379-F389 HydrophobicContact CB-CE2 4.19Å
380M97.1Very high97.3Very high96 Ų9667.6 Ų67.647%0.47333%0.326SS..Hα-helixtrans-65.8-43.6177.5-63.6-57.495.900112Q376 P377 S382 W383 E384Q376-M380 HydrophobicContact CG-CG 4.49Å; Q376-M380 WeakPolarHBondContact O-CG 3.33Å; Q376-M380 PolarHBondContact O-N 3.02Å; P377-M380 PolarHBondContact O-N 3.39Å; M380-S382 PolarHBondContact O-N 3.34Å; M380-W383 WeakPolarHBondContact O-CB 3.31Å; M380-W383 PolarHBondContact O-N 3.43Å; M380-E384 WeakPolarHBondContact O-CG 3.28Å; M380-E384 PolarHBondContact O-N 2.9Å
381I97.7Very high97.3Very high68 Ų6867.2 Ų67.235%0.34932%0.324SS..Hα-helixtrans-59.3-49.7174.9-66.8163000110.1P377 W383 E384 T385 L392P377-I381 VanDerWaalsContact O-CG1 3.25Å; P377-I381 WeakPolarHBondContact O-CG1 3.47Å; P377-I381 PolarHBondContact O-N 2.88Å; I381-W383 PolarHBondContact O-N 3.44Å; I381-E384 PolarHBondContact O-N 3.36Å; I381-T385 HydrophobicContact CG2-CG2 4.08Å; I381-T385 WeakPolarHBondContact O-CB 3.32Å; I381-T385 PolarHBondContact O-N 3.35Å; I381-T385 PolarHBondContact O-OG1 3.48Å; I381-L392 HydrophobicContact CB-CD1 3.98Å; I381-L392 HydrophobicContact CG2-CD1 3.71Å; I381-L392 HydrophobicContact CG2-CD2 3.89Å; I381-L392 HydrophobicContact CG2-CG 4.49Å
382S97.4Very high97.3Very high0 Ų068 Ų680%033%0.328CS..Hα-helixtrans-53.7-40.7177.2-179.30000112.1K378 A379 M380 K386 T387 F389 L392K378-S382 WeakPolarHBondContact O-CB 3.46Å; K378-S382 PolarHBondContact O-N 3.12Å; A379-S382 PolarHBondContact O-N 3.29Å; M380-S382 PolarHBondContact O-N 3.34Å; S382-K386 WeakPolarHBondContact O-CA 3.44Å; S382-K386 PolarHBondContact O-N 3.11Å; S382-T387 WeakPolarHBondContact CA-O 3.46Å; S382-T387 WeakPolarHBondContact CB-O 3.47Å; S382-T387 PolarHBondContact O-N 3.34Å; S382-T387 PolarHBondContact OG-O 3.49Å; S382-F389 PolarHBondContact OG-N 3.39Å; S382-L392 VanDerWaalsContact N-CD1 3.31Å
383W94.4Very high97.3Very high147 Ų14762.9 Ų62.956%0.55731%0.308SS*.Hα-helixtrans-68.3-47179.3-165.3-113.9000113T348 L351 A379 M380 I381T348-W383 HydrophobicContact CG2-CH2 4.09Å; T348-W383 HydrophobicContact CG2-CZ3 3.69Å; L351-W383 HydrophobicContact CD1-CB 4.26Å; L351-W383 HydrophobicContact CD1-CD2 4.3Å; L351-W383 HydrophobicContact CD1-CE3 3.45Å; L351-W383 VanDerWaalsContact CD1-CE3 3.45Å; L351-W383 HydrophobicContact CD1-CZ3 4.12Å; A379-W383 PolarHBondContact O-N 2.97Å; M380-W383 WeakPolarHBondContact O-CB 3.31Å; M380-W383 PolarHBondContact O-N 3.43Å; I381-W383 PolarHBondContact O-N 3.44Å
384E97Very high97.3Very high158 Ų15861.9 Ų61.974%0.73830%0.3SS*.Hα-helixtrans-73.1-39-176.8-69.9177.6177.600112.5M380 I381M380-E384 WeakPolarHBondContact O-CG 3.28Å; M380-E384 PolarHBondContact O-N 2.9Å; I381-E384 PolarHBondContact O-N 3.36Å
385T97.3Very high97.3Very high77 Ų7765.7 Ų65.747%0.47232%0.319SS..Hα-helixtrans-96.6-9.9-175.870.20000113.5I381 T387I381-T385 HydrophobicContact CG2-CG2 4.08Å; I381-T385 WeakPolarHBondContact O-CB 3.32Å; I381-T385 PolarHBondContact O-N 3.35Å; I381-T385 PolarHBondContact O-OG1 3.48Å; T385-T387 PolarHBondContact O-N 3.07Å; T385-T387 WeakPolarHBondContact OG1-CB 3.47Å; T385-T387 PolarHBondContact OG1-N 3.46Å; T385-T387 PolarHBondContact OG1-OG1 2.95Å
386K96.5Very high97.2Very high147 Ų14766.6 Ų66.664%0.63932%0.323SS*.  trans5926.9-173.1-54.2-178.6-1781780113.2F349 S382F349-K386 HydrophobicContact CE1-CB 3.87Å; F349-K386 HydrophobicContact CE1-CG 4.47Å; F349-K386 HydrophobicContact CE2-CB 3.85Å; F349-K386 HydrophobicContact CE2-CG 3.82Å; F349-K386 HydrophobicContact CZ-CB 3.48Å; F349-K386 VanDerWaalsContact CZ-CB 3.48Å; F349-K386 HydrophobicContact CZ-CD 4.03Å; F349-K386 HydrophobicContact CZ-CG 3.62Å; S382-K386 WeakPolarHBondContact O-CA 3.44Å; S382-K386 PolarHBondContact O-N 3.11Å
387T97.1Very high97.1Very high37 Ų3770.5 Ų70.523%0.22734%0.342CS..  trans-81.5135.9174.9-56.60000109.2S382 T385 F389 E391 L392S382-T387 WeakPolarHBondContact CA-O 3.46Å; S382-T387 WeakPolarHBondContact CB-O 3.47Å; S382-T387 PolarHBondContact O-N 3.34Å; S382-T387 PolarHBondContact OG-O 3.49Å; T385-T387 PolarHBondContact O-N 3.07Å; T385-T387 WeakPolarHBondContact OG1-CB 3.47Å; T385-T387 PolarHBondContact OG1-N 3.46Å; T385-T387 PolarHBondContact OG1-OG1 2.95Å; T387-F389 PolarHBondContact O-N 3.13Å; T387-E391 HydrophobicContact CG2-CB 4.45Å; T387-L392 HydrophobicContact CG2-CD1 4.43Å; T387-L392 HydrophobicContact CG2-CD2 3.98Å; T387-L392 HydrophobicContact CG2-CG 3.94Å
388P97.5Very high97Very high65 Ų6569.5 Ų69.542%0.42234%0.336SS..  trans-49.2124.3173.1-28.436.5000112R390 E391 L392P388-R390 PolarHBondContact O-N 3.21Å; P388-E391 HydrophobicContact CB-CB 4.28Å; P388-E391 WeakPolarHBondContact O-CB 3.34Å; P388-E391 PolarHBondContact O-N 3.21Å; P388-L392 PolarHBondContact O-N 2.9Å
389F98Very high97Very high0 Ų067.5 Ų67.50%033%0.327CS..Hα-helixtrans-56.3-38.3-178.6175.9-118000111.6F349 L351 V357 V375 K378 A379 S382 T387 E391 L392 I393 F412F349-F389 VanDerWaalsContact O-CB 3.26Å; F349-F389 WeakPolarHBondContact O-CB 3.36Å; F349-F389 PolarHBondContact O-N 3.39Å; L351-F389 HydrophobicContact CD2-CB 4.04Å; L351-F389 HydrophobicContact CD2-CD2 3.78Å; L351-F389 HydrophobicContact CD2-CE2 4.44Å; L351-F389 HydrophobicContact CD2-CG 3.92Å; L351-F389 HydrophobicContact CG-CB 4.36Å; V357-F389 HydrophobicContact CG2-CE1 4.14Å; V375-F389 HydrophobicContact CG1-CZ 3.97Å; K378-F389 HydrophobicContact CB-CD2 4.3Å; K378-F389 HydrophobicContact CB-CE2 3.84Å; A379-F389 HydrophobicContact CB-CE2 4.19Å; S382-F389 PolarHBondContact OG-N 3.39Å; T387-F389 PolarHBondContact O-N 3.13Å; F389-E391 VanDerWaalsContact C-N 3.31Å; F389-E391 PolarHBondContact O-N 3.05Å; F389-L392 PolarHBondContact O-N 2.87Å; F389-I393 HydrophobicContact CD1-CG1 4.34Å; F389-I393 HydrophobicContact CD2-CG1 4.23Å; F389-I393 HydrophobicContact CE1-CD1 4.31Å; F389-I393 HydrophobicContact CE1-CG1 3.9Å; F389-I393 HydrophobicContact CE2-CD1 3.73Å; F389-I393 HydrophobicContact CE2-CG1 3.82Å; F389-I393 HydrophobicContact CG-CG1 4.47Å; F389-I393 HydrophobicContact CZ-CD1 3.56Å; F389-I393 HydrophobicContact CZ-CG1 3.61Å; F389-I393 WeakPolarHBondContact O-CG1 3.26Å; F389-I393 PolarHBondContact O-N 3.37Å; F389-I393 VanDerWaalsContact O-N 3.07Å; F389-F412 AromaticContact CD1-CE1 3.7Å; F389-F412 HydrophobicContact CD1-CE1 3.7Å; F389-F412 AromaticContact CD1-CZ 3.51Å; F389-F412 HydrophobicContact CD1-CZ 3.51Å; F389-F412 HydrophobicContact CE1-CE1 4.36Å; F389-F412 AromaticContact CE1-CZ 3.81Å; F389-F412 HydrophobicContact CE1-CZ 3.81Å; F389-F412 HydrophobicContact CG-CZ 4.48Å
390R97.5Very high96.9Very high74 Ų7469.5 Ų69.528%0.27934%0.339SS..Hα-helixtrans-56-43.2175.2-176.8171.7167.9152.15.7113P388 L392 I393 E394 D409 F412P388-R390 PolarHBondContact O-N 3.21Å; R390-L392 PolarHBondContact O-N 3.1Å; R390-I393 PolarHBondContact O-N 3.49Å; R390-E394 HydrophobicContact CG-CG 4.45Å; R390-E394 IonicContact CZ-OE1 3.09Å; R390-E394 IonicContact NE-OE1 2.76Å; R390-E394 PolarHBondContact NE-OE1 3.14Å; R390-E394 IonicContact NH2-OE1 2.64Å; R390-E394 PolarHBondContact NH2-OE1 3.01Å; R390-E394 WeakPolarHBondContact O-CG 3.44Å; R390-E394 PolarHBondContact O-N 3.36Å; R390-D409 IonicContact CZ-OD1 3.2Å; R390-D409 IonicContact NH1-OD1 3.73Å; R390-D409 PolarHBondContact NH1-OD1 3.01Å; R390-D409 IonicContact NH2-OD1 3.14Å; R390-D409 PolarHBondContact NH2-OD1 3.07Å; R390-F412 HydrophobicContact CB-CD1 4.01Å; R390-F412 HydrophobicContact CB-CE1 3.6Å; R390-F412 HydrophobicContact CB-CE2 4.19Å; R390-F412 HydrophobicContact CB-CG 4.48Å; R390-F412 HydrophobicContact CB-CZ 3.7Å; R390-F412 HydrophobicContact CG-CD1 4.48Å; R390-F412 HydrophobicContact CG-CD2 4.31Å; R390-F412 HydrophobicContact CG-CE1 4.35Å; R390-F412 HydrophobicContact CG-CE2 4.17Å; R390-F412 HydrophobicContact CG-CG 4.48Å; R390-F412 HydrophobicContact CG-CZ 4.19Å
391E97.4Very high96.9Very high85 Ų8569.5 Ų69.540%0.39735%0.348SS..Hα-helixtrans-63.4-42.9179.4-178.8-175160.300111T387 P388 F389 I393 E394 Q395T387-E391 HydrophobicContact CG2-CB 4.45Å; P388-E391 HydrophobicContact CB-CB 4.28Å; P388-E391 WeakPolarHBondContact O-CB 3.34Å; P388-E391 PolarHBondContact O-N 3.21Å; F389-E391 VanDerWaalsContact C-N 3.31Å; F389-E391 PolarHBondContact O-N 3.05Å; E391-I393 VanDerWaalsContact C-N 3.28Å; E391-I393 PolarHBondContact O-N 3.38Å; E391-E394 PolarHBondContact O-N 3.23Å; E391-Q395 VanDerWaalsContact CG-NE2 3.33Å; E391-Q395 VanDerWaalsContact O-CG 3.27Å; E391-Q395 WeakPolarHBondContact O-CG 2.76Å; E391-Q395 PolarHBondContact O-N 3.13Å; E391-Q395 PolarHBondContact OE1-NE2 3.42Å; E391-Q395 VanDerWaalsContact OE1-NE2 3.11Å
392L97.8Very high96.9Very high17 Ų1768.5 Ų68.59%0.08935%0.345CS..Hα-helixtrans-66.4-30.1178.2-64.6172.9000113K378 I381 S382 T387 P388 F389 R390K378-L392 HydrophobicContact CB-CB 4.25Å; K378-L392 HydrophobicContact CD-CB 4.32Å; K378-L392 VanDerWaalsContact O-CD1 3.31Å; K378-L392 WeakPolarHBondContact O-CD1 3.28Å; I381-L392 HydrophobicContact CB-CD1 3.98Å; I381-L392 HydrophobicContact CG2-CD1 3.71Å; I381-L392 HydrophobicContact CG2-CD2 3.89Å; I381-L392 HydrophobicContact CG2-CG 4.49Å; S382-L392 VanDerWaalsContact N-CD1 3.31Å; T387-L392 HydrophobicContact CG2-CD1 4.43Å; T387-L392 HydrophobicContact CG2-CD2 3.98Å; T387-L392 HydrophobicContact CG2-CG 3.94Å; P388-L392 PolarHBondContact O-N 2.9Å; F389-L392 PolarHBondContact O-N 2.87Å; R390-L392 PolarHBondContact O-N 3.1Å
393I97.9Very high96.9Very high0 Ų068.7 Ų68.70%035%0.346CS..Hα-helixtrans-73.6-44.6174.3-66.1-63.6000110.8V357 K378 F389 R390 E391 Q395 D396 I399 L408V357-I393 HydrophobicContact CG1-CD1 4.19Å; V357-I393 HydrophobicContact CG1-CG2 4.33Å; K378-I393 HydrophobicContact CB-CD1 4.09Å; K378-I393 HydrophobicContact CG-CD1 4.16Å; F389-I393 HydrophobicContact CD1-CG1 4.34Å; F389-I393 HydrophobicContact CD2-CG1 4.23Å; F389-I393 HydrophobicContact CE1-CD1 4.31Å; F389-I393 HydrophobicContact CE1-CG1 3.9Å; F389-I393 HydrophobicContact CE2-CD1 3.73Å; F389-I393 HydrophobicContact CE2-CG1 3.82Å; F389-I393 HydrophobicContact CG-CG1 4.47Å; F389-I393 HydrophobicContact CZ-CD1 3.56Å; F389-I393 HydrophobicContact CZ-CG1 3.61Å; F389-I393 WeakPolarHBondContact O-CG1 3.26Å; F389-I393 PolarHBondContact O-N 3.37Å; F389-I393 VanDerWaalsContact O-N 3.07Å; R390-I393 PolarHBondContact O-N 3.49Å; E391-I393 VanDerWaalsContact C-N 3.28Å; E391-I393 PolarHBondContact O-N 3.38Å; I393-Q395 PolarHBondContact O-N 3.05Å; I393-D396 PolarHBondContact O-N 3.31Å; I393-D396 VanDerWaalsContact O-N 3.13Å; I393-I399 HydrophobicContact CD1-CD1 3.49Å; I393-I399 VanDerWaalsContact CD1-CD1 3.49Å; I393-I399 HydrophobicContact CG2-CD1 4.43Å; I393-I399 HydrophobicContact CG2-CG2 3.77Å; I393-L408 HydrophobicContact CG2-CD1 4.24Å; I393-L408 HydrophobicContact CG2-CD2 3.64Å
394E97.3Very high97Very high83 Ų8364.9 Ų64.939%0.38834%0.339SS..Hα-helixtrans-64.6-24.8177.8-73.2174.9170.800112.7R390 E391 T400 L408R390-E394 HydrophobicContact CG-CG 4.45Å; R390-E394 IonicContact CZ-OE1 3.09Å; R390-E394 IonicContact NE-OE1 2.76Å; R390-E394 PolarHBondContact NE-OE1 3.14Å; R390-E394 IonicContact NH2-OE1 2.64Å; R390-E394 PolarHBondContact NH2-OE1 3.01Å; R390-E394 WeakPolarHBondContact O-CG 3.44Å; R390-E394 PolarHBondContact O-N 3.36Å; E391-E394 PolarHBondContact O-N 3.23Å; E394-T400 WeakPolarHBondContact O-CG2 3.36Å; E394-L408 HydrophobicContact CG-CD1 4.31Å
395Q96.4Very high97Very high126 Ų12663.7 Ų63.759%0.58933%0.331SS*.THydrogen-bonded Turntrans-85.1-9.7175.6-70.5171.3900114.2E391 I393E391-Q395 VanDerWaalsContact CG-NE2 3.33Å; E391-Q395 VanDerWaalsContact O-CG 3.27Å; E391-Q395 WeakPolarHBondContact O-CG 2.76Å; E391-Q395 PolarHBondContact O-N 3.13Å; E391-Q395 PolarHBondContact OE1-NE2 3.42Å; E391-Q395 VanDerWaalsContact OE1-NE2 3.11Å; I393-Q395 PolarHBondContact O-N 3.05Å
396D96.4Very high96.9Very high26 Ų2665.6 Ų65.614%0.13934%0.335CS..  trans-94.2104179.7-164.3-55.5000111.4K378 I393 S398 I399 T400K378-D396 WeakPolarHBondContact CE-OD2 3.19Å; K378-D396 IonicContact NZ-OD2 3.76Å; K378-D396 PolarHBondContact NZ-OD2 3.14Å; I393-D396 PolarHBondContact O-N 3.31Å; I393-D396 VanDerWaalsContact O-N 3.13Å; D396-S398 PolarHBondContact O-N 2.72Å; D396-S398 VanDerWaalsContact O-N 3.14Å; D396-S398 WeakPolarHBondContact OD1-CA 3.32Å; D396-S398 WeakPolarHBondContact OD1-CB 3.44Å; D396-S398 PolarHBondContact OD1-N 3.28Å; D396-S398 PolarHBondContact OD1-OG 2.58Å; D396-I399 HydrophobicContact CB-CB 4.4Å; D396-I399 HydrophobicContact CB-CD1 4.2Å; D396-I399 HydrophobicContact CB-CG1 4.26Å; D396-I399 PolarHBondContact O-N 3.24Å; D396-I399 PolarHBondContact OD1-N 2.66Å; D396-T400 PolarHBondContact O-N 3.41Å; D396-T400 PolarHBondContact O-OG1 3.27Å
397E96.2Very high97Very high163 Ų16361 Ų6176%0.76232%0.315SS*.Hα-helixtrans-56.7-29177.9-68.6-173.9173.400113.3I399 T400 S401E397-I399 PolarHBondContact O-N 3.32Å; E397-T400 WeakPolarHBondContact CA-OG1 3.42Å; E397-S401 WeakPolarHBondContact O-CB 3.41Å; E397-S401 PolarHBondContact O-N 3.37Å; E397-S401 PolarHBondContact O-OG 2.81Å
398S94.6Very high97Very high37 Ų3759.4 Ų59.426%0.25931%0.306SS..Hα-helixtrans-74.2-11.8178.284.80000113.5K374 D396K374-S398 PolarHBondContact NZ-OG 3.29Å; K374-S398 VanDerWaalsContact NZ-OG 3.11Å; D396-S398 PolarHBondContact O-N 2.72Å; D396-S398 VanDerWaalsContact O-N 3.14Å; D396-S398 WeakPolarHBondContact OD1-CA 3.32Å; D396-S398 WeakPolarHBondContact OD1-CB 3.44Å; D396-S398 PolarHBondContact OD1-N 3.28Å; D396-S398 PolarHBondContact OD1-OG 2.58Å
399I97Very high96.9Very high0 Ų059.5 Ų59.50%030%0.302CS..Hα-helixtrans-101.9-46.3171.4-60.7176.8000110.3V357 L361 K374 I393 D396 E397 S401 V402 L403V357-I399 HydrophobicContact CG1-CG2 4.49Å; L361-I399 HydrophobicContact CD1-CG1 4.36Å; L361-I399 HydrophobicContact CD2-CG2 4.2Å; K374-I399 HydrophobicContact CB-CD1 4.48Å; K374-I399 HydrophobicContact CB-CG1 4.47Å; I393-I399 HydrophobicContact CD1-CD1 3.49Å; I393-I399 VanDerWaalsContact CD1-CD1 3.49Å; I393-I399 HydrophobicContact CG2-CD1 4.43Å; I393-I399 HydrophobicContact CG2-CG2 3.77Å; D396-I399 HydrophobicContact CB-CB 4.4Å; D396-I399 HydrophobicContact CB-CD1 4.2Å; D396-I399 HydrophobicContact CB-CG1 4.26Å; D396-I399 PolarHBondContact O-N 3.24Å; D396-I399 PolarHBondContact OD1-N 2.66Å; E397-I399 PolarHBondContact O-N 3.32Å; I399-S401 VanDerWaalsContact C-N 3.29Å; I399-S401 PolarHBondContact O-N 3.01Å; I399-V402 PolarHBondContact O-N 2.81Å; I399-L403 HydrophobicContact CG2-CD1 4.12Å; I399-L403 PolarHBondContact O-N 2.64Å
400T96.9Very high96.9Very high54 Ų5465.6 Ų65.633%0.33133%0.331SS..Hα-helixtrans-73.8-15.7-177.457.50000114.2E394 D396 E397 V402 L408E394-T400 WeakPolarHBondContact O-CG2 3.36Å; D396-T400 PolarHBondContact O-N 3.41Å; D396-T400 PolarHBondContact O-OG1 3.27Å; E397-T400 WeakPolarHBondContact CA-OG1 3.42Å; T400-V402 VanDerWaalsContact C-N 3.25Å; T400-L408 HydrophobicContact CG2-CD1 4.26Å
401S96.6Very high96.9Very high95 Ų9562.4 Ų62.466%0.66432%0.32SS*.THydrogen-bonded Turntrans-73.8-15.8166.756.60000113.6E397 I399E397-S401 WeakPolarHBondContact O-CB 3.41Å; E397-S401 PolarHBondContact O-N 3.37Å; E397-S401 PolarHBondContact O-OG 2.81Å; I399-S401 VanDerWaalsContact C-N 3.29Å; I399-S401 PolarHBondContact O-N 3.01Å
402V97Very high96.8Very high47 Ų4759.5 Ų59.529%0.28531%0.306SS..THydrogen-bonded Turntrans-107.9-38.8-176.4-179.90000111.9L361 K364 M366 I399 T400L361-V402 HydrophobicContact CD2-CB 4.02Å; L361-V402 HydrophobicContact CD2-CG1 3.91Å; K364-V402 HydrophobicContact CB-CG1 3.45Å; K364-V402 VanDerWaalsContact CB-CG1 3.45Å; K364-V402 HydrophobicContact CG-CG1 3.81Å; M366-V402 HydrophobicContact CE-CG2 4.21Å; I399-V402 PolarHBondContact O-N 2.81Å; T400-V402 VanDerWaalsContact C-N 3.25Å
403L97.6Very high96.7Very high5 Ų561.7 Ų61.73%0.02632%0.318CS..SBendtrans-109.6132.3-178.9-61.3178.8000111.3V357 A360 L361 K364 I399 E407 L408V357-L403 HydrophobicContact CG1-CD1 4.46Å; A360-L403 HydrophobicContact CB-CD1 3.84Å; A360-L403 HydrophobicContact CB-CD2 3.79Å; L361-L403 HydrophobicContact CD2-CD1 4.08Å; L361-L403 HydrophobicContact CD2-CG 4.09Å; L361-L403 HydrophobicContact CG-CD1 4.13Å; K364-L403 HydrophobicContact CG-CD2 3.83Å; I399-L403 HydrophobicContact CG2-CD1 4.12Å; I399-L403 PolarHBondContact O-N 2.64Å; L403-E407 WeakPolarHBondContact CA-OE2 3.33Å; L403-E407 HydrophobicContact CB-CB 4.44Å; L403-E407 HydrophobicContact CD2-CB 4.46Å; L403-L408 HydrophobicContact CB-CD2 4.19Å; L403-L408 HydrophobicContact CB-CG 4.13Å; L403-L408 HydrophobicContact CD1-CD2 3.79Å
404T96.9Very high96.5Very high66 Ų6662.8 Ų62.841%0.40533%0.325SS..  trans-72.2167.1172.3830000111.2E406 E407 L408T404-E406 VanDerWaalsContact C-N 3.26Å; T404-E406 WeakPolarHBondContact CB-OE2 3.2Å; T404-E406 PolarHBondContact O-N 3.27Å; T404-E406 PolarHBondContact OG1-N 3.45Å; T404-E406 PolarHBondContact OG1-OE2 3.19Å; T404-E407 PolarHBondContact N-OE2 2.6Å; T404-E407 PolarHBondContact O-N 3.47Å; T404-E407 PolarHBondContact OG1-N 3.36Å; T404-L408 PolarHBondContact O-N 3.14Å
405K96.2Very high96.3Very high133 Ų13365.5 Ų65.558%0.57834%0.336SS*.Hα-helixtrans-59-40.6175.5-175.1179.1177.3-178.50111.8L408 D409K405-L408 PolarHBondContact O-N 3.06Å; K405-D409 PolarHBondContact O-N 3.49Å
406E96.8Very high96.3Very high118 Ų11863.7 Ų63.755%0.55133%0.327SS*.Hα-helixtrans-65.8-39.9179.1-60.970.4-15300111.3T404 L408 D409 E410T404-E406 VanDerWaalsContact C-N 3.26Å; T404-E406 WeakPolarHBondContact CB-OE2 3.2Å; T404-E406 PolarHBondContact O-N 3.27Å; T404-E406 PolarHBondContact OG1-N 3.45Å; T404-E406 PolarHBondContact OG1-OE2 3.19Å; E406-L408 VanDerWaalsContact C-N 3.33Å; E406-L408 PolarHBondContact O-N 2.89Å; E406-D409 WeakPolarHBondContact O-CB 3.37Å; E406-D409 PolarHBondContact O-N 3.29Å; E406-E410 WeakPolarHBondContact O-CG 3.5Å; E406-E410 PolarHBondContact O-N 3.23Å
407E97.3Very high96.2Very high50 Ų5064.1 Ų64.123%0.23433%0.328CS..Hα-helixtrans-66.7-36.1176.1-65.9177143.800111.8K364 L403 T404 C411K364-E407 VanDerWaalsContact CE-CD 3.42Å; K364-E407 WeakPolarHBondContact CE-OE1 3.45Å; K364-E407 WeakPolarHBondContact CE-OE2 3.36Å; K364-E407 IonicContact NZ-OE1 2.61Å; K364-E407 PolarHBondContact NZ-OE1 3.11Å; K364-E407 IonicContact NZ-OE2 3.35Å; K364-E407 PolarHBondContact NZ-OE2 3.23Å; L403-E407 WeakPolarHBondContact CA-OE2 3.33Å; L403-E407 HydrophobicContact CB-CB 4.44Å; L403-E407 HydrophobicContact CD2-CB 4.46Å; T404-E407 PolarHBondContact N-OE2 2.6Å; T404-E407 PolarHBondContact O-N 3.47Å; T404-E407 PolarHBondContact OG1-N 3.36Å; E407-C411 PolarHBondContact O-N 3.28Å; E407-C411 VanDerWaalsContact O-N 3.12Å; E407-C411 PolarHBondContact O-SG 3.14Å
408L97Very high96.2Very high4 Ų458.3 Ų58.32%0.02130%0.302CS..Hα-helixtrans-67.5-44.4170.5-70.2176.5000111.3I393 E394 T400 L403 T404 K405 E406 E410 C411 F412I393-L408 HydrophobicContact CG2-CD1 4.24Å; I393-L408 HydrophobicContact CG2-CD2 3.64Å; E394-L408 HydrophobicContact CG-CD1 4.31Å; T400-L408 HydrophobicContact CG2-CD1 4.26Å; L403-L408 HydrophobicContact CB-CD2 4.19Å; L403-L408 HydrophobicContact CB-CG 4.13Å; L403-L408 HydrophobicContact CD1-CD2 3.79Å; T404-L408 PolarHBondContact O-N 3.14Å; K405-L408 PolarHBondContact O-N 3.06Å; E406-L408 VanDerWaalsContact C-N 3.33Å; E406-L408 PolarHBondContact O-N 2.89Å; L408-E410 VanDerWaalsContact C-N 3.26Å; L408-E410 PolarHBondContact O-N 3.48Å; L408-C411 WeakPolarHBondContact O-CB 3.29Å; L408-C411 PolarHBondContact O-N 2.89Å; L408-F412 VanDerWaalsContact O-CD2 3.32Å; L408-F412 WeakPolarHBondContact O-CD2 3.45Å; L408-F412 PolarHBondContact O-N 3.11Å
409D96.8Very high96.3Very high66 Ų6661.4 Ų61.435%0.35332%0.315SS..Hα-helixtrans-54-45.2174.2-80.3-37.4000111.2R390 K405 E406 C411 F412 D413R390-D409 IonicContact CZ-OD1 3.2Å; R390-D409 IonicContact NH1-OD1 3.73Å; R390-D409 PolarHBondContact NH1-OD1 3.01Å; R390-D409 IonicContact NH2-OD1 3.14Å; R390-D409 PolarHBondContact NH2-OD1 3.07Å; K405-D409 PolarHBondContact O-N 3.49Å; E406-D409 WeakPolarHBondContact O-CB 3.37Å; E406-D409 PolarHBondContact O-N 3.29Å; D409-C411 PolarHBondContact O-N 3.31Å; D409-F412 PolarHBondContact O-N 3.05Å; D409-D413 PolarHBondContact O-N 3.38Å
410E96.5Very high96.3Very high129 Ų12967.1 Ų67.160%0.60334%0.342SS*.Hα-helixtrans-60.8-42.4176.1-76.1-175.6-175.300112.2R356 E406 L408 F412 D413R356-E410 PolarHBondContact NH1-O 3.42Å; R356-E410 PolarHBondContact NH2-O 2.85Å; E406-E410 WeakPolarHBondContact O-CG 3.5Å; E406-E410 PolarHBondContact O-N 3.23Å; L408-E410 VanDerWaalsContact C-N 3.26Å; L408-E410 PolarHBondContact O-N 3.48Å; E410-F412 VanDerWaalsContact C-N 3.25Å; E410-F412 PolarHBondContact O-N 3.3Å; E410-D413 PolarHBondContact O-N 2.95Å
411C97.3Very high96.4Very high6 Ų664.7 Ų64.74%0.04133%0.327CS..Hα-helixtrans-59.2-35.4179.2-71.30000113F353 R356 V357 E407 L408 D409F353-C411 VanDerWaalsContact CD1-O 3.28Å; F353-C411 WeakPolarHBondContact CD1-O 3.32Å; R356-C411 HydrophobicContact CB-CB 4.15Å; R356-C411 WeakPolarHBondContact CD-O 3.27Å; R356-C411 PolarHBondContact NH1-O 2.86Å; V357-C411 HydrophobicContact CG2-CB 4.03Å; E407-C411 PolarHBondContact O-N 3.28Å; E407-C411 VanDerWaalsContact O-N 3.12Å; E407-C411 PolarHBondContact O-SG 3.14Å; L408-C411 WeakPolarHBondContact O-CB 3.29Å; L408-C411 PolarHBondContact O-N 2.89Å; D409-C411 PolarHBondContact O-N 3.31Å
412F97Very high96.4Very high24 Ų2463.8 Ų63.811%0.10532%0.315CS..THydrogen-bonded Turntrans-93.34-178.3-73.2-96.2000113.7F353 V357 F389 R390 L408 D409 E410 P414F353-F412 HydrophobicContact CB-CD1 3.92Å; F353-F412 HydrophobicContact CB-CE1 4.04Å; F353-F412 HydrophobicContact CB-CG 4.3Å; F353-F412 HydrophobicContact CD2-CB 4.35Å; F353-F412 AromaticContact CD2-CD1 3.43Å; F353-F412 HydrophobicContact CD2-CD1 3.43Å; F353-F412 VanDerWaalsContact CD2-CD1 3.43Å; F353-F412 HydrophobicContact CD2-CE1 4.05Å; F353-F412 HydrophobicContact CD2-CG 4.16Å; F353-F412 HydrophobicContact CE2-CD1 4.22Å; F353-F412 AromaticContact CG-CD1 3.93Å; F353-F412 HydrophobicContact CG-CD1 3.93Å; F353-F412 HydrophobicContact CG-CE1 4.46Å; F353-F412 HydrophobicContact CG-CG 4.34Å; F353-F412 WeakPolarHBondContact CZ-O 3.48Å; V357-F412 HydrophobicContact CG2-CE2 3.78Å; V357-F412 HydrophobicContact CG2-CZ 4.19Å; F389-F412 AromaticContact CD1-CE1 3.7Å; F389-F412 HydrophobicContact CD1-CE1 3.7Å; F389-F412 AromaticContact CD1-CZ 3.51Å; F389-F412 HydrophobicContact CD1-CZ 3.51Å; F389-F412 HydrophobicContact CE1-CE1 4.36Å; F389-F412 AromaticContact CE1-CZ 3.81Å; F389-F412 HydrophobicContact CE1-CZ 3.81Å; F389-F412 HydrophobicContact CG-CZ 4.48Å; R390-F412 HydrophobicContact CB-CD1 4.01Å; R390-F412 HydrophobicContact CB-CE1 3.6Å; R390-F412 HydrophobicContact CB-CE2 4.19Å; R390-F412 HydrophobicContact CB-CG 4.48Å; R390-F412 HydrophobicContact CB-CZ 3.7Å; R390-F412 HydrophobicContact CG-CD1 4.48Å; R390-F412 HydrophobicContact CG-CD2 4.31Å; R390-F412 HydrophobicContact CG-CE1 4.35Å; R390-F412 HydrophobicContact CG-CE2 4.17Å; R390-F412 HydrophobicContact CG-CG 4.48Å; R390-F412 HydrophobicContact CG-CZ 4.19Å; L408-F412 VanDerWaalsContact O-CD2 3.32Å; L408-F412 WeakPolarHBondContact O-CD2 3.45Å; L408-F412 PolarHBondContact O-N 3.11Å; D409-F412 PolarHBondContact O-N 3.05Å; E410-F412 VanDerWaalsContact C-N 3.25Å; E410-F412 PolarHBondContact O-N 3.3Å; F412-P414 VanDerWaalsContact O-CD 3.26Å; F412-P414 WeakPolarHBondContact O-CD 3.27Å
413D95.3Very high96.5Very high64 Ų6463.8 Ų63.834%0.34232%0.315SS..  trans-78.1113.8173.7-172.7-4.3000111.5R356 D409 E410 K415 H416R356-D413 PolarHBondContact NH1-O 3.26Å; D409-D413 PolarHBondContact O-N 3.38Å; E410-D413 PolarHBondContact O-N 2.95Å; D413-K415 PolarHBondContact O-N 2.86Å; D413-K415 VanDerWaalsContact OD1-CB 3.28Å; D413-K415 WeakPolarHBondContact OD1-CB 3.47Å; D413-K415 VanDerWaalsContact OD1-CG 3.32Å; D413-K415 WeakPolarHBondContact OD1-CG 3.49Å; D413-K415 PolarHBondContact OD1-N 3.24Å; D413-H416 PolarHBondContact O-N 2.95Å
414P93Very high96.5Very high23 Ų2367.1 Ų67.115%0.14933%0.332CS..G310 helixtrans-63.8-22.517726-34.6000113.7L135 F353 F412 H416 H417L135-P414 HydrophobicContact CD2-CB 3.71Å; L135-P414 HydrophobicContact CD2-CG 4.42Å; F353-P414 HydrophobicContact CZ-CB 4.28Å; F412-P414 VanDerWaalsContact O-CD 3.26Å; F412-P414 WeakPolarHBondContact O-CD 3.27Å; P414-H416 PolarHBondContact O-N 2.76Å; P414-H416 VanDerWaalsContact O-N 3.14Å; P414-H417 PolarHBondContact O-N 3.21Å; P414-H417 VanDerWaalsContact O-N 3.1Å; P414-H417 PolarHBondContact O-ND1 3.25Å
415K93.4Very high96.6Very high140 Ų14064 Ų6461%0.60931%0.313SS*.G310 helixtrans-59.3-26.6-179.8-68177.3-179.21760112.8D413 H417 L418 N419D413-K415 PolarHBondContact O-N 2.86Å; D413-K415 VanDerWaalsContact OD1-CB 3.28Å; D413-K415 WeakPolarHBondContact OD1-CB 3.47Å; D413-K415 VanDerWaalsContact OD1-CG 3.32Å; D413-K415 WeakPolarHBondContact OD1-CG 3.49Å; D413-K415 PolarHBondContact OD1-N 3.24Å; K415-H417 PolarHBondContact O-N 3.13Å; K415-H417 VanDerWaalsContact O-N 3.13Å; K415-L418 WeakPolarHBondContact O-CB 3.42Å; K415-L418 PolarHBondContact O-N 3.29Å; K415-N419 PolarHBondContact O-OD1 3.45Å
416H95.5Very high96.7Very high88 Ų8864.2 Ų64.241%0.40732%0.316SS..G310 helixtrans-50.5-38.9174.9179.180.8000112.7R356 D413 P414 L418 N419R356-H416 VanDerWaalsContact CZ-CB 3.47Å; R356-H416 PolarHBondContact NE-CD2 3.26Å; R356-H416 VanDerWaalsContact NH1-CB 3.25Å; D413-H416 PolarHBondContact O-N 2.95Å; P414-H416 PolarHBondContact O-N 2.76Å; P414-H416 VanDerWaalsContact O-N 3.14Å; H416-L418 PolarHBondContact O-N 2.82Å; H416-N419 WeakPolarHBondContact O-CB 3.32Å; H416-N419 VanDerWaalsContact O-CG 3.26Å; H416-N419 PolarHBondContact O-N 3.07Å; H416-N419 PolarHBondContact O-ND2 3.12Å
417H95.3Very high96.8Very high34 Ų3468.9 Ų68.916%0.15733%0.329CS..G310 helixtrans-77.5-6.9-178-56.587.3000113.4P147 P414 K415P147-H417 HydrophobicContact CB-CB 4.01Å; P414-H417 PolarHBondContact O-N 3.21Å; P414-H417 VanDerWaalsContact O-N 3.1Å; P414-H417 PolarHBondContact O-ND1 3.25Å; K415-H417 PolarHBondContact O-N 3.13Å; K415-H417 VanDerWaalsContact O-N 3.13Å
418L96.3Very high96.8Very high41 Ų4167.1 Ų67.122%0.21532%0.323CS..G310 helixtrans-91.8-13.7176-59.5178.7000112.7L135 T149 K415 H416 Q420 V421L135-L418 HydrophobicContact CD1-CD2 3.68Å; L135-L418 HydrophobicContact CD1-CG 4.16Å; T149-L418 HydrophobicContact CG2-CD2 3.3Å; K415-L418 WeakPolarHBondContact O-CB 3.42Å; K415-L418 PolarHBondContact O-N 3.29Å; H416-L418 PolarHBondContact O-N 2.82Å; L418-Q420 PolarHBondContact O-N 3.32Å; L418-V421 HydrophobicContact CB-CG2 4.48Å; L418-V421 HydrophobicContact CD2-CG2 4.19Å; L418-V421 WeakPolarHBondContact O-CB 3.28Å; L418-V421 WeakPolarHBondContact O-CG2 3.41Å; L418-V421 PolarHBondContact O-N 2.9Å
419N96Very high96.9Very high102 Ų10269.7 Ų69.755%0.54535%0.35SS..THydrogen-bonded Turntrans-58.2-24-169.5-72.7-12.7000115K415 H416K415-N419 PolarHBondContact O-OD1 3.45Å; H416-N419 WeakPolarHBondContact O-CB 3.32Å; H416-N419 VanDerWaalsContact O-CG 3.26Å; H416-N419 PolarHBondContact O-N 3.07Å; H416-N419 PolarHBondContact O-ND2 3.12Å
420Q97.5Very high96.9Very high120 Ų12066.8 Ų66.856%0.56134%0.335SS*.THydrogen-bonded Turntrans-114.28.5-177.2-63.1-63.9-47.900112.9L418 D422 T423 I424L418-Q420 PolarHBondContact O-N 3.32Å; Q420-D422 VanDerWaalsContact C-N 3.31Å; Q420-D422 PolarHBondContact O-N 2.95Å; Q420-T423 PolarHBondContact O-N 2.94Å; Q420-T423 PolarHBondContact OE1-OG1 3.32Å; Q420-I424 VanDerWaalsContact O-CG1 3.32Å; Q420-I424 WeakPolarHBondContact O-CG1 3.39Å; Q420-I424 PolarHBondContact O-N 3.03Å
421V98.2Very high96.5Very high4 Ų466.2 Ų66.22%0.02435%0.352CS..Hα-helixtrans-61.6-41.4178.7171.10000110.8K132 Y133 T149 V152 L418 I424 F425K132-V421 HydrophobicContact CG-CG1 3.74Å; K132-V421 WeakPolarHBondContact O-CG1 3.45Å; Y133-V421 HydrophobicContact CD1-CB 4.37Å; Y133-V421 HydrophobicContact CD1-CG1 4.01Å; Y133-V421 HydrophobicContact CE1-CB 4.22Å; Y133-V421 HydrophobicContact CE1-CG1 3.96Å; T149-V421 HydrophobicContact CG2-CG2 3.83Å; V152-V421 HydrophobicContact CG2-CG1 4.45Å; V152-V421 HydrophobicContact CG2-CG2 4.37Å; L418-V421 HydrophobicContact CB-CG2 4.48Å; L418-V421 HydrophobicContact CD2-CG2 4.19Å; L418-V421 WeakPolarHBondContact O-CB 3.28Å; L418-V421 WeakPolarHBondContact O-CG2 3.41Å; L418-V421 PolarHBondContact O-N 2.9Å; V421-I424 PolarHBondContact O-N 3.14Å; V421-F425 HydrophobicContact CG1-CD2 3.94Å; V421-F425 HydrophobicContact CG1-CE2 3.99Å; V421-F425 VanDerWaalsContact O-CD2 3.29Å; V421-F425 WeakPolarHBondContact O-CD2 3.4Å; V421-F425 PolarHBondContact O-N 3.21Å
422D98.3Very high96.5Very high75 Ų7569.2 Ų69.240%0.40137%0.368SS..Hα-helixtrans-62.4-45177.7-69.6-29.4000112.3K132 Y133 Q420 I424 F425 E426K132-D422 WeakPolarHBondContact CE-OD1 3.18Å; K132-D422 IonicContact NZ-OD1 2.95Å; K132-D422 PolarHBondContact NZ-OD1 3.01Å; Y133-D422 VanDerWaalsContact OH-CG 3.31Å; Y133-D422 PolarHBondContact OH-OD1 3.36Å; Y133-D422 PolarHBondContact OH-OD2 2.96Å; Q420-D422 VanDerWaalsContact C-N 3.31Å; Q420-D422 PolarHBondContact O-N 2.95Å; D422-I424 VanDerWaalsContact C-N 3.31Å; D422-I424 PolarHBondContact O-N 2.64Å; D422-F425 PolarHBondContact O-N 2.96Å; D422-E426 WeakPolarHBondContact O-CB 3.18Å; D422-E426 PolarHBondContact O-N 3.31Å
423T98.4Very high96.4Very high47 Ų4771.6 Ų71.629%0.28838%0.381SS..Hα-helixtrans-61-38.5175.6-55.20000112.1Q420 R427Q420-T423 PolarHBondContact O-N 2.94Å; Q420-T423 PolarHBondContact OE1-OG1 3.32Å; T423-R427 WeakPolarHBondContact O-CB 2.96Å; T423-R427 VanDerWaalsContact O-CG 3.31Å; T423-R427 WeakPolarHBondContact O-CG 3.46Å; T423-R427 PolarHBondContact O-N 3.26Å; T423-R427 VanDerWaalsContact O-N 3.1Å
424I98.4Very high96.5Very high75 Ų7572 Ų7239%0.38538%0.384SS..Hα-helixtrans-65.7-44.5175.7-67.6164.9000110.7V152 Q420 V421 D422 R427 A428V152-I424 HydrophobicContact CG2-CD1 4.32Å; V152-I424 HydrophobicContact CG2-CG2 4.32Å; Q420-I424 VanDerWaalsContact O-CG1 3.32Å; Q420-I424 WeakPolarHBondContact O-CG1 3.39Å; Q420-I424 PolarHBondContact O-N 3.03Å; V421-I424 PolarHBondContact O-N 3.14Å; D422-I424 VanDerWaalsContact C-N 3.31Å; D422-I424 PolarHBondContact O-N 2.64Å; I424-R427 PolarHBondContact O-N 2.93Å; I424-A428 WeakPolarHBondContact O-CB 3.43Å; I424-A428 PolarHBondContact O-N 3.33Å
425F98.6Very high96.7Very high1 Ų174.9 Ų74.90%0.00440%0.397CS..Hα-helixtrans-66.5-39.8179.7-89.5-115000112.4A128 K132 V152 A155 V421 D422 A428 G429 L430 A431A128-F425 HydrophobicContact CB-CE1 4.13Å; A128-F425 HydrophobicContact CB-CZ 4.21Å; A128-F425 VanDerWaalsContact O-CE1 3.32Å; A128-F425 WeakPolarHBondContact O-CE1 3.48Å; A128-F425 VanDerWaalsContact O-CZ 3.23Å; A128-F425 WeakPolarHBondContact O-CZ 3.12Å; K132-F425 HydrophobicContact CB-CE1 3.96Å; K132-F425 HydrophobicContact CB-CE2 4.49Å; K132-F425 HydrophobicContact CB-CZ 3.89Å; K132-F425 HydrophobicContact CD-CD1 3.91Å; K132-F425 HydrophobicContact CD-CE1 4.08Å; K132-F425 HydrophobicContact CD-CG 4.18Å; K132-F425 HydrophobicContact CD-CZ 4.48Å; K132-F425 HydrophobicContact CG-CD1 4Å; K132-F425 HydrophobicContact CG-CD2 4.12Å; K132-F425 HydrophobicContact CG-CE1 3.74Å; K132-F425 HydrophobicContact CG-CE2 3.86Å; K132-F425 HydrophobicContact CG-CG 4.2Å; K132-F425 HydrophobicContact CG-CZ 3.68Å; V152-F425 HydrophobicContact CG2-CE2 4.08Å; A155-F425 HydrophobicContact CB-CE2 4.43Å; A155-F425 HydrophobicContact CB-CZ 4.48Å; V421-F425 HydrophobicContact CG1-CD2 3.94Å; V421-F425 HydrophobicContact CG1-CE2 3.99Å; V421-F425 VanDerWaalsContact O-CD2 3.29Å; V421-F425 WeakPolarHBondContact O-CD2 3.4Å; V421-F425 PolarHBondContact O-N 3.21Å; D422-F425 PolarHBondContact O-N 2.96Å; F425-A428 PolarHBondContact O-N 2.64Å; F425-G429 PolarHBondContact O-N 3.49Å; F425-G429 VanDerWaalsContact O-N 3.15Å; F425-L430 HydrophobicContact CB-CB 4.42Å; F425-L430 HydrophobicContact CD1-CB 3.7Å; F425-L430 HydrophobicContact CD1-CD1 4.39Å; F425-L430 HydrophobicContact CE1-CB 4.35Å; F425-L430 HydrophobicContact CE1-CD1 4.39Å; F425-L430 HydrophobicContact CG-CB 4.36Å; F425-L430 PolarHBondContact O-N 3.35Å; F425-A431 PolarHBondContact O-N 3.37Å
426E98.3Very high96.9Very high137 Ų13770.8 Ų70.864%0.6438%0.384SS*.Hα-helixtrans-60.3-48.3173.6-173.8-179-175.500111.3D422 A428 G429 A431D422-E426 WeakPolarHBondContact O-CB 3.18Å; D422-E426 PolarHBondContact O-N 3.31Å; E426-A428 VanDerWaalsContact C-N 3.26Å; E426-A428 PolarHBondContact O-N 2.88Å; E426-G429 PolarHBondContact O-N 3.35Å; E426-A431 HydrophobicContact CB-CB 4.19Å; E426-A431 HydrophobicContact CG-CB 4.49Å
427R98.2Very high97Very high216 Ų21669.7 Ų69.782%0.81538%0.383SS*.Hα-helixtrans-62.7-32.2175.9-73179179-165.91.1113.3T423 I424 G429T423-R427 WeakPolarHBondContact O-CB 2.96Å; T423-R427 VanDerWaalsContact O-CG 3.31Å; T423-R427 WeakPolarHBondContact O-CG 3.46Å; T423-R427 PolarHBondContact O-N 3.26Å; T423-R427 VanDerWaalsContact O-N 3.1Å; I424-R427 PolarHBondContact O-N 2.93Å; R427-G429 PolarHBondContact O-N 2.61Å
428A97.9Very high97.1Very high14 Ų1472.2 Ų72.212%0.11640%0.399CS..THydrogen-bonded Turntrans-76.4-8.2175.500000112.9Y158 T159 I424 F425 E426 L430Y158-A428 WeakPolarHBondContact CE1-O 3.4Å; T159-A428 HydrophobicContact CG2-CB 3.84Å; I424-A428 WeakPolarHBondContact O-CB 3.43Å; I424-A428 PolarHBondContact O-N 3.33Å; F425-A428 PolarHBondContact O-N 2.64Å; E426-A428 VanDerWaalsContact C-N 3.26Å; E426-A428 PolarHBondContact O-N 2.88Å; A428-L430 VanDerWaalsContact C-N 3.35Å; A428-L430 HydrophobicContact CB-CD1 4.04Å; A428-L430 HydrophobicContact CB-CG 4.21Å
429G98Very high97.2Very high58 Ų5874.6 Ų74.660%0.59841%0.413SS*.THydrogen-bonded Turntrans73.326.2-17400000113.6F425 E426 R427F425-G429 PolarHBondContact O-N 3.49Å; F425-G429 VanDerWaalsContact O-N 3.15Å; E426-G429 PolarHBondContact O-N 3.35Å; R427-G429 PolarHBondContact O-N 2.61Å
430L97.8Very high97.3Very high4 Ų472.3 Ų72.32%0.02140%0.402CS..  trans-112.66.1-177.7-68.6172.4000113.5A125 A128 K129 A155 Y158 F425 A428A125-L430 HydrophobicContact CB-CD2 3.67Å; A128-L430 HydrophobicContact CB-CD1 3.81Å; K129-L430 VanDerWaalsContact CE-O 3.31Å; K129-L430 WeakPolarHBondContact CE-O 3.47Å; A155-L430 HydrophobicContact CB-CD1 3.71Å; Y158-L430 HydrophobicContact CD1-CD1 3.79Å; Y158-L430 HydrophobicContact CD1-CD2 4.01Å; Y158-L430 HydrophobicContact CD1-CG 3.94Å; Y158-L430 HydrophobicContact CD2-CD2 4.42Å; Y158-L430 HydrophobicContact CE1-CD1 4.22Å; Y158-L430 HydrophobicContact CE1-CD2 3.76Å; Y158-L430 HydrophobicContact CE1-CG 3.83Å; Y158-L430 HydrophobicContact CE2-CD2 4.18Å; Y158-L430 HydrophobicContact CG-CD1 4.27Å; Y158-L430 HydrophobicContact CG-CD2 4.33Å; F425-L430 HydrophobicContact CB-CB 4.42Å; F425-L430 HydrophobicContact CD1-CB 3.7Å; F425-L430 HydrophobicContact CD1-CD1 4.39Å; F425-L430 HydrophobicContact CE1-CB 4.35Å; F425-L430 HydrophobicContact CE1-CD1 4.39Å; F425-L430 HydrophobicContact CG-CB 4.36Å; F425-L430 PolarHBondContact O-N 3.35Å; A428-L430 VanDerWaalsContact C-N 3.35Å; A428-L430 HydrophobicContact CB-CD1 4.04Å; A428-L430 HydrophobicContact CB-CG 4.21Å
431A88Confident97.3Very high117 Ų11768 Ų6897%0.96739%0.387SS*.  trans-630178.100000113.3F425 E426F425-A431 PolarHBondContact O-N 3.37Å; E426-A431 HydrophobicContact CB-CB 4.19Å; E426-A431 HydrophobicContact CG-CB 4.49Å

Retrieved 431 of 431 residues in 1749.1 ms (Link to these results)

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