A0A2K5KU79_CERAT Loading...

Immunoglobulin binding protein 1

AlphaFold DB , UniProt , Accession A0A2K5KU79, Species CERAT (Cercocebus atys, Sooty mangabey), Gene n/a, Length 339 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
1M46.1Very low62.5Low250 Ų250154.3 Ų154.3100%1.23282%0.816SS**  054.70-66.4169.572.700109.5
2A47.6Very low65.3Low98 Ų98142.4 Ų142.481%0.8175%0.754SS**  trans-145.131.2-174.700000111.1
3A49.9Very low67.6Low96 Ų96136.2 Ų136.279%0.79373%0.727SS**SBendtrans-130.86.4179.700000112.6
4E51.6Low69.7Low188 Ų188134.5 Ų134.588%0.87971%0.712SS**SBendtrans-97.7-5.1172.7-85-179.3156.200112.6
5D49.6Very low71.5Confident156 Ų156125.8 Ų125.883%0.83467%0.666SS**THydrogen-bonded Turntrans-96.18.7-166.5-150.332.3000114.9
6E51.6Low73.2Confident185 Ų185118.1 Ų118.186%0.86463%0.625SS**THydrogen-bonded Turntrans-130.79.4-179.5-79.7-165176.600115.4L8E6-L8 PolarHBondContact O-N 3.2Å
7L57.2Low74.5Confident148 Ų148114.5 Ų114.578%0.77560%0.604SS**  trans-89.789.4164.4-73.2169.2000107.9L9L7-L9 PolarHBondContact O-N 3.06Å
8L69.9Low75.8Confident175 Ų175110.3 Ų110.392%0.91658%0.583SS**  trans-55.7100170.3-71.7171.7000108.7E6E6-L8 PolarHBondContact O-N 3.2Å
9L80.6Confident76.9Confident148 Ų148104.5 Ų104.578%0.77555%0.553SS**PPolyproline II helixtrans-62.7141.2176.3-68.5170.7000109.1L7 R11L7-L9 PolarHBondContact O-N 3.06Å; L9-R11 PolarHBondContact O-N 3.35Å
10P88.9Confident78Confident54 Ų54100.6 Ų100.635%0.35153%0.531SS..PPolyproline II helixtrans-58.1140.6179.8-21.331.1000111.3E14 L15P10-E14 HydrophobicContact CB-CG 4.46Å; P10-L15 HydrophobicContact CB-CD2 3.69Å; P10-L15 HydrophobicContact CB-CG 4.02Å; P10-L15 HydrophobicContact CG-CD2 4.18Å
11R95Very high78.9Confident199 Ų199100.7 Ų100.775%0.75153%0.528SS*.PPolyproline II helixtrans-78.1158.3179.7-62.8-177.4176.7-176-1110.9L9 P13 E14 L15L9-R11 PolarHBondContact O-N 3.35Å; R11-P13 VanDerWaalsContact C-CD 3.49Å; R11-E14 WeakPolarHBondContact O-CA 3.41Å; R11-E14 WeakPolarHBondContact O-CB 3.37Å; R11-E14 PolarHBondContact O-N 2.87Å; R11-L15 PolarHBondContact O-N 3.04Å
12L95.8Very high81.3Confident12 Ų1289.5 Ų89.56%0.06347%0.473CS..Hα-helixtrans-48.8-46.4178.7173.265.8000114.3E14 L15 F16 A52 M55 L56 L59 L61 Y78L12-E14 VanDerWaalsContact C-N 3.3Å; L12-E14 PolarHBondContact O-N 3.46Å; L12-L15 PolarHBondContact O-N 3.03Å; L12-F16 WeakPolarHBondContact O-CB 3.24Å; L12-F16 PolarHBondContact O-N 3.4Å; L12-A52 HydrophobicContact CD1-CB 3.94Å; L12-M55 HydrophobicContact CB-CE 3.88Å; L12-M55 HydrophobicContact CB-SD 4.13Å; L12-M55 HydrophobicContact CD1-CB 4.3Å; L12-L56 HydrophobicContact CD1-CD1 4.46Å; L12-L56 HydrophobicContact CD1-CD2 4.12Å; L12-L56 HydrophobicContact CD1-CG 3.92Å; L12-L56 HydrophobicContact CD2-CD2 3.65Å; L12-L56 HydrophobicContact CD2-CG 4.29Å; L12-L56 HydrophobicContact CG-CD2 4.5Å; L12-L59 HydrophobicContact CD2-CD1 3.78Å; L12-L61 HydrophobicContact CD2-CD1 4.43Å; L12-Y78 HydrophobicContact CD1-CD1 4.28Å; L12-Y78 HydrophobicContact CD1-CE1 4.15Å; L12-Y78 HydrophobicContact CD2-CD1 4.46Å; L12-Y78 HydrophobicContact CD2-CD2 4.34Å; L12-Y78 HydrophobicContact CD2-CE1 4.13Å; L12-Y78 HydrophobicContact CD2-CE2 4Å; L12-Y78 HydrophobicContact CG-CD1 4.28Å; L12-Y78 HydrophobicContact CG-CE1 3.76Å; L12-Y78 HydrophobicContact CG-CE2 4.48Å
13P95.6Very high83.7Confident62 Ų6284.9 Ų84.940%0.40344%0.435SS..Hα-helixtrans-61.2-39.6177.4-21.131.9000112.5R11 F16 E17 Y78R11-P13 VanDerWaalsContact C-CD 3.49Å; P13-F16 PolarHBondContact O-N 3.22Å; P13-E17 WeakPolarHBondContact O-CB 3.25Å; P13-E17 VanDerWaalsContact O-CG 3.3Å; P13-E17 WeakPolarHBondContact O-CG 3.46Å; P13-E17 PolarHBondContact O-N 2.99Å; P13-Y78 WeakPolarHBondContact CG-OH 3.24Å
14E96.3Very high85.9Confident112 Ų11283.1 Ų83.152%0.52341%0.412SS..Hα-helixtrans-69.2-42.4-179.4-174.3-178.4-177.600111.8P10 R11 L12 F16 T18P10-E14 HydrophobicContact CB-CG 4.46Å; R11-E14 WeakPolarHBondContact O-CA 3.41Å; R11-E14 WeakPolarHBondContact O-CB 3.37Å; R11-E14 PolarHBondContact O-N 2.87Å; L12-E14 VanDerWaalsContact C-N 3.3Å; L12-E14 PolarHBondContact O-N 3.46Å; E14-F16 VanDerWaalsContact C-N 3.34Å; E14-T18 VanDerWaalsContact O-CB 3.22Å; E14-T18 WeakPolarHBondContact O-CB 3.29Å; E14-T18 PolarHBondContact O-N 3.06Å; E14-T18 PolarHBondContact O-OG1 3.09Å
15L97.6Very high88.1Confident4 Ų478 Ų782%0.02139%0.389CS..Hα-helixtrans-58.6-47.6174-68175.7000110.9P10 R11 L12 G19 L48 K51 A52 M55P10-L15 HydrophobicContact CB-CD2 3.69Å; P10-L15 HydrophobicContact CB-CG 4.02Å; P10-L15 HydrophobicContact CG-CD2 4.18Å; R11-L15 PolarHBondContact O-N 3.04Å; L12-L15 PolarHBondContact O-N 3.03Å; L15-G19 PolarHBondContact O-N 3.49Å; L15-L48 HydrophobicContact CD2-CB 4.4Å; L15-L48 HydrophobicContact CD2-CD2 3.49Å; L15-L48 VanDerWaalsContact CD2-CD2 3.49Å; L15-K51 HydrophobicContact CD1-CB 3.84Å; L15-K51 HydrophobicContact CD2-CB 4.36Å; L15-A52 HydrophobicContact CB-CB 4.04Å; L15-M55 HydrophobicContact CD1-SD 3.53Å; L15-M55 VanDerWaalsContact CD1-SD 3.53Å
16F97.5Very high90.4Very high3 Ų371.2 Ų71.21%0.01335%0.353CS..Hα-helixtrans-63.4-52.8179.9178.1-93.5000112.1L12 P13 E14 T18 G19 K20 K77 Y78 L80 V81 F84L12-F16 WeakPolarHBondContact O-CB 3.24Å; L12-F16 PolarHBondContact O-N 3.4Å; P13-F16 PolarHBondContact O-N 3.22Å; E14-F16 VanDerWaalsContact C-N 3.34Å; F16-T18 VanDerWaalsContact C-N 3.34Å; F16-T18 PolarHBondContact O-N 3.44Å; F16-G19 PolarHBondContact O-N 3.17Å; F16-K20 HydrophobicContact CE1-CD 4.39Å; F16-K20 WeakPolarHBondContact O-CB 3.07Å; F16-K20 PolarHBondContact O-N 3.14Å; F16-K77 HydrophobicContact CD1-CD 4.03Å; F16-K77 HydrophobicContact CD1-CG 4.17Å; F16-K77 HydrophobicContact CE1-CB 3.87Å; F16-K77 HydrophobicContact CE1-CD 3.74Å; F16-K77 HydrophobicContact CE1-CG 3.74Å; F16-K77 WeakPolarHBondContact CE2-O 3.32Å; F16-K77 HydrophobicContact CZ-CB 3.75Å; F16-K77 HydrophobicContact CZ-CD 4.43Å; F16-K77 HydrophobicContact CZ-CG 3.93Å; F16-K77 WeakPolarHBondContact CZ-O 3.41Å; F16-Y78 HydrophobicContact CB-CD1 4.08Å; F16-Y78 HydrophobicContact CB-CE1 3.77Å; F16-Y78 HydrophobicContact CD1-CE1 4.43Å; F16-Y78 AromaticContact CD2-CD1 3.81Å; F16-Y78 HydrophobicContact CD2-CD1 3.81Å; F16-Y78 HydrophobicContact CD2-CE1 4.31Å; F16-Y78 HydrophobicContact CE2-CD1 4.41Å; F16-Y78 AromaticContact CG-CD1 3.9Å; F16-Y78 HydrophobicContact CG-CD1 3.9Å; F16-Y78 AromaticContact CG-CE1 3.92Å; F16-Y78 HydrophobicContact CG-CE1 3.92Å; F16-L80 HydrophobicContact CE2-CB 4.44Å; F16-V81 HydrophobicContact CD2-CG2 3.64Å; F16-V81 HydrophobicContact CE2-CG2 3.93Å; F16-F84 HydrophobicContact CE1-CE2 4.5Å; F16-F84 HydrophobicContact CE2-CD2 4.07Å; F16-F84 AromaticContact CE2-CE2 3.65Å; F16-F84 HydrophobicContact CE2-CE2 3.65Å; F16-F84 HydrophobicContact CZ-CD2 4.45Å; F16-F84 AromaticContact CZ-CE2 3.59Å; F16-F84 HydrophobicContact CZ-CE2 3.59Å; F16-F84 HydrophobicContact CZ-CZ 4.39Å
17E96.1Very high92.5Very high57 Ų5766.5 Ų66.527%0.26633%0.331SS..Hα-helixtrans-64.5-40.3-177.1-66.8-54.1152.700111.4P13 K20 Q21 K77P13-E17 WeakPolarHBondContact O-CB 3.25Å; P13-E17 VanDerWaalsContact O-CG 3.3Å; P13-E17 WeakPolarHBondContact O-CG 3.46Å; P13-E17 PolarHBondContact O-N 2.99Å; E17-K20 PolarHBondContact O-N 3.1Å; E17-Q21 WeakPolarHBondContact O-CB 3.27Å; E17-Q21 WeakPolarHBondContact O-CG 3.24Å; E17-Q21 PolarHBondContact O-N 2.73Å; E17-K77 IonicContact OE1-NZ 2.8Å; E17-K77 PolarHBondContact OE1-NZ 3.4Å
18T97.6Very high94.3Very high38 Ų3864.9 Ų64.923%0.23333%0.327CS..Hα-helixtrans-67.6-41177.4-52.50000111.2E14 F16 Q21 L22 L48E14-T18 VanDerWaalsContact O-CB 3.22Å; E14-T18 WeakPolarHBondContact O-CB 3.29Å; E14-T18 PolarHBondContact O-N 3.06Å; E14-T18 PolarHBondContact O-OG1 3.09Å; F16-T18 VanDerWaalsContact C-N 3.34Å; F16-T18 PolarHBondContact O-N 3.44Å; T18-Q21 PolarHBondContact O-N 2.92Å; T18-L22 HydrophobicContact CG2-CD1 4.33Å; T18-L22 VanDerWaalsContact O-CG 3.3Å; T18-L22 WeakPolarHBondContact O-CG 3.28Å; T18-L22 PolarHBondContact O-N 3.18Å; T18-L48 HydrophobicContact CG2-CD1 3.48Å; T18-L48 VanDerWaalsContact CG2-CD1 3.48Å
19G97.9Very high95.5Very high0 Ų058.1 Ų58.10%030%0.296CS..Hα-helixtrans-61.6-43.7175.100000112.4L15 F16 L22 L23L15-G19 PolarHBondContact O-N 3.49Å; F16-G19 PolarHBondContact O-N 3.17Å; G19-L22 PolarHBondContact O-N 3.04Å; G19-L23 PolarHBondContact O-N 3.29Å; G19-L23 VanDerWaalsContact O-N 3.08Å
20K97Very high96.2Very high27 Ų2757.7 Ų57.712%0.11730%0.3CS..Hα-helixtrans-62-47.5174.5178.5-176.3169.8-66.10111.8F16 E17 L22 L23 D24 F84F16-K20 HydrophobicContact CE1-CD 4.39Å; F16-K20 WeakPolarHBondContact O-CB 3.07Å; F16-K20 PolarHBondContact O-N 3.14Å; E17-K20 PolarHBondContact O-N 3.1Å; K20-L22 VanDerWaalsContact C-N 3.32Å; K20-L22 PolarHBondContact O-N 3.06Å; K20-L23 WeakPolarHBondContact O-CB 3.19Å; K20-L23 PolarHBondContact O-N 3.24Å; K20-D24 IonicContact NZ-OD2 2.71Å; K20-D24 PolarHBondContact NZ-OD2 3.3Å; K20-D24 PolarHBondContact O-N 3.14Å; K20-F84 HydrophobicContact CB-CE2 3.97Å; K20-F84 HydrophobicContact CD-CE2 4.36Å; K20-F84 HydrophobicContact CD-CZ 4.31Å; K20-F84 HydrophobicContact CG-CE2 4.06Å; K20-F84 HydrophobicContact CG-CZ 4.11Å
21Q97.3Very high96.5Very high102 Ų10259 Ų5948%0.47730%0.301SS..Hα-helixtrans-59.5-42.8178-75.2169.97.200111.8E17 T18 L23 D24 E25E17-Q21 WeakPolarHBondContact O-CB 3.27Å; E17-Q21 WeakPolarHBondContact O-CG 3.24Å; E17-Q21 PolarHBondContact O-N 2.73Å; T18-Q21 PolarHBondContact O-N 2.92Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.49Å; Q21-D24 PolarHBondContact O-N 3.22Å; Q21-E25 WeakPolarHBondContact O-CB 3.42Å; Q21-E25 VanDerWaalsContact O-CG 3.29Å; Q21-E25 WeakPolarHBondContact O-CG 3.29Å; Q21-E25 PolarHBondContact O-N 2.85Å
22L98.1Very high96.5Very high15 Ų1554.2 Ų54.28%0.07930%0.296CS..Hα-helixtrans-64.4-37176.8-71.1171.8000112.3T18 G19 K20 V26 K41 K44 L48T18-L22 HydrophobicContact CG2-CD1 4.33Å; T18-L22 VanDerWaalsContact O-CG 3.3Å; T18-L22 WeakPolarHBondContact O-CG 3.28Å; T18-L22 PolarHBondContact O-N 3.18Å; G19-L22 PolarHBondContact O-N 3.04Å; K20-L22 VanDerWaalsContact C-N 3.32Å; K20-L22 PolarHBondContact O-N 3.06Å; L22-V26 WeakPolarHBondContact O-CB 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.48Å; L22-V26 PolarHBondContact O-N 3.32Å; L22-K41 HydrophobicContact CD2-CB 4.05Å; L22-K41 HydrophobicContact CD2-CD 4.4Å; L22-K41 HydrophobicContact CD2-CG 4Å; L22-K44 HydrophobicContact CD1-CB 4.02Å; L22-K44 HydrophobicContact CD1-CD 3.96Å; L22-K44 HydrophobicContact CD1-CG 3.8Å; L22-L48 HydrophobicContact CD1-CD1 3.9Å
23L97.8Very high96.4Very high1 Ų156.8 Ų56.81%0.00532%0.319CS..Hα-helixtrans-63.7-50.5172173.561.6000111.2G19 K20 Q21 E25 V26 E27 F84 A87 L88 W200G19-L23 PolarHBondContact O-N 3.29Å; G19-L23 VanDerWaalsContact O-N 3.08Å; K20-L23 WeakPolarHBondContact O-CB 3.19Å; K20-L23 PolarHBondContact O-N 3.24Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.49Å; L23-E25 VanDerWaalsContact C-N 3.27Å; L23-E25 PolarHBondContact O-N 2.87Å; L23-V26 PolarHBondContact O-N 2.9Å; L23-V26 VanDerWaalsContact O-N 3.09Å; L23-E27 HydrophobicContact CD1-CG 4.08Å; L23-E27 PolarHBondContact O-N 2.87Å; L23-F84 HydrophobicContact CD2-CB 4.04Å; L23-F84 HydrophobicContact CD2-CD1 3.52Å; L23-F84 HydrophobicContact CD2-CE1 4.17Å; L23-F84 HydrophobicContact CD2-CG 3.93Å; L23-A87 HydrophobicContact CD1-CB 3.94Å; L23-A87 HydrophobicContact CD2-CB 4.14Å; L23-L88 HydrophobicContact CB-CD2 4.02Å; L23-L88 HydrophobicContact CB-CG 4.16Å; L23-L88 HydrophobicContact CD1-CD2 3.76Å; L23-L88 HydrophobicContact CD1-CG 3.97Å; L23-L88 HydrophobicContact CG-CD2 4.49Å; L23-W200 HydrophobicContact CD2-CH2 4Å; L23-W200 HydrophobicContact CD2-CZ2 4.11Å
24D96.4Very high96.4Very high59 Ų5956.2 Ų56.232%0.31632%0.324SS..Hα-helixtrans-55.4-44.4178.3-69.7-19.6000110.4K20 Q21 E27 V28K20-D24 IonicContact NZ-OD2 2.71Å; K20-D24 PolarHBondContact NZ-OD2 3.3Å; K20-D24 PolarHBondContact O-N 3.14Å; Q21-D24 PolarHBondContact O-N 3.22Å; D24-E27 PolarHBondContact O-N 2.77Å; D24-V28 WeakPolarHBondContact O-CG2 3.23Å; D24-V28 PolarHBondContact O-N 3.44Å
25E97.3Very high96.4Very high81 Ų8152 Ų5238%0.37931%0.307SS..Hα-helixtrans-64.9-38.6176.5-75.1178.4-162.400113.5Q21 L23 A29 K41Q21-E25 WeakPolarHBondContact O-CB 3.42Å; Q21-E25 VanDerWaalsContact O-CG 3.29Å; Q21-E25 WeakPolarHBondContact O-CG 3.29Å; Q21-E25 PolarHBondContact O-N 2.85Å; L23-E25 VanDerWaalsContact C-N 3.27Å; L23-E25 PolarHBondContact O-N 2.87Å; E25-A29 WeakPolarHBondContact O-CB 3.5Å; E25-A29 PolarHBondContact O-N 3.47Å; E25-A29 VanDerWaalsContact O-N 3.12Å; E25-K41 HydrophobicContact CB-CD 4.41Å; E25-K41 WeakPolarHBondContact OE2-CD 3.48Å; E25-K41 VanDerWaalsContact OE2-CE 3.24Å; E25-K41 WeakPolarHBondContact OE2-CE 3.37Å; E25-K41 IonicContact OE2-NZ 2.79Å; E25-K41 PolarHBondContact OE2-NZ 3.07Å
26V97.3Very high96.4Very high14 Ų1461.1 Ų61.19%0.08534%0.341CS..Hα-helixtrans-72.3-33.8178.9167.40000111.2L22 L23 V38 K41 V42 K91L22-V26 WeakPolarHBondContact O-CB 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.48Å; L22-V26 PolarHBondContact O-N 3.32Å; L23-V26 PolarHBondContact O-N 2.9Å; L23-V26 VanDerWaalsContact O-N 3.09Å; V26-V38 HydrophobicContact CG1-CG1 4.03Å; V26-V38 HydrophobicContact CG2-CG1 4.36Å; V26-K41 HydrophobicContact CG2-CB 3.72Å; V26-K41 HydrophobicContact CG2-CD 4.42Å; V26-V42 HydrophobicContact CG1-CG2 3.82Å; V26-V42 HydrophobicContact CG2-CG2 3.91Å; V26-K91 HydrophobicContact CG1-CB 3.99Å; V26-K91 HydrophobicContact CG1-CD 4.3Å; V26-K91 HydrophobicContact CG1-CG 3.75Å
27E94.8Very high96.4Very high85 Ų8565.5 Ų65.540%0.39736%0.364SS..Hα-helixtrans-67.1-35.5177.7-76.5-170.6166.400113L23 D24L23-E27 HydrophobicContact CD1-CG 4.08Å; L23-E27 PolarHBondContact O-N 2.87Å; D24-E27 PolarHBondContact O-N 2.77Å
28V95.6Very high96.4Very high115 Ų11563.1 Ų63.170%0.69735%0.353SS*.SBendtrans-99.13.4-179.5-53.70000113.8D24 T30D24-V28 WeakPolarHBondContact O-CG2 3.23Å; D24-V28 PolarHBondContact O-N 3.44Å; V28-T30 PolarHBondContact O-N 2.99Å
29A95.4Very high96.5Very high32 Ų3262.1 Ų62.126%0.26435%0.346SS..  trans-57.9133.8-17900000111.2E25 V38E25-A29 WeakPolarHBondContact O-CB 3.5Å; E25-A29 PolarHBondContact O-N 3.47Å; E25-A29 VanDerWaalsContact O-N 3.12Å; A29-V38 HydrophobicContact CB-CG2 3.94Å
30T94.6Very high96.5Very high139 Ų13966.8 Ų66.885%0.85337%0.368SS*.  trans-92-17.3178.959.50000111.8V28V28-T30 PolarHBondContact O-N 2.99Å
31E95.1Very high96.5Very high82 Ų8268.4 Ų68.438%0.38338%0.375SS..SBendtrans-70.8156.7175.8-56.594.8141.600111.5A33 V38E31-A33 PolarHBondContact O-N 2.92Å; E31-V38 HydrophobicContact CB-CG2 4.09Å
32P96Very high96.6Very high99 Ų9963.5 Ų63.564%0.64335%0.352SS*.  trans-55.8136175.8-24.433.9000111.5G34 S35P32-G34 PolarHBondContact O-N 3.17Å; P32-G34 VanDerWaalsContact O-N 3.12Å; P32-S35 WeakPolarHBondContact O-CB 3.42Å; P32-S35 PolarHBondContact O-N 3.41Å; P32-S35 PolarHBondContact O-OG 3.23Å
33A94.3Very high96.6Very high65 Ų6568.3 Ų68.354%0.53737%0.372SS..THydrogen-bonded Turntrans-56.2-34.1-177.600000113.4E31 S35 Q39 V93E31-A33 PolarHBondContact O-N 2.92Å; A33-S35 VanDerWaalsContact C-N 3.29Å; A33-S35 PolarHBondContact O-N 3.35Å; A33-Q39 PolarHBondContact O-NE2 3.17Å; A33-V93 HydrophobicContact CB-CG2 4.37Å
34G95Very high96.6Very high50 Ų5073.8 Ų73.852%0.51540%0.396SS..THydrogen-bonded Turntrans-83.65.3175.900000115P32P32-G34 PolarHBondContact O-N 3.17Å; P32-G34 VanDerWaalsContact O-N 3.12Å
35S96.9Very high96.7Very high25 Ų2571 Ų7118%0.17538%0.381CS..SBendtrans-67.5150.9177.669.90000111P32 A33 I37 V38 Q39P32-S35 WeakPolarHBondContact O-CB 3.42Å; P32-S35 PolarHBondContact O-N 3.41Å; P32-S35 PolarHBondContact O-OG 3.23Å; A33-S35 VanDerWaalsContact C-N 3.29Å; A33-S35 PolarHBondContact O-N 3.35Å; S35-I37 VanDerWaalsContact C-N 3.26Å; S35-I37 PolarHBondContact O-N 3.32Å; S35-V38 PolarHBondContact O-N 2.98Å; S35-V38 VanDerWaalsContact OG-CG2 3.31Å; S35-V38 WeakPolarHBondContact OG-CG2 3.47Å; S35-V38 PolarHBondContact OG-N 3.34Å; S35-Q39 WeakPolarHBondContact O-CB 3.42Å; S35-Q39 WeakPolarHBondContact O-CG 3.41Å; S35-Q39 PolarHBondContact O-N 2.94Å
36R97.1Very high96.8Very high194 Ų19468.2 Ų68.273%0.73237%0.369SS*.Hα-helixtrans-57.5-40.9179.7-177.4176.4173.8-170.1-6.5112.2Q39 E40R36-Q39 PolarHBondContact O-N 3.37Å; R36-E40 HydrophobicContact CG-CG 4.21Å; R36-E40 IonicContact CZ-OE1 2.94Å; R36-E40 VanDerWaalsContact CZ-OE1 3.26Å; R36-E40 IonicContact NE-OE1 3.52Å; R36-E40 PolarHBondContact NE-OE1 2.92Å; R36-E40 IonicContact NH2-OE1 2.7Å; R36-E40 PolarHBondContact NH2-OE1 3.05Å; R36-E40 WeakPolarHBondContact O-CB 3.35Å; R36-E40 VanDerWaalsContact O-CG 3.29Å; R36-E40 WeakPolarHBondContact O-CG 3.3Å; R36-E40 PolarHBondContact O-N 3.44Å
37I96.5Very high96.8Very high96 Ų9670.8 Ų70.849%0.49238%0.382SS..Hα-helixtrans-61.8-48.4-178.6-58.8166.8000110.3S35 K41S35-I37 VanDerWaalsContact C-N 3.26Å; S35-I37 PolarHBondContact O-N 3.32Å; I37-K41 WeakPolarHBondContact O-CG 3.45Å; I37-K41 PolarHBondContact O-N 3.42Å
38V97.6Very high97Very high6 Ų667.5 Ų67.54%0.03637%0.367CS..Hα-helixtrans-67.1-45.7179.1175.90000110.7V26 A29 E31 S35 E40 K41 V42V26-V38 HydrophobicContact CG1-CG1 4.03Å; V26-V38 HydrophobicContact CG2-CG1 4.36Å; A29-V38 HydrophobicContact CB-CG2 3.94Å; E31-V38 HydrophobicContact CB-CG2 4.09Å; S35-V38 PolarHBondContact O-N 2.98Å; S35-V38 VanDerWaalsContact OG-CG2 3.31Å; S35-V38 WeakPolarHBondContact OG-CG2 3.47Å; S35-V38 PolarHBondContact OG-N 3.34Å; V38-E40 PolarHBondContact O-N 2.85Å; V38-K41 WeakPolarHBondContact O-CB 3.47Å; V38-K41 PolarHBondContact O-N 3.29Å; V38-V42 HydrophobicContact CG1-CG2 4.48Å; V38-V42 WeakPolarHBondContact O-CG2 3.3Å; V38-V42 PolarHBondContact O-N 3.3Å
39Q98Very high97.1Very high18 Ų1862 Ų628%0.08433%0.334CS..Hα-helixtrans-66.7-35.7-178.8-67.4-61.5-67.100112.6A33 S35 R36 K41 V42 F43 K91A33-Q39 PolarHBondContact O-NE2 3.17Å; S35-Q39 WeakPolarHBondContact O-CB 3.42Å; S35-Q39 WeakPolarHBondContact O-CG 3.41Å; S35-Q39 PolarHBondContact O-N 2.94Å; R36-Q39 PolarHBondContact O-N 3.37Å; Q39-K41 VanDerWaalsContact C-N 3.33Å; Q39-K41 PolarHBondContact O-N 2.86Å; Q39-V42 PolarHBondContact O-N 3.44Å; Q39-F43 HydrophobicContact CB-CD2 4.45Å; Q39-F43 HydrophobicContact CB-CE2 4.19Å; Q39-F43 WeakPolarHBondContact O-CD2 3.5Å; Q39-F43 PolarHBondContact O-N 3.49Å; Q39-K91 PolarHBondContact NE2-O 2.88Å
40E98Very high97.2Very high98 Ų9866.6 Ų66.646%0.45835%0.35SS..Hα-helixtrans-61.5-40.4173-78.7177.9175.800111.8R36 V38 K44R36-E40 HydrophobicContact CG-CG 4.21Å; R36-E40 IonicContact CZ-OE1 2.94Å; R36-E40 VanDerWaalsContact CZ-OE1 3.26Å; R36-E40 IonicContact NE-OE1 3.52Å; R36-E40 PolarHBondContact NE-OE1 2.92Å; R36-E40 IonicContact NH2-OE1 2.7Å; R36-E40 PolarHBondContact NH2-OE1 3.05Å; R36-E40 WeakPolarHBondContact O-CB 3.35Å; R36-E40 VanDerWaalsContact O-CG 3.29Å; R36-E40 WeakPolarHBondContact O-CG 3.3Å; R36-E40 PolarHBondContact O-N 3.44Å; V38-E40 PolarHBondContact O-N 2.85Å; E40-K44 WeakPolarHBondContact O-CB 3.37Å; E40-K44 PolarHBondContact O-N 2.92Å
41K98.2Very high97.4Very high60 Ų6064.3 Ų64.326%0.26133%0.328SS..Hα-helixtrans-63.9-42.8173-68.3-176.8-175.9-168.20112.1L22 E25 V26 I37 V38 Q39 K44 G45L22-K41 HydrophobicContact CD2-CB 4.05Å; L22-K41 HydrophobicContact CD2-CD 4.4Å; L22-K41 HydrophobicContact CD2-CG 4Å; E25-K41 HydrophobicContact CB-CD 4.41Å; E25-K41 WeakPolarHBondContact OE2-CD 3.48Å; E25-K41 VanDerWaalsContact OE2-CE 3.24Å; E25-K41 WeakPolarHBondContact OE2-CE 3.37Å; E25-K41 IonicContact OE2-NZ 2.79Å; E25-K41 PolarHBondContact OE2-NZ 3.07Å; V26-K41 HydrophobicContact CG2-CB 3.72Å; V26-K41 HydrophobicContact CG2-CD 4.42Å; I37-K41 WeakPolarHBondContact O-CG 3.45Å; I37-K41 PolarHBondContact O-N 3.42Å; V38-K41 WeakPolarHBondContact O-CB 3.47Å; V38-K41 PolarHBondContact O-N 3.29Å; Q39-K41 VanDerWaalsContact C-N 3.33Å; Q39-K41 PolarHBondContact O-N 2.86Å; K41-K44 PolarHBondContact O-N 3.45Å; K41-G45 PolarHBondContact O-N 3.41Å
42V98.3Very high97.5Very high0 Ų060.4 Ų60.40%031%0.31CS..Hα-helixtrans-59.6-49.8176.5172.10000111.1V26 V38 Q39 K44 G45 L46 L88 K91 Q92V26-V42 HydrophobicContact CG1-CG2 3.82Å; V26-V42 HydrophobicContact CG2-CG2 3.91Å; V38-V42 HydrophobicContact CG1-CG2 4.48Å; V38-V42 WeakPolarHBondContact O-CG2 3.3Å; V38-V42 PolarHBondContact O-N 3.3Å; Q39-V42 PolarHBondContact O-N 3.44Å; V42-K44 PolarHBondContact O-N 3.19Å; V42-G45 PolarHBondContact O-N 2.98Å; V42-L46 HydrophobicContact CG1-CD1 4.05Å; V42-L46 WeakPolarHBondContact O-CG 3.28Å; V42-L46 PolarHBondContact O-N 3.28Å; V42-L88 WeakPolarHBondContact CG1-O 3.39Å; V42-L88 HydrophobicContact CG2-CD2 4.48Å; V42-K91 HydrophobicContact CG1-CB 4.39Å; V42-K91 HydrophobicContact CG2-CB 3.71Å; V42-Q92 HydrophobicContact CG1-CG 3.65Å
43F98.3Very high97.5Very high115 Ų11557.1 Ų57.150%0.50429%0.291SS..Hα-helixtrans-62.9-43.5179.1-73-59.9000112.1Q39 L46 D47Q39-F43 HydrophobicContact CB-CD2 4.45Å; Q39-F43 HydrophobicContact CB-CE2 4.19Å; Q39-F43 WeakPolarHBondContact O-CD2 3.5Å; Q39-F43 PolarHBondContact O-N 3.49Å; F43-L46 PolarHBondContact O-N 2.91Å; F43-D47 PolarHBondContact O-N 3.11Å
44K98.3Very high97.7Very high117 Ų11759.7 Ų59.751%0.50929%0.292SS..Hα-helixtrans-63.2-42.9176.8-174.6179.8177.9-1740111.8L22 E40 K41 V42 D47 L48L22-K44 HydrophobicContact CD1-CB 4.02Å; L22-K44 HydrophobicContact CD1-CD 3.96Å; L22-K44 HydrophobicContact CD1-CG 3.8Å; E40-K44 WeakPolarHBondContact O-CB 3.37Å; E40-K44 PolarHBondContact O-N 2.92Å; K41-K44 PolarHBondContact O-N 3.45Å; V42-K44 PolarHBondContact O-N 3.19Å; K44-D47 PolarHBondContact O-N 3.45Å; K44-L48 HydrophobicContact CG-CD1 4.08Å; K44-L48 VanDerWaalsContact O-CG 3.26Å; K44-L48 WeakPolarHBondContact O-CG 3.34Å; K44-L48 PolarHBondContact O-N 3.42Å
45G98.3Very high97.7Very high0 Ų060.1 Ų60.10%028%0.281CS..Hα-helixtrans-63.1-41.817800000112.3K41 V42 L48 L49K41-G45 PolarHBondContact O-N 3.41Å; V42-G45 PolarHBondContact O-N 2.98Å; G45-L48 PolarHBondContact O-N 3.39Å; G45-L49 WeakPolarHBondContact O-CB 3.37Å; G45-L49 VanDerWaalsContact O-CG 3.29Å; G45-L49 WeakPolarHBondContact O-CG 3.49Å; G45-L49 PolarHBondContact O-N 3.36Å
46L98.4Very high97.7Very high23 Ų2359.7 Ų59.712%0.1228%0.277CS..Hα-helixtrans-62.5-46.4175.5-73.7169.5000112.2V42 F43 L48 L49 E50 L88 Q92V42-L46 HydrophobicContact CG1-CD1 4.05Å; V42-L46 WeakPolarHBondContact O-CG 3.28Å; V42-L46 PolarHBondContact O-N 3.28Å; F43-L46 PolarHBondContact O-N 2.91Å; L46-L48 VanDerWaalsContact C-N 3.34Å; L46-L48 PolarHBondContact O-N 3.34Å; L46-L49 PolarHBondContact O-N 2.94Å; L46-E50 VanDerWaalsContact O-CB 3.3Å; L46-E50 WeakPolarHBondContact O-CB 3.14Å; L46-E50 PolarHBondContact O-N 2.98Å; L46-L88 HydrophobicContact CD2-CB 3.65Å; L46-L88 HydrophobicContact CG-CB 3.88Å; L46-L88 HydrophobicContact CG-CD1 4.41Å; L46-Q92 HydrophobicContact CD1-CG 4.01Å
47D98.3Very high97.5Very high67 Ų6755 Ų5536%0.35827%0.274SS..Hα-helixtrans-59.5-42.2177171.281.3000112.2F43 K44 K51F43-D47 PolarHBondContact O-N 3.11Å; K44-D47 PolarHBondContact O-N 3.45Å; D47-K51 VanDerWaalsContact CG-NZ 3.26Å; D47-K51 WeakPolarHBondContact O-CG 3.25Å; D47-K51 PolarHBondContact O-N 2.81Å; D47-K51 VanDerWaalsContact O-N 3.12Å; D47-K51 WeakPolarHBondContact OD1-CE 3.48Å; D47-K51 IonicContact OD1-NZ 2.88Å; D47-K51 PolarHBondContact OD1-NZ 3.47Å; D47-K51 VanDerWaalsContact OD1-NZ 3.08Å; D47-K51 IonicContact OD2-NZ 3.26Å; D47-K51 PolarHBondContact OD2-NZ 3.21Å
48L98.3Very high97.5Very high16 Ų1657 Ų578%0.08428%0.281CS..Hα-helixtrans-67.9-42.2178.3-67169.4000112.3L15 T18 L22 K44 G45 L46 K51 A52L15-L48 HydrophobicContact CD2-CB 4.4Å; L15-L48 HydrophobicContact CD2-CD2 3.49Å; L15-L48 VanDerWaalsContact CD2-CD2 3.49Å; T18-L48 HydrophobicContact CG2-CD1 3.48Å; T18-L48 VanDerWaalsContact CG2-CD1 3.48Å; L22-L48 HydrophobicContact CD1-CD1 3.9Å; K44-L48 HydrophobicContact CG-CD1 4.08Å; K44-L48 VanDerWaalsContact O-CG 3.26Å; K44-L48 WeakPolarHBondContact O-CG 3.34Å; K44-L48 PolarHBondContact O-N 3.42Å; G45-L48 PolarHBondContact O-N 3.39Å; L46-L48 VanDerWaalsContact C-N 3.34Å; L46-L48 PolarHBondContact O-N 3.34Å; L48-K51 PolarHBondContact O-N 2.95Å; L48-A52 WeakPolarHBondContact O-CB 3.23Å; L48-A52 PolarHBondContact O-N 3.36Å
49L98.3Very high97.3Very high0 Ų061.4 Ų61.40%030%0.304CS..Hα-helixtrans-73-30.2178.6-67.8177.3000112.6G45 L46 A52 A53 F84 Q85 L88G45-L49 WeakPolarHBondContact O-CB 3.37Å; G45-L49 VanDerWaalsContact O-CG 3.29Å; G45-L49 WeakPolarHBondContact O-CG 3.49Å; G45-L49 PolarHBondContact O-N 3.36Å; L46-L49 PolarHBondContact O-N 2.94Å; L49-A52 PolarHBondContact O-N 2.98Å; L49-A53 WeakPolarHBondContact O-CB 3.5Å; L49-A53 PolarHBondContact O-N 3.19Å; L49-F84 HydrophobicContact CD1-CB 3.51Å; L49-F84 HydrophobicContact CD2-CD2 4.45Å; L49-Q85 HydrophobicContact CB-CG 3.78Å; L49-Q85 HydrophobicContact CD1-CG 4.26Å; L49-Q85 PolarHBondContact O-NE2 3.03Å; L49-L88 HydrophobicContact CD1-CD1 3.81Å
50E97.9Very high97Very high129 Ų12966.3 Ų66.360%0.60333%0.331SS*.Hα-helixtrans-63.2-47.7171.2-175.5171.7-161.200110.6L46 A52 A53 E54L46-E50 VanDerWaalsContact O-CB 3.3Å; L46-E50 WeakPolarHBondContact O-CB 3.14Å; L46-E50 PolarHBondContact O-N 2.98Å; E50-A52 VanDerWaalsContact C-N 3.33Å; E50-A52 PolarHBondContact O-N 2.76Å; E50-A53 PolarHBondContact O-N 3.3Å; E50-E54 PolarHBondContact O-N 3.43Å
51K97.8Very high96.6Very high90 Ų9064.1 Ų64.139%0.39132%0.322SS..Hα-helixtrans-60.9-41172.9-70.7166.6-176.8162.40112.3L15 D47 L48 E54 M55L15-K51 HydrophobicContact CD1-CB 3.84Å; L15-K51 HydrophobicContact CD2-CB 4.36Å; D47-K51 VanDerWaalsContact CG-NZ 3.26Å; D47-K51 WeakPolarHBondContact O-CG 3.25Å; D47-K51 PolarHBondContact O-N 2.81Å; D47-K51 VanDerWaalsContact O-N 3.12Å; D47-K51 WeakPolarHBondContact OD1-CE 3.48Å; D47-K51 IonicContact OD1-NZ 2.88Å; D47-K51 PolarHBondContact OD1-NZ 3.47Å; D47-K51 VanDerWaalsContact OD1-NZ 3.08Å; D47-K51 IonicContact OD2-NZ 3.26Å; D47-K51 PolarHBondContact OD2-NZ 3.21Å; L48-K51 PolarHBondContact O-N 2.95Å; K51-E54 PolarHBondContact O-N 3.08Å; K51-M55 WeakPolarHBondContact O-CG 3.5Å; K51-M55 PolarHBondContact O-N 3.35Å
52A97.7Very high96.2Very high0 Ų062.7 Ų62.70%032%0.316CS..Hα-helixtrans-62-44.4175.600000111.4L12 L15 L48 L49 E50 E54 M55 L56L12-A52 HydrophobicContact CD1-CB 3.94Å; L15-A52 HydrophobicContact CB-CB 4.04Å; L48-A52 WeakPolarHBondContact O-CB 3.23Å; L48-A52 PolarHBondContact O-N 3.36Å; L49-A52 PolarHBondContact O-N 2.98Å; E50-A52 VanDerWaalsContact C-N 3.33Å; E50-A52 PolarHBondContact O-N 2.76Å; A52-E54 VanDerWaalsContact C-N 3.35Å; A52-E54 PolarHBondContact O-N 3.29Å; A52-M55 PolarHBondContact O-N 2.68Å; A52-L56 WeakPolarHBondContact O-CB 3.34Å; A52-L56 VanDerWaalsContact O-CG 3.23Å; A52-L56 WeakPolarHBondContact O-CG 3.41Å; A52-L56 PolarHBondContact O-N 2.84Å
53A97Very high95.8Very high31 Ų3164.7 Ų64.726%0.25633%0.33SS..Hα-helixtrans-62.6-40.3176.900000112.2L49 E50 L56 S57 V81L49-A53 WeakPolarHBondContact O-CB 3.5Å; L49-A53 PolarHBondContact O-N 3.19Å; E50-A53 PolarHBondContact O-N 3.3Å; A53-L56 PolarHBondContact O-N 3Å; A53-S57 PolarHBondContact O-N 2.91Å; A53-V81 HydrophobicContact CB-CG1 3.95Å
54E96.7Very high95.1Very high118 Ų11867.7 Ų67.755%0.55134%0.338SS*.Hα-helixtrans-62.3-46.9174.9-172.6179.9179.800111.4E50 K51 A52 L56 S57 Q58E50-E54 PolarHBondContact O-N 3.43Å; K51-E54 PolarHBondContact O-N 3.08Å; A52-E54 VanDerWaalsContact C-N 3.35Å; A52-E54 PolarHBondContact O-N 3.29Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 2.92Å; E54-S57 WeakPolarHBondContact O-CB 3.5Å; E54-S57 PolarHBondContact O-N 3.37Å; E54-Q58 WeakPolarHBondContact O-CG 3.22Å; E54-Q58 PolarHBondContact O-N 3.41Å
55M96.5Very high94.4Very high59 Ų5969.4 Ų69.429%0.29135%0.352SS..Hα-helixtrans-60.9-41.5175.7-70.7-176.575.900112.2L12 L15 K51 A52 S57 Q58 L59L12-M55 HydrophobicContact CB-CE 3.88Å; L12-M55 HydrophobicContact CB-SD 4.13Å; L12-M55 HydrophobicContact CD1-CB 4.3Å; L15-M55 HydrophobicContact CD1-SD 3.53Å; L15-M55 VanDerWaalsContact CD1-SD 3.53Å; K51-M55 WeakPolarHBondContact O-CG 3.5Å; K51-M55 PolarHBondContact O-N 3.35Å; A52-M55 PolarHBondContact O-N 2.68Å; M55-S57 VanDerWaalsContact C-N 3.32Å; M55-S57 PolarHBondContact O-N 2.94Å; M55-Q58 PolarHBondContact O-N 3.08Å; M55-L59 WeakPolarHBondContact O-CB 3.23Å; M55-L59 VanDerWaalsContact O-CG 3.29Å; M55-L59 WeakPolarHBondContact O-CG 3.41Å; M55-L59 PolarHBondContact O-N 3.15Å
56L95.8Very high93.8Very high16 Ų1672.6 Ų72.68%0.08437%0.367CS..Hα-helixtrans-62.8-39.8176.4-71.7168.1000111.9L12 A52 A53 E54 Q58 L59 D60 L61 F62 Y78 V81L12-L56 HydrophobicContact CD1-CD1 4.46Å; L12-L56 HydrophobicContact CD1-CD2 4.12Å; L12-L56 HydrophobicContact CD1-CG 3.92Å; L12-L56 HydrophobicContact CD2-CD2 3.65Å; L12-L56 HydrophobicContact CD2-CG 4.29Å; L12-L56 HydrophobicContact CG-CD2 4.5Å; A52-L56 WeakPolarHBondContact O-CB 3.34Å; A52-L56 VanDerWaalsContact O-CG 3.23Å; A52-L56 WeakPolarHBondContact O-CG 3.41Å; A52-L56 PolarHBondContact O-N 2.84Å; A53-L56 PolarHBondContact O-N 3Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 2.92Å; L56-Q58 VanDerWaalsContact C-N 3.3Å; L56-Q58 PolarHBondContact O-N 3.44Å; L56-L59 PolarHBondContact O-N 3.06Å; L56-D60 PolarHBondContact O-N 3.47Å; L56-L61 HydrophobicContact CD2-CD1 3.64Å; L56-L61 HydrophobicContact CD2-CG 4.44Å; L56-F62 HydrophobicContact CD2-CE2 4.31Å; L56-Y78 HydrophobicContact CD1-CG 4.43Å; L56-Y78 HydrophobicContact CD2-CD1 4.41Å; L56-Y78 HydrophobicContact CD2-CD2 4.06Å; L56-Y78 HydrophobicContact CD2-CG 3.79Å; L56-V81 HydrophobicContact CD1-CB 4.2Å; L56-V81 HydrophobicContact CD1-CG2 3.79Å
57S94.1Very high93.3Very high95 Ų9575.6 Ų75.666%0.66438%0.383SS*.Hα-helixtrans-66.2-31.8174.9-175.70000112.7A53 E54 M55A53-S57 PolarHBondContact O-N 2.91Å; E54-S57 WeakPolarHBondContact O-CB 3.5Å; E54-S57 PolarHBondContact O-N 3.37Å; M55-S57 VanDerWaalsContact C-N 3.32Å; M55-S57 PolarHBondContact O-N 2.94Å
58Q95.1Very high92.9Very high139 Ų13973 Ų7365%0.6537%0.369SS*.Hα-helixtrans-77.1-34.8176.8-69.9174.911.900112.5E54 M55 L56 D60E54-Q58 WeakPolarHBondContact O-CG 3.22Å; E54-Q58 PolarHBondContact O-N 3.41Å; M55-Q58 PolarHBondContact O-N 3.08Å; L56-Q58 VanDerWaalsContact C-N 3.3Å; L56-Q58 PolarHBondContact O-N 3.44Å; Q58-D60 VanDerWaalsContact C-N 3.3Å
59L94.3Very high92.6Very high99 Ų9979.9 Ų79.952%0.51840%0.401SS..Hα-helixtrans-76.7-19.9176.5-68.4173000112.8L12 M55 L56 L61L12-L59 HydrophobicContact CD2-CD1 3.78Å; M55-L59 WeakPolarHBondContact O-CB 3.23Å; M55-L59 VanDerWaalsContact O-CG 3.29Å; M55-L59 WeakPolarHBondContact O-CG 3.41Å; M55-L59 PolarHBondContact O-N 3.15Å; L56-L59 PolarHBondContact O-N 3.06Å; L59-L61 HydrophobicContact CB-CD2 4.18Å; L59-L61 HydrophobicContact CB-CG 3.83Å; L59-L61 HydrophobicContact CD1-CD1 4.32Å; L59-L61 HydrophobicContact CD1-CG 4.41Å; L59-L61 PolarHBondContact O-N 3.34Å
60D92.2Very high92.3Very high120 Ų12086.2 Ų86.264%0.64243%0.431SS*.THydrogen-bonded Turntrans49.941.7-177.3-157.529.3000112.1L56 Q58 F62L56-D60 PolarHBondContact O-N 3.47Å; Q58-D60 VanDerWaalsContact C-N 3.3Å; D60-F62 PolarHBondContact O-N 3.2Å
61L88.4Confident92.1Very high53 Ų5380.6 Ų80.628%0.27741%0.405SS..  trans-63.2-13.9-176.4-70.9-175.4000113.8L12 L56 L59 Y78L12-L61 HydrophobicContact CD2-CD1 4.43Å; L56-L61 HydrophobicContact CD2-CD1 3.64Å; L56-L61 HydrophobicContact CD2-CG 4.44Å; L59-L61 HydrophobicContact CB-CD2 4.18Å; L59-L61 HydrophobicContact CB-CG 3.83Å; L59-L61 HydrophobicContact CD1-CD1 4.32Å; L59-L61 HydrophobicContact CD1-CG 4.41Å; L59-L61 PolarHBondContact O-N 3.34Å; L61-Y78 HydrophobicContact CD1-CD2 4.15Å
62F91Very high92Very high30 Ų3078.7 Ų78.713%0.13241%0.406CS..  trans-133103.3-171.8-57.5-54000111L56 D60 I71 L79 Q115 Y119L56-F62 HydrophobicContact CD2-CE2 4.31Å; D60-F62 PolarHBondContact O-N 3.2Å; F62-I71 HydrophobicContact CD1-CD1 3.84Å; F62-I71 HydrophobicContact CD1-CG1 4.49Å; F62-I71 HydrophobicContact CE1-CD1 3.94Å; F62-I71 HydrophobicContact CE1-CG2 3.94Å; F62-L79 HydrophobicContact CD1-CD2 3.7Å; F62-L79 HydrophobicContact CD1-CG 4.24Å; F62-L79 HydrophobicContact CD2-CD2 3.9Å; F62-L79 HydrophobicContact CE1-CD1 4.41Å; F62-L79 HydrophobicContact CE1-CD2 3.66Å; F62-L79 HydrophobicContact CE1-CG 3.69Å; F62-L79 HydrophobicContact CE2-CD2 3.85Å; F62-L79 HydrophobicContact CE2-CG 4.2Å; F62-L79 HydrophobicContact CG-CD2 3.83Å; F62-L79 HydrophobicContact CZ-CD2 3.72Å; F62-L79 HydrophobicContact CZ-CG 3.65Å; F62-Q115 VanDerWaalsContact CB-NE2 3.26Å; F62-Y119 WeakPolarHBondContact CA-OH 3.43Å; F62-Y119 HydrophobicContact CB-CE2 4.22Å; F62-Y119 VanDerWaalsContact CB-OH 3.24Å; F62-Y119 WeakPolarHBondContact CB-OH 3.25Å; F62-Y119 HydrophobicContact CD1-CE2 4.49Å
63S89.3Confident91.9Very high41 Ų4179.1 Ų79.129%0.28741%0.409SS..  trans-90.9140.6171.4-177.50000112.1N65 E66 Y119S63-N65 PolarHBondContact O-N 3.24Å; S63-E66 VanDerWaalsContact CB-CD 3.48Å; S63-E66 PolarHBondContact N-OE2 3.11Å; S63-E66 PolarHBondContact O-N 2.92Å; S63-Y119 PolarHBondContact N-OH 2.68Å; S63-Y119 PolarHBondContact O-OH 3.12Å
64R83.1Confident91.7Very high179 Ų17981.6 Ų81.668%0.67542%0.421SS*.THydrogen-bonded Turntrans-61.1-15.5177.1-74.6-178.6168.7-174.7-2.8114.9
65N83.8Confident91.6Very high153 Ų15378 Ų7882%0.81841%0.405SS*.THydrogen-bonded Turntrans-1075.1-176.4-56.6-51.6000113.2S63S63-N65 PolarHBondContact O-N 3.24Å
66E86.1Confident91.6Very high67 Ų6775.2 Ų75.231%0.31339%0.392SS..  trans-88.1154.3177.9-78.5166.5175.100111.2S63 E70 Y119S63-E66 VanDerWaalsContact CB-CD 3.48Å; S63-E66 PolarHBondContact N-OE2 3.11Å; S63-E66 PolarHBondContact O-N 2.92Å; E66-E70 VanDerWaalsContact CA-OE2 3.25Å; E66-E70 WeakPolarHBondContact CA-OE2 3.43Å; E66-E70 WeakPolarHBondContact CB-OE2 3.38Å; E66-E70 WeakPolarHBondContact CG-OE2 3.36Å; E66-Y119 HydrophobicContact CB-CE1 3.75Å; E66-Y119 VanDerWaalsContact O-CD1 3.27Å; E66-Y119 WeakPolarHBondContact O-CD1 3.39Å; E66-Y119 VanDerWaalsContact O-CE1 3.32Å; E66-Y119 WeakPolarHBondContact O-CE1 3.4Å; E66-Y119 PolarHBondContact OE2-OH 3.38Å
67D87.1Confident91.6Very high85 Ų8575.7 Ų75.746%0.45539%0.393SS..  trans-88.1156169.3-145.4-28.1000110.6E69 E70D67-E69 PolarHBondContact O-N 3.49Å; D67-E69 VanDerWaalsContact O-N 3.17Å; D67-E70 HydrophobicContact CB-CG 4.32Å; D67-E70 PolarHBondContact N-OE2 3.13Å; D67-E70 WeakPolarHBondContact O-CB 3.45Å; D67-E70 PolarHBondContact O-N 3.23Å
68L91.1Very high91.8Very high13 Ų1371.8 Ų71.87%0.06836%0.364CS..G310 helixtrans-60-32.2-179.7-169.670.1000111.3E70 I71 L76 L79 Y119 V121 R190L68-E70 PolarHBondContact O-N 2.71Å; L68-I71 HydrophobicContact CD1-CD1 4.11Å; L68-I71 PolarHBondContact O-N 3.37Å; L68-L76 HydrophobicContact CD1-CD2 3.64Å; L68-L76 HydrophobicContact CG-CD2 4.16Å; L68-L79 HydrophobicContact CD1-CD1 4.07Å; L68-Y119 HydrophobicContact CD1-CG 4.43Å; L68-V121 HydrophobicContact CD1-CG2 4.02Å; L68-V121 HydrophobicContact CD2-CG2 4.15Å; L68-R190 PolarHBondContact O-NH2 3.41Å
69E90.7Very high91.9Very high160 Ų16065.4 Ų65.475%0.74833%0.334SS*.G310 helixtrans-62.9-23.5177.4-62.3-162.8137.400114.1D67 I71D67-E69 PolarHBondContact O-N 3.49Å; D67-E69 VanDerWaalsContact O-N 3.17Å; E69-I71 VanDerWaalsContact C-N 3.3Å
70E92.4Very high92.1Very high133 Ų13360.9 Ų60.962%0.62131%0.31SS*.G310 helixtrans-81-15.3-179.4-58.7-178.8145.300112.2E66 D67 L68E66-E70 VanDerWaalsContact CA-OE2 3.25Å; E66-E70 WeakPolarHBondContact CA-OE2 3.43Å; E66-E70 WeakPolarHBondContact CB-OE2 3.38Å; E66-E70 WeakPolarHBondContact CG-OE2 3.36Å; D67-E70 HydrophobicContact CB-CG 4.32Å; D67-E70 PolarHBondContact N-OE2 3.13Å; D67-E70 WeakPolarHBondContact O-CB 3.45Å; D67-E70 PolarHBondContact O-N 3.23Å; L68-E70 PolarHBondContact O-N 2.71Å
71I94.5Very high92.4Very high12 Ų1255.2 Ų55.26%0.06228%0.28CS..SBendtrans-82.8129.9177.9-51.6177.1000110.1F62 L68 E69 D75 L76 L79 Y119 R190F62-I71 HydrophobicContact CD1-CD1 3.84Å; F62-I71 HydrophobicContact CD1-CG1 4.49Å; F62-I71 HydrophobicContact CE1-CD1 3.94Å; F62-I71 HydrophobicContact CE1-CG2 3.94Å; L68-I71 HydrophobicContact CD1-CD1 4.11Å; L68-I71 PolarHBondContact O-N 3.37Å; E69-I71 VanDerWaalsContact C-N 3.3Å; I71-D75 HydrophobicContact CG2-CB 4.08Å; I71-L76 HydrophobicContact CB-CD2 4.02Å; I71-L76 HydrophobicContact CD1-CD2 4.32Å; I71-L76 HydrophobicContact CG2-CD2 3.95Å; I71-L76 HydrophobicContact CG2-CG 4.29Å; I71-L79 HydrophobicContact CD1-CD1 4.08Å; I71-Y119 HydrophobicContact CD1-CD1 4.04Å; I71-Y119 HydrophobicContact CD1-CE1 3.72Å; I71-Y119 HydrophobicContact CD1-CE2 4.28Å; I71-Y119 HydrophobicContact CD1-CG 4.45Å; I71-Y119 HydrophobicContact CG1-CE1 4.31Å; I71-R190 PolarHBondContact O-NH1 3.41Å
72A94.9Very high92.9Very high49 Ų4954.1 Ų54.141%0.40528%0.276SS..  trans-56.6138.3173.100000111.7T74 D75 L76A72-T74 PolarHBondContact O-N 2.8Å; A72-T74 VanDerWaalsContact O-N 3.07Å; A72-D75 HydrophobicContact CB-CB 4.37Å; A72-D75 PolarHBondContact O-N 3.32Å; A72-L76 PolarHBondContact O-N 3.25Å
73S95.4Very high93.2Very high9 Ų952.7 Ų52.76%0.06327%0.27CS..THydrogen-bonded Turntrans-56-31.3-176.4-56.60000113.3D75 D186 Y193S73-D75 VanDerWaalsContact C-N 3.35Å; S73-D186 WeakPolarHBondContact CB-OD1 3.42Å; S73-D186 PolarHBondContact OG-OD1 2.69Å; S73-D186 PolarHBondContact OG-OD2 3.27Å; S73-Y193 WeakPolarHBondContact O-CD2 3.49Å
74T92.6Very high93.7Very high84 Ų8450.9 Ų50.952%0.51526%0.257SS..THydrogen-bonded Turntrans-73.4-23.7176.252.60000114.3A72 K77A72-T74 PolarHBondContact O-N 2.8Å; A72-T74 VanDerWaalsContact O-N 3.07Å; T74-K77 WeakPolarHBondContact O-CD 3.44Å; T74-K77 WeakPolarHBondContact O-CE 3.39Å; T74-K77 WeakPolarHBondContact O-CG 3.35Å
75D95.9Very high94.4Very high42 Ų4243.2 Ų43.223%0.22523%0.229CC..THydrogen-bonded Turntrans-95.7-18.5-172.4-63.2-13.4000111.9I71 A72 S73 K77 Y78I71-D75 HydrophobicContact CG2-CB 4.08Å; A72-D75 HydrophobicContact CB-CB 4.37Å; A72-D75 PolarHBondContact O-N 3.32Å; S73-D75 VanDerWaalsContact C-N 3.35Å; D75-K77 PolarHBondContact O-N 2.93Å; D75-Y78 HydrophobicContact CB-CD2 4.05Å; D75-Y78 HydrophobicContact CB-CE2 4.33Å; D75-Y78 WeakPolarHBondContact O-CB 3.21Å; D75-Y78 WeakPolarHBondContact O-CD2 3.35Å; D75-Y78 PolarHBondContact O-N 3.37Å
76L96.1Very high95.1Very high1 Ų136 Ų361%0.00519%0.19CC..G310 helixtrans-49.6-35.3173.7-74177.2000113.2L68 I71 A72 Y78 L79 R190 Y193L68-L76 HydrophobicContact CD1-CD2 3.64Å; L68-L76 HydrophobicContact CG-CD2 4.16Å; I71-L76 HydrophobicContact CB-CD2 4.02Å; I71-L76 HydrophobicContact CD1-CD2 4.32Å; I71-L76 HydrophobicContact CG2-CD2 3.95Å; I71-L76 HydrophobicContact CG2-CG 4.29Å; A72-L76 PolarHBondContact O-N 3.25Å; L76-Y78 PolarHBondContact O-N 2.93Å; L76-L79 HydrophobicContact CD2-CD1 4.34Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.21Å; L76-R190 HydrophobicContact CD1-CG 3.79Å; L76-Y193 HydrophobicContact CB-CG 4.38Å
77K96.1Very high95.7Very high25 Ų2533.2 Ų33.211%0.10918%0.179CC..G310 helixtrans-60.8-29.9179.373.3-170.4-179.2166.60113F16 E17 T74 D75 L79 L80 Y193F16-K77 HydrophobicContact CD1-CD 4.03Å; F16-K77 HydrophobicContact CD1-CG 4.17Å; F16-K77 HydrophobicContact CE1-CB 3.87Å; F16-K77 HydrophobicContact CE1-CD 3.74Å; F16-K77 HydrophobicContact CE1-CG 3.74Å; F16-K77 WeakPolarHBondContact CE2-O 3.32Å; F16-K77 HydrophobicContact CZ-CB 3.75Å; F16-K77 HydrophobicContact CZ-CD 4.43Å; F16-K77 HydrophobicContact CZ-CG 3.93Å; F16-K77 WeakPolarHBondContact CZ-O 3.41Å; E17-K77 IonicContact OE1-NZ 2.8Å; E17-K77 PolarHBondContact OE1-NZ 3.4Å; T74-K77 WeakPolarHBondContact O-CD 3.44Å; T74-K77 WeakPolarHBondContact O-CE 3.39Å; T74-K77 WeakPolarHBondContact O-CG 3.35Å; D75-K77 PolarHBondContact O-N 2.93Å; K77-L79 PolarHBondContact O-N 3.07Å; K77-L80 VanDerWaalsContact O-CB 3.24Å; K77-L80 WeakPolarHBondContact O-CB 3.31Å; K77-L80 WeakPolarHBondContact O-CG 3.39Å; K77-L80 PolarHBondContact O-N 3.44Å; K77-L80 VanDerWaalsContact O-N 3.08Å; K77-Y193 HydrophobicContact CB-CD1 3.69Å; K77-Y193 HydrophobicContact CB-CE1 3.43Å; K77-Y193 VanDerWaalsContact CB-CE1 3.43Å; K77-Y193 HydrophobicContact CB-CE2 4.39Å; K77-Y193 HydrophobicContact CB-CG 4.3Å; K77-Y193 HydrophobicContact CD-CE1 4.27Å
78Y97.8Very high96.2Very high13 Ų1329.1 Ų29.15%0.05116%0.157CC..G310 helixtrans-72.1-18.7-178.2-57.9-54.3000113.1L12 P13 F16 L56 L61 D75 L76 L80 V81L12-Y78 HydrophobicContact CD1-CD1 4.28Å; L12-Y78 HydrophobicContact CD1-CE1 4.15Å; L12-Y78 HydrophobicContact CD2-CD1 4.46Å; L12-Y78 HydrophobicContact CD2-CD2 4.34Å; L12-Y78 HydrophobicContact CD2-CE1 4.13Å; L12-Y78 HydrophobicContact CD2-CE2 4Å; L12-Y78 HydrophobicContact CG-CD1 4.28Å; L12-Y78 HydrophobicContact CG-CE1 3.76Å; L12-Y78 HydrophobicContact CG-CE2 4.48Å; P13-Y78 WeakPolarHBondContact CG-OH 3.24Å; F16-Y78 HydrophobicContact CB-CD1 4.08Å; F16-Y78 HydrophobicContact CB-CE1 3.77Å; F16-Y78 HydrophobicContact CD1-CE1 4.43Å; F16-Y78 AromaticContact CD2-CD1 3.81Å; F16-Y78 HydrophobicContact CD2-CD1 3.81Å; F16-Y78 HydrophobicContact CD2-CE1 4.31Å; F16-Y78 HydrophobicContact CE2-CD1 4.41Å; F16-Y78 AromaticContact CG-CD1 3.9Å; F16-Y78 HydrophobicContact CG-CD1 3.9Å; F16-Y78 AromaticContact CG-CE1 3.92Å; F16-Y78 HydrophobicContact CG-CE1 3.92Å; L56-Y78 HydrophobicContact CD1-CG 4.43Å; L56-Y78 HydrophobicContact CD2-CD1 4.41Å; L56-Y78 HydrophobicContact CD2-CD2 4.06Å; L56-Y78 HydrophobicContact CD2-CG 3.79Å; L61-Y78 HydrophobicContact CD1-CD2 4.15Å; D75-Y78 HydrophobicContact CB-CD2 4.05Å; D75-Y78 HydrophobicContact CB-CE2 4.33Å; D75-Y78 WeakPolarHBondContact O-CB 3.21Å; D75-Y78 WeakPolarHBondContact O-CD2 3.35Å; D75-Y78 PolarHBondContact O-N 3.37Å; L76-Y78 PolarHBondContact O-N 2.93Å; Y78-L80 PolarHBondContact O-N 3.46Å; Y78-L80 VanDerWaalsContact O-N 3.15Å; Y78-V81 WeakPolarHBondContact O-CB 3.5Å; Y78-V81 WeakPolarHBondContact O-CG2 3.17Å; Y78-V81 PolarHBondContact O-N 2.93Å; Y78-V81 VanDerWaalsContact O-N 3.11Å
79L97.3Very high96.6Very high5 Ų528.6 Ų28.63%0.02615%0.154CC..G310 helixtrans-60.4-20.9169-69.8173.3000112.2F62 L68 I71 L76 K77 V81 P82 Y112 Q115 Y119 L197F62-L79 HydrophobicContact CD1-CD2 3.7Å; F62-L79 HydrophobicContact CD1-CG 4.24Å; F62-L79 HydrophobicContact CD2-CD2 3.9Å; F62-L79 HydrophobicContact CE1-CD1 4.41Å; F62-L79 HydrophobicContact CE1-CD2 3.66Å; F62-L79 HydrophobicContact CE1-CG 3.69Å; F62-L79 HydrophobicContact CE2-CD2 3.85Å; F62-L79 HydrophobicContact CE2-CG 4.2Å; F62-L79 HydrophobicContact CG-CD2 3.83Å; F62-L79 HydrophobicContact CZ-CD2 3.72Å; F62-L79 HydrophobicContact CZ-CG 3.65Å; L68-L79 HydrophobicContact CD1-CD1 4.07Å; I71-L79 HydrophobicContact CD1-CD1 4.08Å; L76-L79 HydrophobicContact CD2-CD1 4.34Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.21Å; K77-L79 PolarHBondContact O-N 3.07Å; L79-V81 VanDerWaalsContact C-N 3.32Å; L79-P82 WeakPolarHBondContact O-CD 3.46Å; L79-Y112 VanDerWaalsContact O-CD2 3.22Å; L79-Y112 WeakPolarHBondContact O-CD2 3.37Å; L79-Y112 WeakPolarHBondContact O-CE2 3.49Å; L79-Q115 HydrophobicContact CD2-CG 3.64Å; L79-Y119 HydrophobicContact CD2-CD2 4.2Å; L79-Y119 HydrophobicContact CD2-CE2 4.01Å; L79-L197 HydrophobicContact CB-CD2 3.62Å; L79-L197 HydrophobicContact CD1-CD1 3.97Å; L79-L197 HydrophobicContact CD1-CD2 4.39Å
80L98.2Very high96.9Very high4 Ų422.3 Ų22.32%0.02113%0.125CC..G310 helixtrans-78-13178.2-62.3164.9000113.8F16 K77 Y78 A83 F84 Y112 H196 L197 W200F16-L80 HydrophobicContact CE2-CB 4.44Å; K77-L80 VanDerWaalsContact O-CB 3.24Å; K77-L80 WeakPolarHBondContact O-CB 3.31Å; K77-L80 WeakPolarHBondContact O-CG 3.39Å; K77-L80 PolarHBondContact O-N 3.44Å; K77-L80 VanDerWaalsContact O-N 3.08Å; Y78-L80 PolarHBondContact O-N 3.46Å; Y78-L80 VanDerWaalsContact O-N 3.15Å; L80-A83 WeakPolarHBondContact O-CB 3.44Å; L80-A83 PolarHBondContact O-N 3.37Å; L80-F84 HydrophobicContact CB-CD2 4.31Å; L80-F84 HydrophobicContact CB-CE1 4.17Å; L80-F84 HydrophobicContact CB-CE2 3.9Å; L80-F84 HydrophobicContact CB-CZ 3.82Å; L80-F84 HydrophobicContact CD1-CZ 4Å; L80-F84 HydrophobicContact CG-CZ 4.45Å; L80-F84 PolarHBondContact O-N 2.95Å; L80-Y112 HydrophobicContact CD2-CE2 4.28Å; L80-H196 HydrophobicContact CD1-CB 4.2Å; L80-L197 HydrophobicContact CD2-CD2 3.68Å; L80-L197 HydrophobicContact CD2-CG 4.47Å; L80-L197 HydrophobicContact CG-CD2 3.86Å; L80-W200 HydrophobicContact CD2-CB 3.85Å; L80-W200 VanDerWaalsContact CD2-CD1 3.42Å; L80-W200 HydrophobicContact CD2-CG 3.72Å
81V98.4Very high97.2Very high1 Ų119.9 Ų19.91%0.00611%0.112CC..Hα-helixtrans-53.6-48.5-174.5169.40000112.5F16 A53 L56 Y78 L79 A83 F84 Q85F16-V81 HydrophobicContact CD2-CG2 3.64Å; F16-V81 HydrophobicContact CE2-CG2 3.93Å; A53-V81 HydrophobicContact CB-CG1 3.95Å; L56-V81 HydrophobicContact CD1-CB 4.2Å; L56-V81 HydrophobicContact CD1-CG2 3.79Å; Y78-V81 WeakPolarHBondContact O-CB 3.5Å; Y78-V81 WeakPolarHBondContact O-CG2 3.17Å; Y78-V81 PolarHBondContact O-N 2.93Å; Y78-V81 VanDerWaalsContact O-N 3.11Å; L79-V81 VanDerWaalsContact C-N 3.32Å; V81-A83 VanDerWaalsContact C-N 3.32Å; V81-A83 PolarHBondContact O-N 3.13Å; V81-F84 PolarHBondContact O-N 3.38Å; V81-Q85 HydrophobicContact CG1-CG 4.41Å; V81-Q85 WeakPolarHBondContact O-CG 3.41Å; V81-Q85 PolarHBondContact O-N 2.95Å
82P98.4Very high97.4Very high30 Ų3019.9 Ų19.920%0.19511%0.112CC..Hα-helixtrans-66.6-33.4179.3-15.129.6000112.3L79 Q85 G86 H108 N111L79-P82 WeakPolarHBondContact O-CD 3.46Å; P82-Q85 PolarHBondContact O-N 3.33Å; P82-G86 PolarHBondContact O-N 2.94Å; P82-H108 WeakPolarHBondContact CB-O 3.45Å; P82-H108 WeakPolarHBondContact O-CB 3.49Å; P82-N111 HydrophobicContact CB-CB 4.31Å
83A98.5Very high97.4Very high0 Ų021.3 Ų21.30%012%0.116CC..Hα-helixtrans-63.7-43.7175.100000111.7L80 V81 G86 A87 F109 Y112 W200L80-A83 WeakPolarHBondContact O-CB 3.44Å; L80-A83 PolarHBondContact O-N 3.37Å; V81-A83 VanDerWaalsContact C-N 3.32Å; V81-A83 PolarHBondContact O-N 3.13Å; A83-G86 PolarHBondContact O-N 3.46Å; A83-A87 PolarHBondContact O-N 3.44Å; A83-F109 WeakPolarHBondContact O-CE1 3.47Å; A83-Y112 HydrophobicContact CB-CD1 3.95Å; A83-Y112 HydrophobicContact CB-CD2 3.77Å; A83-Y112 HydrophobicContact CB-CE1 4.25Å; A83-Y112 HydrophobicContact CB-CE2 4.08Å; A83-Y112 HydrophobicContact CB-CG 3.69Å; A83-W200 HydrophobicContact CB-CB 4.35Å; A83-W200 HydrophobicContact CB-CD2 4.02Å; A83-W200 HydrophobicContact CB-CE3 3.61Å; A83-W200 HydrophobicContact CB-CG 4.36Å; A83-W200 HydrophobicContact CB-CZ3 4.22Å
84F98.7Very high97.4Very high4 Ų423.7 Ų23.72%0.01813%0.128CC..Hα-helixtrans-65.7-38.9176.2-64.6-19.4000112.6F16 K20 L23 L49 L80 V81 G86 A87 L88 W200F16-F84 HydrophobicContact CE1-CE2 4.5Å; F16-F84 HydrophobicContact CE2-CD2 4.07Å; F16-F84 AromaticContact CE2-CE2 3.65Å; F16-F84 HydrophobicContact CE2-CE2 3.65Å; F16-F84 HydrophobicContact CZ-CD2 4.45Å; F16-F84 AromaticContact CZ-CE2 3.59Å; F16-F84 HydrophobicContact CZ-CE2 3.59Å; F16-F84 HydrophobicContact CZ-CZ 4.39Å; K20-F84 HydrophobicContact CB-CE2 3.97Å; K20-F84 HydrophobicContact CD-CE2 4.36Å; K20-F84 HydrophobicContact CD-CZ 4.31Å; K20-F84 HydrophobicContact CG-CE2 4.06Å; K20-F84 HydrophobicContact CG-CZ 4.11Å; L23-F84 HydrophobicContact CD2-CB 4.04Å; L23-F84 HydrophobicContact CD2-CD1 3.52Å; L23-F84 HydrophobicContact CD2-CE1 4.17Å; L23-F84 HydrophobicContact CD2-CG 3.93Å; L49-F84 HydrophobicContact CD1-CB 3.51Å; L49-F84 HydrophobicContact CD2-CD2 4.45Å; L80-F84 HydrophobicContact CB-CD2 4.31Å; L80-F84 HydrophobicContact CB-CE1 4.17Å; L80-F84 HydrophobicContact CB-CE2 3.9Å; L80-F84 HydrophobicContact CB-CZ 3.82Å; L80-F84 HydrophobicContact CD1-CZ 4Å; L80-F84 HydrophobicContact CG-CZ 4.45Å; L80-F84 PolarHBondContact O-N 2.95Å; V81-F84 PolarHBondContact O-N 3.38Å; F84-G86 VanDerWaalsContact C-N 3.33Å; F84-G86 PolarHBondContact O-N 2.81Å; F84-A87 PolarHBondContact O-N 3.09Å; F84-L88 PolarHBondContact O-N 3.09Å; F84-W200 AromaticContact CD1-CE2 3.84Å; F84-W200 AromaticContact CD1-CH2 3.91Å; F84-W200 HydrophobicContact CD1-CH2 3.91Å; F84-W200 AromaticContact CD1-CZ2 3.5Å; F84-W200 HydrophobicContact CD1-CZ2 3.5Å; F84-W200 HydrophobicContact CE1-CD2 4.35Å; F84-W200 AromaticContact CE1-CE2 3.44Å; F84-W200 VanDerWaalsContact CE1-CE2 3.44Å; F84-W200 HydrophobicContact CE1-CH2 4.25Å; F84-W200 AromaticContact CE1-CZ2 3.39Å; F84-W200 HydrophobicContact CE1-CZ2 3.39Å; F84-W200 AromaticContact CE1-NE1 3.5Å
85Q98.7Very high97.5Very high18 Ų1824.9 Ų24.98%0.08414%0.137CC..Hα-helixtrans-60.2-43.7172.6-71.7174.5-34.400111.2L49 V81 P82 T89 H108L49-Q85 HydrophobicContact CB-CG 3.78Å; L49-Q85 HydrophobicContact CD1-CG 4.26Å; L49-Q85 PolarHBondContact O-NE2 3.03Å; V81-Q85 HydrophobicContact CG1-CG 4.41Å; V81-Q85 WeakPolarHBondContact O-CG 3.41Å; V81-Q85 PolarHBondContact O-N 2.95Å; P82-Q85 PolarHBondContact O-N 3.33Å; Q85-T89 WeakPolarHBondContact O-CB 3.37Å; Q85-T89 PolarHBondContact O-N 3.42Å; Q85-T89 PolarHBondContact O-OG1 3.09Å; Q85-H108 HydrophobicContact CB-CB 4.26Å; Q85-H108 PolarHBondContact OE1-CE1 3.3Å; Q85-H108 PolarHBondContact OE1-ND1 3.35Å; Q85-H108 VanDerWaalsContact OE1-ND1 3.07Å
86G98.4Very high97.4Very high0 Ų028 Ų280%016%0.162CC..Hα-helixtrans-59.6-49.5174.500000112.2P82 A83 F84 T89 M90 F109P82-G86 PolarHBondContact O-N 2.94Å; A83-G86 PolarHBondContact O-N 3.46Å; F84-G86 VanDerWaalsContact C-N 3.33Å; F84-G86 PolarHBondContact O-N 2.81Å; G86-T89 WeakPolarHBondContact O-CB 3.45Å; G86-T89 PolarHBondContact O-N 3.24Å; G86-M90 WeakPolarHBondContact O-CG 3.38Å; G86-M90 PolarHBondContact O-N 2.91Å; G86-F109 VanDerWaalsContact C-CZ 3.41Å
87A98.4Very high97.4Very high9 Ų933.5 Ų33.57%0.07419%0.186CC..Hα-helixtrans-60.6-50.3179.500000112.6L23 A83 F84 T89 M90 K91 W200L23-A87 HydrophobicContact CD1-CB 3.94Å; L23-A87 HydrophobicContact CD2-CB 4.14Å; A83-A87 PolarHBondContact O-N 3.44Å; F84-A87 PolarHBondContact O-N 3.09Å; A87-T89 VanDerWaalsContact C-N 3.3Å; A87-T89 PolarHBondContact O-N 2.86Å; A87-M90 WeakPolarHBondContact O-CB 3.48Å; A87-M90 PolarHBondContact O-N 3.39Å; A87-K91 WeakPolarHBondContact O-CG 3.46Å; A87-K91 PolarHBondContact O-N 3.5Å; A87-W200 HydrophobicContact CB-CH2 3.74Å; A87-W200 HydrophobicContact CB-CZ3 3.89Å
88L98.4Very high97.4Very high0 Ų034.8 Ų34.80%019%0.19CC..Hα-helixtrans-64.2-36.3176.5-78.1-179.4000112L23 V42 L46 L49 F84 M90 K91L23-L88 HydrophobicContact CB-CD2 4.02Å; L23-L88 HydrophobicContact CB-CG 4.16Å; L23-L88 HydrophobicContact CD1-CD2 3.76Å; L23-L88 HydrophobicContact CD1-CG 3.97Å; L23-L88 HydrophobicContact CG-CD2 4.49Å; V42-L88 WeakPolarHBondContact CG1-O 3.39Å; V42-L88 HydrophobicContact CG2-CD2 4.48Å; L46-L88 HydrophobicContact CD2-CB 3.65Å; L46-L88 HydrophobicContact CG-CB 3.88Å; L46-L88 HydrophobicContact CG-CD1 4.41Å; L49-L88 HydrophobicContact CD1-CD1 3.81Å; F84-L88 PolarHBondContact O-N 3.09Å; L88-M90 PolarHBondContact O-N 3.13Å; L88-K91 WeakPolarHBondContact O-CB 3.38Å; L88-K91 PolarHBondContact O-N 3.27Å
89T98.5Very high97.4Very high1 Ų136.3 Ų36.31%0.00620%0.199CC..Hα-helixtrans-59.4-39.3176.3-64.60000110.8Q85 G86 A87 K91 Q92 H101 R104 A105Q85-T89 WeakPolarHBondContact O-CB 3.37Å; Q85-T89 PolarHBondContact O-N 3.42Å; Q85-T89 PolarHBondContact O-OG1 3.09Å; G86-T89 WeakPolarHBondContact O-CB 3.45Å; G86-T89 PolarHBondContact O-N 3.24Å; A87-T89 VanDerWaalsContact C-N 3.3Å; A87-T89 PolarHBondContact O-N 2.86Å; T89-K91 VanDerWaalsContact C-N 3.26Å; T89-K91 PolarHBondContact O-N 2.91Å; T89-Q92 WeakPolarHBondContact O-CB 3.48Å; T89-Q92 PolarHBondContact O-N 2.81Å; T89-Q92 PolarHBondContact O-NE2 3.4Å; T89-H101 HydrophobicContact CG2-CB 4.34Å; T89-H101 WeakPolarHBondContact CG2-O 3.49Å; T89-R104 HydrophobicContact CG2-CB 4.07Å; T89-A105 HydrophobicContact CG2-CB 3.83Å
90M98.1Very high97.4Very high28 Ų2839.3 Ų39.314%0.13822%0.215CC..Hα-helixtrans-66.2-24.3175.9-71-61.7-79.400113.8G86 A87 L88 Q92 R98 L102 A105 F109 E207 I211G86-M90 WeakPolarHBondContact O-CG 3.38Å; G86-M90 PolarHBondContact O-N 2.91Å; A87-M90 WeakPolarHBondContact O-CB 3.48Å; A87-M90 PolarHBondContact O-N 3.39Å; L88-M90 PolarHBondContact O-N 3.13Å; M90-Q92 VanDerWaalsContact C-N 3.34Å; M90-R98 PolarHBondContact O-NH1 3.46Å; M90-L102 HydrophobicContact CE-CD2 3.96Å; M90-L102 HydrophobicContact SD-CD2 3.85Å; M90-A105 HydrophobicContact CG-CB 3.77Å; M90-A105 HydrophobicContact SD-CB 3.68Å; M90-F109 HydrophobicContact CG-CE2 4.23Å; M90-E207 WeakPolarHBondContact CE-OE2 3.47Å; M90-I211 HydrophobicContact CE-CD1 4.13Å; M90-I211 HydrophobicContact CE-CG1 3.61Å; M90-I211 HydrophobicContact CG-CD1 4.38Å; M90-I211 HydrophobicContact SD-CD1 3.79Å; M90-I211 HydrophobicContact SD-CG1 3.76Å
91K97.8Very high97.4Very high82 Ų8239.3 Ų39.336%0.35722%0.215SC..THydrogen-bonded Turntrans-81.2-8.1177.3-54.4-55.8-177.2-168.30113.9V26 Q39 V42 A87 L88 T89 V93V26-K91 HydrophobicContact CG1-CB 3.99Å; V26-K91 HydrophobicContact CG1-CD 4.3Å; V26-K91 HydrophobicContact CG1-CG 3.75Å; Q39-K91 PolarHBondContact NE2-O 2.88Å; V42-K91 HydrophobicContact CG1-CB 4.39Å; V42-K91 HydrophobicContact CG2-CB 3.71Å; A87-K91 WeakPolarHBondContact O-CG 3.46Å; A87-K91 PolarHBondContact O-N 3.5Å; L88-K91 WeakPolarHBondContact O-CB 3.38Å; L88-K91 PolarHBondContact O-N 3.27Å; T89-K91 VanDerWaalsContact C-N 3.26Å; T89-K91 PolarHBondContact O-N 2.91Å; K91-V93 PolarHBondContact O-N 2.95Å
92Q97.9Very high97.4Very high12 Ų1239.3 Ų39.36%0.05621%0.214CC..  trans-70.1125.3176.8-70.6175.29200111.8V42 L46 T89 M90 H101V42-Q92 HydrophobicContact CG1-CG 3.65Å; L46-Q92 HydrophobicContact CD1-CG 4.01Å; T89-Q92 WeakPolarHBondContact O-CB 3.48Å; T89-Q92 PolarHBondContact O-N 2.81Å; T89-Q92 PolarHBondContact O-NE2 3.4Å; M90-Q92 VanDerWaalsContact C-N 3.34Å; Q92-H101 VanDerWaalsContact CB-CE1 3.48Å; Q92-H101 WeakPolarHBondContact CB-CE1 3.42Å; Q92-H101 WeakPolarHBondContact CB-ND1 3.42Å; Q92-H101 PolarHBondContact O-ND1 3.43Å
93V96.4Very high97.3Very high79 Ų7942 Ų4248%0.47923%0.225SC..  trans-103.692.3179.3-1770000110A33 K91A33-V93 HydrophobicContact CB-CG2 4.37Å; K91-V93 PolarHBondContact O-N 2.95Å
94N95.3Very high97.3Very high60 Ų6045.8 Ų45.832%0.32124%0.239SC..  trans-146.199169.1-171.4-25.5000110.1S96 K97 R98N94-S96 PolarHBondContact O-N 2.92Å; N94-S96 VanDerWaalsContact O-N 3.15Å; N94-S96 PolarHBondContact OD1-N 3.36Å; N94-S96 PolarHBondContact OD1-OG 2.97Å; N94-K97 HydrophobicContact CB-CB 4.39Å; N94-K97 CarbonylContact O-C 3.5Å; N94-K97 PolarHBondContact O-N 3.2Å; N94-R98 PolarHBondContact O-N 3.31Å
95P93.6Very high97.3Very high109 Ų10945.6 Ų45.671%0.70824%0.238SC*.G310 helixtrans-57.5-32.6-175.1-27.835.6000114.3K97 R98P95-K97 VanDerWaalsContact C-N 3.28Å; P95-K97 PolarHBondContact O-N 3.34Å; P95-R98 PolarHBondContact O-N 3.23Å
96S94.6Very high97.2Very high106 Ų10646.2 Ų46.274%0.74124%0.239SC*.G310 helixtrans-69.1-27.5179.769.20000113.1N94N94-S96 PolarHBondContact O-N 2.92Å; N94-S96 VanDerWaalsContact O-N 3.15Å; N94-S96 PolarHBondContact OD1-N 3.36Å; N94-S96 PolarHBondContact OD1-OG 2.97Å
97K96.1Very high97.2Very high117 Ų11751.9 Ų51.951%0.50927%0.266SS..G310 helixtrans-109.39.1-180-64.7-172.8176.8-172.90113N94 P95 L99 D100 H101N94-K97 HydrophobicContact CB-CB 4.39Å; N94-K97 CarbonylContact O-C 3.5Å; N94-K97 PolarHBondContact O-N 3.2Å; P95-K97 VanDerWaalsContact C-N 3.28Å; P95-K97 PolarHBondContact O-N 3.34Å; K97-L99 VanDerWaalsContact C-N 3.28Å; K97-L99 PolarHBondContact O-N 3.47Å; K97-D100 WeakPolarHBondContact O-CB 3.41Å; K97-D100 PolarHBondContact O-N 2.66Å; K97-H101 WeakPolarHBondContact CB-NE2 3.29Å; K97-H101 PolarHBondContact O-CD2 3.11Å; K97-H101 PolarHBondContact O-N 3.43Å
98R96.8Very high97.2Very high53 Ų5353.4 Ų53.420%0.227%0.272CS..Hα-helixtrans-56.2-41.5-174.7-179.857176.7177.42.6112.4M90 N94 P95 D100 H101 L102 E214 L218M90-R98 PolarHBondContact O-NH1 3.46Å; N94-R98 PolarHBondContact O-N 3.31Å; P95-R98 PolarHBondContact O-N 3.23Å; R98-D100 VanDerWaalsContact C-N 3.34Å; R98-D100 PolarHBondContact O-N 2.94Å; R98-H101 PolarHBondContact O-N 3.22Å; R98-L102 HydrophobicContact CG-CD1 4.12Å; R98-L102 HydrophobicContact CG-CG 4.41Å; R98-L102 VanDerWaalsContact O-CG 3.26Å; R98-L102 WeakPolarHBondContact O-CG 3.37Å; R98-L102 PolarHBondContact O-N 2.98Å; R98-E214 IonicContact CZ-OE1 2.75Å; R98-E214 IonicContact CZ-OE2 3.56Å; R98-E214 IonicContact NE-OE1 3.26Å; R98-E214 PolarHBondContact NE-OE1 3.28Å; R98-E214 IonicContact NE-OE2 3.37Å; R98-E214 IonicContact NH2-OE1 2.69Å; R98-E214 PolarHBondContact NH2-OE1 3.45Å; R98-E214 IonicContact NH2-OE2 3.49Å; R98-E214 PolarHBondContact NH2-OE2 2.69Å; R98-L218 HydrophobicContact CG-CD1 3.96Å
99L96.3Very high97.2Very high45 Ų4553.5 Ų53.524%0.23627%0.272CS..Hα-helixtrans-61.5-42.4177.7-176.863.2000112.2K97 L102 Q103 I215K97-L99 VanDerWaalsContact C-N 3.28Å; K97-L99 PolarHBondContact O-N 3.47Å; L99-L102 PolarHBondContact O-N 3.18Å; L99-Q103 WeakPolarHBondContact O-CG 3.47Å; L99-Q103 PolarHBondContact O-N 3.27Å; L99-I215 HydrophobicContact CD1-CG1 4.2Å; L99-I215 HydrophobicContact CD1-CG2 4.14Å
100D97.4Very high97.2Very high68 Ų6854.1 Ų54.136%0.36428%0.275SS..Hα-helixtrans-63.4-44.6175.6170.475.1000111.3K97 R98 L102 Q103 R104K97-D100 WeakPolarHBondContact O-CB 3.41Å; K97-D100 PolarHBondContact O-N 2.66Å; R98-D100 VanDerWaalsContact C-N 3.34Å; R98-D100 PolarHBondContact O-N 2.94Å; D100-L102 VanDerWaalsContact C-N 3.32Å; D100-L102 PolarHBondContact O-N 3.48Å; D100-Q103 PolarHBondContact O-N 3.36Å; D100-R104 PolarHBondContact O-N 3.32Å; D100-R104 IonicContact OD1-NE 3.5Å; D100-R104 IonicContact OD2-CZ 3.04Å; D100-R104 VanDerWaalsContact OD2-CZ 3.26Å; D100-R104 IonicContact OD2-NE 2.91Å; D100-R104 PolarHBondContact OD2-NE 3Å; D100-R104 IonicContact OD2-NH2 3.06Å; D100-R104 PolarHBondContact OD2-NH2 2.95Å
101H98.1Very high97.1Very high4 Ų456.6 Ų56.62%0.01929%0.289CS..Hα-helixtrans-59.6-43.5176.8-60.9-178.1000111.4T89 Q92 K97 R98 R104 A105T89-H101 HydrophobicContact CG2-CB 4.34Å; T89-H101 WeakPolarHBondContact CG2-O 3.49Å; Q92-H101 VanDerWaalsContact CB-CE1 3.48Å; Q92-H101 WeakPolarHBondContact CB-CE1 3.42Å; Q92-H101 WeakPolarHBondContact CB-ND1 3.42Å; Q92-H101 PolarHBondContact O-ND1 3.43Å; K97-H101 WeakPolarHBondContact CB-NE2 3.29Å; K97-H101 PolarHBondContact O-CD2 3.11Å; K97-H101 PolarHBondContact O-N 3.43Å; R98-H101 PolarHBondContact O-N 3.22Å; H101-R104 PolarHBondContact CD2-NH2 3.21Å; H101-R104 PolarHBondContact O-N 2.89Å; H101-A105 VanDerWaalsContact O-CB 3.3Å; H101-A105 WeakPolarHBondContact O-CB 3.46Å; H101-A105 PolarHBondContact O-N 3.35Å
102L97.9Very high97.1Very high0 Ų052.7 Ų52.70%027%0.272CS..Hα-helixtrans-63.4-42177.2-71.1170.4000112.1M90 R98 L99 D100 R106 I211 E214 I215 L218M90-L102 HydrophobicContact CE-CD2 3.96Å; M90-L102 HydrophobicContact SD-CD2 3.85Å; R98-L102 HydrophobicContact CG-CD1 4.12Å; R98-L102 HydrophobicContact CG-CG 4.41Å; R98-L102 VanDerWaalsContact O-CG 3.26Å; R98-L102 WeakPolarHBondContact O-CG 3.37Å; R98-L102 PolarHBondContact O-N 2.98Å; L99-L102 PolarHBondContact O-N 3.18Å; D100-L102 VanDerWaalsContact C-N 3.32Å; D100-L102 PolarHBondContact O-N 3.48Å; L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.02Å; L102-I211 HydrophobicContact CB-CG2 4.09Å; L102-I211 HydrophobicContact CD2-CB 4.36Å; L102-I211 HydrophobicContact CD2-CG1 3.96Å; L102-I211 HydrophobicContact CD2-CG2 4.13Å; L102-I211 WeakPolarHBondContact O-CG2 3.39Å; L102-E214 HydrophobicContact CD1-CB 4.06Å; L102-E214 HydrophobicContact CD1-CG 3.78Å; L102-E214 WeakPolarHBondContact CD2-OE2 3.45Å; L102-I215 HydrophobicContact CB-CD1 4Å; L102-I215 HydrophobicContact CB-CG1 3.75Å; L102-I215 HydrophobicContact CD1-CG1 3.94Å; L102-I215 HydrophobicContact CG-CG1 4.44Å; L102-L218 HydrophobicContact CD1-CD1 3.49Å; L102-L218 VanDerWaalsContact CD1-CD1 3.49Å
103Q97.4Very high97.1Very high88 Ų8852.1 Ų52.141%0.41127%0.269SS..Hα-helixtrans-65.1-44.8177.8-71.8175.4-57.600111.7L99 D100 R106 E107 I215L99-Q103 WeakPolarHBondContact O-CG 3.47Å; L99-Q103 PolarHBondContact O-N 3.27Å; D100-Q103 PolarHBondContact O-N 3.36Å; Q103-R106 PolarHBondContact O-N 3.31Å; Q103-E107 PolarHBondContact O-N 3.39Å; Q103-E107 VanDerWaalsContact O-N 3.08Å; Q103-I215 HydrophobicContact CG-CD1 4.33Å
104R98.1Very high97.1Very high79 Ų7950.5 Ų50.530%0.29826%0.259SS..Hα-helixtrans-63.3-46175.7-73-168.6-77.3139.4-7112.2T89 D100 H101 R106 E107 H108T89-R104 HydrophobicContact CG2-CB 4.07Å; D100-R104 PolarHBondContact O-N 3.32Å; D100-R104 IonicContact OD1-NE 3.5Å; D100-R104 IonicContact OD2-CZ 3.04Å; D100-R104 VanDerWaalsContact OD2-CZ 3.26Å; D100-R104 IonicContact OD2-NE 2.91Å; D100-R104 PolarHBondContact OD2-NE 3Å; D100-R104 IonicContact OD2-NH2 3.06Å; D100-R104 PolarHBondContact OD2-NH2 2.95Å; H101-R104 PolarHBondContact CD2-NH2 3.21Å; H101-R104 PolarHBondContact O-N 2.89Å; R104-R106 VanDerWaalsContact C-N 3.31Å; R104-R106 PolarHBondContact O-N 2.99Å; R104-E107 WeakPolarHBondContact O-CB 3.38Å; R104-E107 PolarHBondContact O-N 3.07Å; R104-E107 VanDerWaalsContact O-N 3.17Å; R104-H108 PolarHBondContact O-CD2 2.95Å; R104-H108 PolarHBondContact O-N 3.42Å
105A98.4Very high97Very high0 Ų049.6 Ų49.60%025%0.253CS..Hα-helixtrans-59.3-43.317700000111.6T89 M90 H101 E107 H108 F109 I211T89-A105 HydrophobicContact CG2-CB 3.83Å; M90-A105 HydrophobicContact CG-CB 3.77Å; M90-A105 HydrophobicContact SD-CB 3.68Å; H101-A105 VanDerWaalsContact O-CB 3.3Å; H101-A105 WeakPolarHBondContact O-CB 3.46Å; H101-A105 PolarHBondContact O-N 3.35Å; A105-E107 VanDerWaalsContact C-N 3.32Å; A105-E107 PolarHBondContact O-N 2.88Å; A105-H108 PolarHBondContact O-N 2.92Å; A105-F109 HydrophobicContact CB-CE2 4.38Å; A105-F109 WeakPolarHBondContact O-CD2 3.37Å; A105-F109 PolarHBondContact O-N 2.84Å; A105-I211 HydrophobicContact CB-CD1 3.92Å
106R97.9Very high97.1Very high30 Ų3044.4 Ų44.411%0.11322%0.22CC..Hα-helixtrans-59.9-40.9176.1-166.2-175.4-176.5-71.6-4.5112.4L102 Q103 R104 M110 K128 I211 D212L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.02Å; Q103-R106 PolarHBondContact O-N 3.31Å; R104-R106 VanDerWaalsContact C-N 3.31Å; R104-R106 PolarHBondContact O-N 2.99Å; R106-M110 WeakPolarHBondContact O-CB 3.4Å; R106-M110 PolarHBondContact O-N 3.5Å; R106-K128 PolarHBondContact NH2-O 3.26Å; R106-I211 HydrophobicContact CB-CG2 4Å; R106-I211 HydrophobicContact CG-CG2 4.4Å; R106-D212 IonicContact CZ-OD1 3.94Å; R106-D212 IonicContact CZ-OD2 3.49Å; R106-D212 IonicContact NE-OD1 3.08Å; R106-D212 PolarHBondContact NE-OD1 2.88Å; R106-D212 IonicContact NE-OD2 3.74Å; R106-D212 PolarHBondContact NE-OD2 3.42Å; R106-D212 IonicContact NH2-OD1 3.95Å; R106-D212 IonicContact NH2-OD2 3Å; R106-D212 PolarHBondContact NH2-OD2 3.43Å
107E97.9Very high97.1Very high120 Ų12043.2 Ų43.256%0.56120%0.202SC*.Hα-helixtrans-64.7-47.8176.9-177.6174.5-177.500111.4Q103 R104 A105 F109 M110 N111Q103-E107 PolarHBondContact O-N 3.39Å; Q103-E107 VanDerWaalsContact O-N 3.08Å; R104-E107 WeakPolarHBondContact O-CB 3.38Å; R104-E107 PolarHBondContact O-N 3.07Å; R104-E107 VanDerWaalsContact O-N 3.17Å; A105-E107 VanDerWaalsContact C-N 3.32Å; A105-E107 PolarHBondContact O-N 2.88Å; E107-F109 PolarHBondContact O-N 3.22Å; E107-M110 PolarHBondContact O-N 2.76Å; E107-N111 WeakPolarHBondContact O-CB 3.12Å; E107-N111 VanDerWaalsContact O-CG 3.22Å; E107-N111 PolarHBondContact O-N 2.97Å
108H98.5Very high97Very high41 Ų4139.5 Ų39.519%0.1919%0.19CC..Hα-helixtrans-57.6-46.5176.1-73.6-58.1000112.7P82 Q85 R104 A105 N111 Y112P82-H108 WeakPolarHBondContact CB-O 3.45Å; P82-H108 WeakPolarHBondContact O-CB 3.49Å; Q85-H108 HydrophobicContact CB-CB 4.26Å; Q85-H108 PolarHBondContact OE1-CE1 3.3Å; Q85-H108 PolarHBondContact OE1-ND1 3.35Å; Q85-H108 VanDerWaalsContact OE1-ND1 3.07Å; R104-H108 PolarHBondContact O-CD2 2.95Å; R104-H108 PolarHBondContact O-N 3.42Å; A105-H108 PolarHBondContact O-N 2.92Å; H108-N111 PolarHBondContact O-N 3.39Å; H108-Y112 PolarHBondContact O-N 2.97Å
109F98.6Very high96.9Very high1 Ų137 Ų370%0.00418%0.181CC..Hα-helixtrans-66.1-38.2176.1-70.5-52.4000112.7A83 G86 M90 A105 E107 Y112 L113 S204 E207 I208 I211A83-F109 WeakPolarHBondContact O-CE1 3.47Å; G86-F109 VanDerWaalsContact C-CZ 3.41Å; M90-F109 HydrophobicContact CG-CE2 4.23Å; A105-F109 HydrophobicContact CB-CE2 4.38Å; A105-F109 WeakPolarHBondContact O-CD2 3.37Å; A105-F109 PolarHBondContact O-N 2.84Å; E107-F109 PolarHBondContact O-N 3.22Å; F109-Y112 WeakPolarHBondContact O-CB 3.3Å; F109-Y112 PolarHBondContact O-N 3.36Å; F109-L113 WeakPolarHBondContact O-CB 3.36Å; F109-L113 WeakPolarHBondContact O-CG 3.36Å; F109-L113 PolarHBondContact O-N 2.95Å; F109-S204 VanDerWaalsContact CD1-OG 3.29Å; F109-S204 WeakPolarHBondContact CD1-OG 3.26Å; F109-E207 HydrophobicContact CD2-CB 4.03Å; F109-E207 HydrophobicContact CE2-CB 3.58Å; F109-E207 HydrophobicContact CE2-CG 4.06Å; F109-E207 HydrophobicContact CZ-CB 3.9Å; F109-E207 HydrophobicContact CZ-CG 3.93Å; F109-I208 HydrophobicContact CB-CD1 3.78Å; F109-I208 HydrophobicContact CB-CG1 3.81Å; F109-I211 HydrophobicContact CD2-CD1 3.85Å; F109-I211 HydrophobicContact CE2-CD1 3.93Å
110M97.5Very high96.7Very high15 Ų1541.8 Ų41.87%0.07420%0.202CC..Hα-helixtrans-67.2-37.6174.4-82.8-52-70.500112.7R106 E107 Y112 L113 T114 L126 P127 I208R106-M110 WeakPolarHBondContact O-CB 3.4Å; R106-M110 PolarHBondContact O-N 3.5Å; E107-M110 PolarHBondContact O-N 2.76Å; M110-Y112 VanDerWaalsContact C-N 3.32Å; M110-L113 PolarHBondContact O-N 3.26Å; M110-L113 HydrophobicContact SD-CD1 4.36Å; M110-T114 VanDerWaalsContact O-CB 3.25Å; M110-T114 WeakPolarHBondContact O-CB 3.38Å; M110-T114 PolarHBondContact O-N 3.27Å; M110-T114 PolarHBondContact O-OG1 3.45Å; M110-L126 HydrophobicContact CE-CD2 4.14Å; M110-P127 HydrophobicContact CE-CB 4.48Å; M110-P127 WeakPolarHBondContact CE-O 3.37Å; M110-P127 HydrophobicContact SD-CB 3.8Å; M110-P127 HydrophobicContact SD-CG 3.92Å; M110-I208 HydrophobicContact CG-CD1 4.01Å; M110-I208 HydrophobicContact SD-CD1 3.65Å
111N96.4Very high96.6Very high80 Ų8038.7 Ų38.743%0.42819%0.186SC..Hα-helixtrans-61.5-45.3175.2-71.1-14.2000110.4P82 E107 H108 T114 Q115P82-N111 HydrophobicContact CB-CB 4.31Å; E107-N111 WeakPolarHBondContact O-CB 3.12Å; E107-N111 VanDerWaalsContact O-CG 3.22Å; E107-N111 PolarHBondContact O-N 2.97Å; H108-N111 PolarHBondContact O-N 3.39Å; N111-T114 PolarHBondContact O-N 3.04Å; N111-Q115 WeakPolarHBondContact O-CB 3.45Å; N111-Q115 PolarHBondContact O-N 2.96Å
112Y98.1Very high96.3Very high0 Ų040 Ų400%020%0.197CC..Hα-helixtrans-57.3-55.1173.9173.3-109.6000112.6L79 L80 A83 H108 F109 M110 T114 Q115 C116 L197 W200 I201 S204L79-Y112 VanDerWaalsContact O-CD2 3.22Å; L79-Y112 WeakPolarHBondContact O-CD2 3.37Å; L79-Y112 WeakPolarHBondContact O-CE2 3.49Å; L80-Y112 HydrophobicContact CD2-CE2 4.28Å; A83-Y112 HydrophobicContact CB-CD1 3.95Å; A83-Y112 HydrophobicContact CB-CD2 3.77Å; A83-Y112 HydrophobicContact CB-CE1 4.25Å; A83-Y112 HydrophobicContact CB-CE2 4.08Å; A83-Y112 HydrophobicContact CB-CG 3.69Å; H108-Y112 PolarHBondContact O-N 2.97Å; F109-Y112 WeakPolarHBondContact O-CB 3.3Å; F109-Y112 PolarHBondContact O-N 3.36Å; M110-Y112 VanDerWaalsContact C-N 3.32Å; Y112-T114 VanDerWaalsContact C-N 3.31Å; Y112-T114 PolarHBondContact O-N 3.01Å; Y112-Q115 WeakPolarHBondContact O-CB 3.43Å; Y112-Q115 PolarHBondContact O-N 3.4Å; Y112-Q115 VanDerWaalsContact O-N 3.17Å; Y112-C116 WeakPolarHBondContact CE2-SG 3.27Å; Y112-C116 PolarHBondContact O-N 2.94Å; Y112-L197 HydrophobicContact CE2-CD2 4.13Å; Y112-L197 WeakPolarHBondContact OH-CA 3.5Å; Y112-L197 PolarHBondContact OH-O 3.32Å; Y112-W200 VanDerWaalsContact CE1-C 3.43Å; Y112-W200 HydrophobicContact CE1-CB 3.88Å; Y112-W200 WeakPolarHBondContact CE1-O 3.23Å; Y112-W200 HydrophobicContact CE2-CB 4.5Å; Y112-W200 WeakPolarHBondContact OH-CB 3.42Å; Y112-I201 HydrophobicContact CE1-CG1 3.96Å; Y112-I201 PolarHBondContact OH-N 3.39Å; Y112-S204 VanDerWaalsContact CD1-OG 3.23Å; Y112-S204 WeakPolarHBondContact CD1-OG 3.48Å
113L97.5Very high96Very high0 Ų049.8 Ų49.80%024%0.243CC..Hα-helixtrans-61.9-39.9-178.9-71178.2000111.9F109 M110 Q115 C116 H117 F124 L126 P127 I201 L205 I208F109-L113 WeakPolarHBondContact O-CB 3.36Å; F109-L113 WeakPolarHBondContact O-CG 3.36Å; F109-L113 PolarHBondContact O-N 2.95Å; M110-L113 PolarHBondContact O-N 3.26Å; M110-L113 HydrophobicContact SD-CD1 4.36Å; L113-Q115 VanDerWaalsContact C-N 3.3Å; L113-Q115 PolarHBondContact O-N 3.37Å; L113-C116 PolarHBondContact O-N 2.68Å; L113-H117 VanDerWaalsContact O-CB 3.28Å; L113-H117 WeakPolarHBondContact O-CB 3.06Å; L113-H117 PolarHBondContact O-N 3.45Å; L113-F124 HydrophobicContact CB-CE2 4.07Å; L113-F124 HydrophobicContact CB-CZ 4.33Å; L113-F124 HydrophobicContact CD2-CD2 4.49Å; L113-F124 HydrophobicContact CD2-CE2 3.79Å; L113-F124 HydrophobicContact CD2-CZ 4.06Å; L113-F124 HydrophobicContact CG-CE2 4.4Å; L113-F124 WeakPolarHBondContact O-CZ 3.48Å; L113-L126 HydrophobicContact CB-CD2 3.8Å; L113-P127 HydrophobicContact CD1-CG 3.91Å; L113-I201 HydrophobicContact CD2-CB 4.24Å; L113-I201 HydrophobicContact CD2-CG1 4.24Å; L113-I201 HydrophobicContact CD2-CG2 3.94Å; L113-L205 HydrophobicContact CD1-CD2 3.73Å; L113-L205 HydrophobicContact CD1-CG 4.22Å; L113-L205 HydrophobicContact CD2-CD2 4.48Å; L113-L205 HydrophobicContact CD2-CG 4.29Å; L113-I208 HydrophobicContact CD1-CD1 3.57Å
114T95.6Very high95.7Very high44 Ų4447.2 Ų47.227%0.2723%0.23SC..Hα-helixtrans-60.7-44.1177.2-57.80000110.4M110 N111 Y112 H117 C118M110-T114 VanDerWaalsContact O-CB 3.25Å; M110-T114 WeakPolarHBondContact O-CB 3.38Å; M110-T114 PolarHBondContact O-N 3.27Å; M110-T114 PolarHBondContact O-OG1 3.45Å; N111-T114 PolarHBondContact O-N 3.04Å; Y112-T114 VanDerWaalsContact C-N 3.31Å; Y112-T114 PolarHBondContact O-N 3.01Å; T114-H117 PolarHBondContact O-N 3.3Å; T114-C118 PolarHBondContact O-N 3.42Å; T114-C118 PolarHBondContact O-SG 2.9Å; T114-C118 VanDerWaalsContact O-SG 3.35Å
115Q94.4Very high95.3Very high42 Ų4252 Ų5220%0.19626%0.256CS..Hα-helixtrans-64.3-47.9177.9-16072.4-12.700111.3F62 L79 N111 Y112 L113 H117 C118 Y119F62-Q115 VanDerWaalsContact CB-NE2 3.26Å; L79-Q115 HydrophobicContact CD2-CG 3.64Å; N111-Q115 WeakPolarHBondContact O-CB 3.45Å; N111-Q115 PolarHBondContact O-N 2.96Å; Y112-Q115 WeakPolarHBondContact O-CB 3.43Å; Y112-Q115 PolarHBondContact O-N 3.4Å; Y112-Q115 VanDerWaalsContact O-N 3.17Å; L113-Q115 VanDerWaalsContact C-N 3.3Å; L113-Q115 PolarHBondContact O-N 3.37Å; Q115-H117 VanDerWaalsContact C-N 3.26Å; Q115-H117 PolarHBondContact O-N 3.07Å; Q115-C118 PolarHBondContact O-N 3.21Å; Q115-C118 VanDerWaalsContact O-N 3.17Å; Q115-Y119 HydrophobicContact CG-CD2 4.01Å; Q115-Y119 HydrophobicContact CG-CE2 3.86Å; Q115-Y119 VanDerWaalsContact O-CD2 3.23Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.37Å; Q115-Y119 PolarHBondContact O-N 3.41Å; Q115-Y119 VanDerWaalsContact O-N 3.09Å
116C95.8Very high95Very high0 Ų054.9 Ų54.90%027%0.271CS..Hα-helixtrans-61.7-33.1176.6-72.20000113.4Y112 L113 H120 V121 F124 I201Y112-C116 WeakPolarHBondContact CE2-SG 3.27Å; Y112-C116 PolarHBondContact O-N 2.94Å; L113-C116 PolarHBondContact O-N 2.68Å; C116-H120 PolarHBondContact O-N 2.98Å; C116-H120 VanDerWaalsContact O-N 3.14Å; C116-V121 HydrophobicContact CB-CB 4.21Å; C116-V121 HydrophobicContact CB-CG2 4.08Å; C116-V121 PolarHBondContact O-N 2.92Å; C116-F124 HydrophobicContact CB-CE1 4.4Å; C116-F124 HydrophobicContact CB-CZ 4.37Å; C116-I201 HydrophobicContact CB-CD1 3.84Å; C116-I201 HydrophobicContact CB-CG1 4.02Å
117H94.4Very high94.6Very high80 Ų8054.8 Ų54.837%0.3727%0.274SS..Hα-helixtrans-70.3-41174.7-175.6-69.1000111.5L113 T114 Q115 Y119 H120 F124 L126L113-H117 VanDerWaalsContact O-CB 3.28Å; L113-H117 WeakPolarHBondContact O-CB 3.06Å; L113-H117 PolarHBondContact O-N 3.45Å; T114-H117 PolarHBondContact O-N 3.3Å; Q115-H117 VanDerWaalsContact C-N 3.26Å; Q115-H117 PolarHBondContact O-N 3.07Å; H117-Y119 VanDerWaalsContact C-N 3.29Å; H117-Y119 PolarHBondContact O-N 2.98Å; H117-H120 PolarHBondContact O-N 3.43Å; H117-F124 HydrophobicContact CB-CE1 4.38Å; H117-F124 HydrophobicContact CB-CZ 3.86Å; H117-L126 HydrophobicContact CB-CD1 3.87Å; H117-L126 HydrophobicContact CB-CD2 4.27Å; H117-L126 HydrophobicContact CB-CG 4.1Å
118C93Very high94Very high39 Ų3956.5 Ų56.526%0.26428%0.28SS..Hα-helixtrans-60.3-40175-72.30000112T114 Q115 H120T114-C118 PolarHBondContact O-N 3.42Å; T114-C118 PolarHBondContact O-SG 2.9Å; T114-C118 VanDerWaalsContact O-SG 3.35Å; Q115-C118 PolarHBondContact O-N 3.21Å; Q115-C118 VanDerWaalsContact O-N 3.17Å; C118-H120 VanDerWaalsContact C-N 3.32Å; C118-H120 PolarHBondContact O-CE1 3.49Å; C118-H120 PolarHBondContact O-N 3.48Å; C118-H120 PolarHBondContact O-ND1 3.43Å; C118-H120 VanDerWaalsContact O-ND1 3.14Å
119Y94.8Very high92.7Very high1 Ų158.8 Ų58.80%0.00430%0.297CS..THydrogen-bonded Turntrans-86.36.1177.9-71.8-67000114.8F62 S63 E66 L68 I71 L79 Q115 H117 V121F62-Y119 WeakPolarHBondContact CA-OH 3.43Å; F62-Y119 HydrophobicContact CB-CE2 4.22Å; F62-Y119 VanDerWaalsContact CB-OH 3.24Å; F62-Y119 WeakPolarHBondContact CB-OH 3.25Å; F62-Y119 HydrophobicContact CD1-CE2 4.49Å; S63-Y119 PolarHBondContact N-OH 2.68Å; S63-Y119 PolarHBondContact O-OH 3.12Å; E66-Y119 HydrophobicContact CB-CE1 3.75Å; E66-Y119 VanDerWaalsContact O-CD1 3.27Å; E66-Y119 WeakPolarHBondContact O-CD1 3.39Å; E66-Y119 VanDerWaalsContact O-CE1 3.32Å; E66-Y119 WeakPolarHBondContact O-CE1 3.4Å; E66-Y119 PolarHBondContact OE2-OH 3.38Å; L68-Y119 HydrophobicContact CD1-CG 4.43Å; I71-Y119 HydrophobicContact CD1-CD1 4.04Å; I71-Y119 HydrophobicContact CD1-CE1 3.72Å; I71-Y119 HydrophobicContact CD1-CE2 4.28Å; I71-Y119 HydrophobicContact CD1-CG 4.45Å; I71-Y119 HydrophobicContact CG1-CE1 4.31Å; L79-Y119 HydrophobicContact CD2-CD2 4.2Å; L79-Y119 HydrophobicContact CD2-CE2 4.01Å; Q115-Y119 HydrophobicContact CG-CD2 4.01Å; Q115-Y119 HydrophobicContact CG-CE2 3.86Å; Q115-Y119 VanDerWaalsContact O-CD2 3.23Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.37Å; Q115-Y119 PolarHBondContact O-N 3.41Å; Q115-Y119 VanDerWaalsContact O-N 3.09Å; H117-Y119 VanDerWaalsContact C-N 3.29Å; H117-Y119 PolarHBondContact O-N 2.98Å; Y119-V121 PolarHBondContact O-N 3.44Å; Y119-V121 VanDerWaalsContact O-N 3.1Å
120H93.5Very high90.9Very high145 Ų14564.8 Ų64.867%0.67132%0.323SS*.THydrogen-bonded Turntrans5136.8178.5-55.187.8000114.6C116 H117 C118 A122C116-H120 PolarHBondContact O-N 2.98Å; C116-H120 VanDerWaalsContact O-N 3.14Å; H117-H120 PolarHBondContact O-N 3.43Å; C118-H120 VanDerWaalsContact C-N 3.32Å; C118-H120 PolarHBondContact O-CE1 3.49Å; C118-H120 PolarHBondContact O-N 3.48Å; C118-H120 PolarHBondContact O-ND1 3.43Å; C118-H120 VanDerWaalsContact O-ND1 3.14Å; H120-A122 PolarHBondContact O-N 3.05Å
121V93.6Very high88.3Confident4 Ų470.9 Ų70.92%0.02436%0.356CS..  trans-59.4-34.8-178.2174.90000112.3L68 C116 Y119 L197 Q198 I201L68-V121 HydrophobicContact CD1-CG2 4.02Å; L68-V121 HydrophobicContact CD2-CG2 4.15Å; C116-V121 HydrophobicContact CB-CB 4.21Å; C116-V121 HydrophobicContact CB-CG2 4.08Å; C116-V121 PolarHBondContact O-N 2.92Å; Y119-V121 PolarHBondContact O-N 3.44Å; Y119-V121 VanDerWaalsContact O-N 3.1Å; V121-L197 HydrophobicContact CG1-CB 3.62Å; V121-L197 HydrophobicContact CG1-CD1 4.39Å; V121-L197 HydrophobicContact CG2-CD1 4.36Å; V121-Q198 HydrophobicContact CG1-CG 4.18Å; V121-Q198 PolarHBondContact O-NE2 3.43Å; V121-I201 HydrophobicContact CB-CD1 4.03Å; V121-I201 HydrophobicContact CG1-CD1 3.77Å
122A92.1Very high85.5Confident32 Ų3274.5 Ų74.526%0.26438%0.375SS..SBendtrans-156.1160.4175.300000110.1H120 F124 Q198 I201H120-A122 PolarHBondContact O-N 3.05Å; A122-F124 HydrophobicContact CB-CD1 4.33Å; A122-F124 VanDerWaalsContact O-CD1 3.3Å; A122-F124 WeakPolarHBondContact O-CD1 3.33Å; A122-F124 PolarHBondContact O-N 3.16Å; A122-Q198 HydrophobicContact CB-CG 4.34Å; A122-I201 HydrophobicContact CB-CD1 3.94Å
123E91.6Very high82.7Confident204 Ų20477.7 Ų77.795%0.95340%0.398SS*.  trans-81.4109.9171.2-66.6-179.3-174.400110
124F91.4Very high80Confident34 Ų3482.5 Ų82.515%0.14944%0.437CS..  trans-153.1161.9174.468.9-82.7000111.5L113 C116 H117 A122 L126 I201 L205L113-F124 HydrophobicContact CB-CE2 4.07Å; L113-F124 HydrophobicContact CB-CZ 4.33Å; L113-F124 HydrophobicContact CD2-CD2 4.49Å; L113-F124 HydrophobicContact CD2-CE2 3.79Å; L113-F124 HydrophobicContact CD2-CZ 4.06Å; L113-F124 HydrophobicContact CG-CE2 4.4Å; L113-F124 WeakPolarHBondContact O-CZ 3.48Å; C116-F124 HydrophobicContact CB-CE1 4.4Å; C116-F124 HydrophobicContact CB-CZ 4.37Å; H117-F124 HydrophobicContact CB-CE1 4.38Å; H117-F124 HydrophobicContact CB-CZ 3.86Å; A122-F124 HydrophobicContact CB-CD1 4.33Å; A122-F124 VanDerWaalsContact O-CD1 3.3Å; A122-F124 WeakPolarHBondContact O-CD1 3.33Å; A122-F124 PolarHBondContact O-N 3.16Å; F124-L126 HydrophobicContact CE2-CD2 4.04Å; F124-L126 HydrophobicContact CE2-CG 4.31Å; F124-I201 HydrophobicContact CB-CG2 4.43Å; F124-I201 HydrophobicContact CD1-CD1 4.24Å; F124-I201 HydrophobicContact CD1-CG2 3.75Å; F124-I201 HydrophobicContact CD2-CG2 4.2Å; F124-I201 HydrophobicContact CE1-CD1 3.85Å; F124-I201 HydrophobicContact CE1-CG1 4.29Å; F124-I201 HydrophobicContact CE1-CG2 4Å; F124-I201 HydrophobicContact CE2-CG2 4.43Å; F124-I201 HydrophobicContact CG-CG2 3.86Å; F124-I201 HydrophobicContact CZ-CG2 4.32Å; F124-L205 HydrophobicContact CB-CD1 4.31Å; F124-L205 HydrophobicContact CD2-CD1 4.28Å; F124-L205 HydrophobicContact CD2-CD2 4.38Å
125E91Very high77.3Confident179 Ų17988.7 Ų88.784%0.83646%0.463SS*.PPolyproline II helixtrans-91.2130.1175.8-65.7-176.6-178.100111P127E125-P127 WeakPolarHBondContact O-CD 3.36Å
126L91.1Very high74.6Confident62 Ų6292.4 Ų92.433%0.32548%0.484SS..PPolyproline II helixtrans-67.9129.4174.2-82.8165.4000111.1M110 L113 H117 F124M110-L126 HydrophobicContact CE-CD2 4.14Å; L113-L126 HydrophobicContact CB-CD2 3.8Å; H117-L126 HydrophobicContact CB-CD1 3.87Å; H117-L126 HydrophobicContact CB-CD2 4.27Å; H117-L126 HydrophobicContact CB-CG 4.1Å; F124-L126 HydrophobicContact CE2-CD2 4.04Å; F124-L126 HydrophobicContact CE2-CG 4.31Å
127P89.7Confident71.8Confident27 Ų27102 Ų10218%0.17553%0.529CS..PPolyproline II helixtrans-58.5145.1173.1-24.734.1000112.2M110 L113 E125 T129 L205 I208M110-P127 HydrophobicContact CE-CB 4.48Å; M110-P127 WeakPolarHBondContact CE-O 3.37Å; M110-P127 HydrophobicContact SD-CB 3.8Å; M110-P127 HydrophobicContact SD-CG 3.92Å; L113-P127 HydrophobicContact CD1-CG 3.91Å; E125-P127 WeakPolarHBondContact O-CD 3.36Å; P127-T129 PolarHBondContact O-N 3.32Å; P127-L205 HydrophobicContact CG-CD2 3.62Å; P127-I208 HydrophobicContact CB-CD1 4.47Å; P127-I208 HydrophobicContact CB-CG2 3.92Å; P127-I208 HydrophobicContact CG-CD1 3.97Å; P127-I208 HydrophobicContact CG-CG2 4.17Å
128K85.3Confident69Low157 Ų157103.4 Ų103.468%0.68354%0.543SS*.PPolyproline II helixtrans-64.1129-176.2-63.3178.2-178.3177.60111.6R106R106-K128 PolarHBondContact NH2-O 3.26Å
129T70.7Confident66.3Low88 Ų88105.3 Ų105.354%0.5456%0.561SS.*PPolyproline II helixtrans-76.7122.1167.2-44.90000108.5P127 N131 N132P127-T129 PolarHBondContact O-N 3.32Å; T129-N131 PolarHBondContact O-N 3.39Å; T129-N132 PolarHBondContact O-N 2.91Å
130K61.6Low63.8Low127 Ų127113.3 Ų113.355%0.55261%0.605SS**THydrogen-bonded Turntrans-53.2-12.7-175.2-95.8169.4176143.60115.4D212K130-D212 IonicContact NZ-OD1 2.77Å; K130-D212 PolarHBondContact NZ-OD1 2.97Å
131N43.2Very low61.3Low144 Ų144111.7 Ų111.777%0.7761%0.61SS**THydrogen-bonded Turntrans-91.9-5.4-175.1-70.7-1.9000116.1T129T129-N131 PolarHBondContact O-N 3.39Å
132N37.3Very low58.8Low156 Ų156115.8 Ų115.883%0.83464%0.638SS**SBendtrans-132.159.8177.5-79-19.2000112.7T129T129-N132 PolarHBondContact O-N 2.91Å
133S38.4Very low56.3Low67 Ų67123.6 Ų123.647%0.46967%0.672SS.*  trans-153.565.8157.553.70000111.5
134A40.9Very low54.4Low101 Ų101117.2 Ų117.284%0.83565%0.653SS**SBendtrans-67.3128.6134.100000105.4
135E40.3Very low52.6Low174 Ų174126.3 Ų126.381%0.81369%0.688SS**  trans81.878.2-168.4-54.1-177.3167.700114.7
136N35.9Very low51.1Low120 Ų120121.8 Ų121.864%0.64268%0.675SS**  -162.174.7122.7-88.6-51.2000107.8T138N136-T138 PolarHBondContact O-N 3.31Å; N136-T138 PolarHBondContact OD1-OG1 3Å
137H38.7Very low50.7Low201 Ų201122.3 Ų122.393%0.93168%0.683SS**  trans-69.263.1148.2-77.3-68.3000108.1A139H137-A139 VanDerWaalsContact C-N 3.28Å; H137-A139 PolarHBondContact O-N 3.44Å; H137-A139 VanDerWaalsContact O-N 3.08Å
138T35.5Very low50.2Low110 Ų110127.7 Ų127.768%0.67571%0.71SS**  trans-81.693.9166.5-50.20000105.4N136N136-T138 PolarHBondContact O-N 3.31Å; N136-T138 PolarHBondContact OD1-OG1 3Å
139A35.8Very low50.1Low78 Ų78125 Ų12565%0.64571%0.707SS**  trans3.5122.7164.300000115.3H137 S141H137-A139 VanDerWaalsContact C-N 3.28Å; H137-A139 PolarHBondContact O-N 3.44Å; H137-A139 VanDerWaalsContact O-N 3.08Å; A139-S141 VanDerWaalsContact C-N 3.3Å; A139-S141 PolarHBondContact O-N 3.41Å
140N42.8Very low50.7Low170 Ų170123.3 Ų123.391%0.90970%0.701SS**  trans-32.198.1146.1-72.5-13.5000109.5S142N140-S142 PolarHBondContact O-N 3.38Å
141S41.1Very low51.7Low111 Ų111121.3 Ų121.378%0.77670%0.695SS**  trans-73.5118.9170-170.60000106.1A139A139-S141 VanDerWaalsContact C-N 3.3Å; A139-S141 PolarHBondContact O-N 3.41Å
142S40.4Very low53.7Low89 Ų89117.2 Ų117.262%0.62268%0.681SS**  trans-29.6146.7174.453.50000114.5N140 A144N140-S142 PolarHBondContact O-N 3.38Å; S142-A144 PolarHBondContact O-N 3.08Å
143M40.6Very low56.1Low197 Ų197113.3 Ų113.397%0.9767%0.666SS**  trans-52.481154.6-78.1-176.9-107.200110.3
144A50.2Low58.1Low69 Ų69117 Ų11757%0.5768%0.676SS**PPolyproline II helixtrans-101.6117.6159.900000104.9S142 P146S142-A144 PolarHBondContact O-N 3.08Å; A144-P146 VanDerWaalsContact O-N 3.15Å
145Y54.4Low60.4Low226 Ų226121 Ų12189%0.88667%0.669SS**PPolyproline II helixtrans-46.2124.8173-69.7-87.3000108.9S147Y145-S147 PolarHBondContact O-N 3Å
146P59.9Low62.7Low84 Ų84116.9 Ų116.955%0.54565%0.65SS.*PPolyproline II helixtrans-54.8121.1177.6-25.133.6000108.6A144 L148 M151A144-P146 VanDerWaalsContact O-N 3.15Å; P146-L148 PolarHBondContact O-N 3Å; P146-M151 HydrophobicContact CB-CG 3.69Å; P146-M151 HydrophobicContact CB-SD 4.35Å
147S81.9Confident64.8Low73 Ų73113 Ų11351%0.5164%0.635SS.*PPolyproline II helixtrans-49.9140.3173.6171.50000109.1Y145 V149 A150 M151Y145-S147 PolarHBondContact O-N 3Å; S147-V149 PolarHBondContact O-N 2.93Å; S147-V149 PolarHBondContact OG-N 2.93Å; S147-A150 WeakPolarHBondContact O-CA 3.34Å; S147-A150 WeakPolarHBondContact O-CB 3.35Å; S147-A150 PolarHBondContact O-N 2.93Å; S147-M151 PolarHBondContact O-N 3.38Å
148L79.3Confident67Low140 Ų140111.3 Ų111.373%0.73363%0.625SS**Hα-helixtrans-51.3-32.2177.9-161.680.4000111.5P146 M151 A152P146-L148 PolarHBondContact O-N 3Å; L148-M151 HydrophobicContact CD1-CE 3.67Å; L148-A152 WeakPolarHBondContact O-CB 3.49Å; L148-A152 PolarHBondContact O-N 3.06Å
149V84.1Confident69.5Low101 Ų101108.8 Ų108.861%0.61261%0.606SS**Hα-helixtrans-66.2-46.1173.7-1790000111.7S147 M151 A152 S153S147-V149 PolarHBondContact O-N 2.93Å; S147-V149 PolarHBondContact OG-N 2.93Å; V149-M151 VanDerWaalsContact C-N 3.32Å; V149-M151 PolarHBondContact O-N 2.87Å; V149-A152 PolarHBondContact O-N 3.02Å; V149-S153 WeakPolarHBondContact O-CB 3.39Å; V149-S153 PolarHBondContact O-N 3.4Å; V149-S153 PolarHBondContact O-OG 3.04Å; V149-S153 VanDerWaalsContact O-OG 3.09Å
150A83.2Confident71.9Confident51 Ų51109.5 Ų109.542%0.42160%0.597SS.*Hα-helixtrans-63.1-39.5177.100000111.6S147 S153 Q154S147-A150 WeakPolarHBondContact O-CA 3.34Å; S147-A150 WeakPolarHBondContact O-CB 3.35Å; S147-A150 PolarHBondContact O-N 2.93Å; A150-S153 PolarHBondContact O-N 3Å; A150-Q154 WeakPolarHBondContact O-CB 3.4Å; A150-Q154 PolarHBondContact O-N 2.99Å
151M81.8Confident73.8Confident86 Ų86110 Ų11042%0.42459%0.585SS.*Hα-helixtrans-66.3-41.3174.2-62.4-163.5-54.900112.2P146 S147 L148 V149 Q154 R155P146-M151 HydrophobicContact CB-CG 3.69Å; P146-M151 HydrophobicContact CB-SD 4.35Å; S147-M151 PolarHBondContact O-N 3.38Å; L148-M151 HydrophobicContact CD1-CE 3.67Å; V149-M151 VanDerWaalsContact C-N 3.32Å; V149-M151 PolarHBondContact O-N 2.87Å; M151-Q154 PolarHBondContact O-N 3.39Å; M151-R155 WeakPolarHBondContact O-CB 3.48Å; M151-R155 PolarHBondContact O-N 2.97Å
152A86.3Confident76Confident58 Ų58111.5 Ų111.548%0.47958%0.575SS.*Hα-helixtrans-63.2-45176.100000111.4L148 V149 R155 Q156L148-A152 WeakPolarHBondContact O-CB 3.49Å; L148-A152 PolarHBondContact O-N 3.06Å; V149-A152 PolarHBondContact O-N 3.02Å; A152-R155 PolarHBondContact O-N 3.46Å; A152-Q156 VanDerWaalsContact O-CB 3.29Å; A152-Q156 WeakPolarHBondContact O-CB 3.3Å; A152-Q156 PolarHBondContact O-N 2.72Å
153S85.8Confident78.4Confident73 Ų73113.7 Ų113.751%0.5157%0.573SS.*Hα-helixtrans-62.4-43.6175.3-62.80000112.2V149 A150 R155 Q156 A157V149-S153 WeakPolarHBondContact O-CB 3.39Å; V149-S153 PolarHBondContact O-N 3.4Å; V149-S153 PolarHBondContact O-OG 3.04Å; V149-S153 VanDerWaalsContact O-OG 3.09Å; A150-S153 PolarHBondContact O-N 3Å; S153-R155 PolarHBondContact O-N 3.29Å; S153-Q156 PolarHBondContact O-N 3.44Å; S153-A157 WeakPolarHBondContact O-CB 3.34Å; S153-A157 PolarHBondContact O-N 2.95Å
154Q82.3Confident80.6Confident145 Ų145110.1 Ų110.168%0.67855%0.554SS**Hα-helixtrans-63.5-42.8177.1-172.5-178.318.100111.8A150 M151 K158A150-Q154 WeakPolarHBondContact O-CB 3.4Å; A150-Q154 PolarHBondContact O-N 2.99Å; M151-Q154 PolarHBondContact O-N 3.39Å; Q154-K158 PolarHBondContact O-N 3.04Å; Q154-K158 VanDerWaalsContact O-N 3.16Å
155R87.7Confident82.4Confident185 Ų185109.4 Ų109.470%0.69854%0.539SS*.Hα-helixtrans-61.8-45.6174.3-179.9-177.7175.7-173-1111M151 A152 S153 K158 I159M151-R155 WeakPolarHBondContact O-CB 3.48Å; M151-R155 PolarHBondContact O-N 2.97Å; A152-R155 PolarHBondContact O-N 3.46Å; S153-R155 PolarHBondContact O-N 3.29Å; R155-K158 PolarHBondContact O-N 3.06Å; R155-I159 HydrophobicContact CG-CD1 3.98Å; R155-I159 WeakPolarHBondContact O-CG1 3.11Å; R155-I159 PolarHBondContact O-N 3.41Å
156Q88.7Confident84.2Confident87 Ų87104.6 Ų104.641%0.40752%0.522SS..Hα-helixtrans-62.4-46-179-175.659.729.600111.5A152 S153 K158 I159 E160A152-Q156 VanDerWaalsContact O-CB 3.29Å; A152-Q156 WeakPolarHBondContact O-CB 3.3Å; A152-Q156 PolarHBondContact O-N 2.72Å; S153-Q156 PolarHBondContact O-N 3.44Å; Q156-K158 VanDerWaalsContact C-N 3.29Å; Q156-K158 PolarHBondContact O-N 3.08Å; Q156-I159 WeakPolarHBondContact O-CB 3.36Å; Q156-I159 PolarHBondContact O-N 3.12Å; Q156-I159 VanDerWaalsContact O-N 3.09Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.45Å; Q156-E160 PolarHBondContact NE2-OE1 3.06Å; Q156-E160 WeakPolarHBondContact O-CG 3.37Å; Q156-E160 PolarHBondContact O-N 2.84Å
157A81.5Confident85.7Confident40 Ų40104.5 Ų104.533%0.33152%0.515SS..Hα-helixtrans-58.8-39.4175.600000112.3S153 E160 R161S153-A157 WeakPolarHBondContact O-CB 3.34Å; S153-A157 PolarHBondContact O-N 2.95Å; A157-E160 PolarHBondContact O-N 3.31Å; A157-R161 WeakPolarHBondContact O-CG 3.31Å; A157-R161 PolarHBondContact O-N 2.77Å
158K83.8Confident86.2Confident164 Ų164102.2 Ų102.271%0.71350%0.497SS*.Hα-helixtrans-66.5-38.9175.6-170.6171.1-177171.90112.5Q154 R155 Q156 Y162Q154-K158 PolarHBondContact O-N 3.04Å; Q154-K158 VanDerWaalsContact O-N 3.16Å; R155-K158 PolarHBondContact O-N 3.06Å; Q156-K158 VanDerWaalsContact C-N 3.29Å; Q156-K158 PolarHBondContact O-N 3.08Å; K158-Y162 WeakPolarHBondContact O-CB 3.41Å; K158-Y162 PolarHBondContact O-N 2.85Å
159I87.9Confident86.8Confident57 Ų5799.4 Ų99.429%0.29248%0.479SS..Hα-helixtrans-64.7-43.1175.4-68.5166.6000110.4R155 Q156 Y162 K163R155-I159 HydrophobicContact CG-CD1 3.98Å; R155-I159 WeakPolarHBondContact O-CG1 3.11Å; R155-I159 PolarHBondContact O-N 3.41Å; Q156-I159 WeakPolarHBondContact O-CB 3.36Å; Q156-I159 PolarHBondContact O-N 3.12Å; Q156-I159 VanDerWaalsContact O-N 3.09Å; I159-Y162 PolarHBondContact O-N 3.33Å; I159-K163 HydrophobicContact CG2-CD 4.18Å; I159-K163 HydrophobicContact CG2-CG 4.49Å; I159-K163 WeakPolarHBondContact O-CG 3.4Å; I159-K163 PolarHBondContact O-N 3.17Å
160E86.6Confident87.3Confident94 Ų94100.3 Ų100.344%0.43948%0.477SS..Hα-helixtrans-64.1-47.9179-75.4167.1-171.100111.8Q156 A157 Y162 K163 Q164Q156-E160 WeakPolarHBondContact CG-OE1 3.45Å; Q156-E160 PolarHBondContact NE2-OE1 3.06Å; Q156-E160 WeakPolarHBondContact O-CG 3.37Å; Q156-E160 PolarHBondContact O-N 2.84Å; A157-E160 PolarHBondContact O-N 3.31Å; E160-Y162 VanDerWaalsContact C-N 3.32Å; E160-Y162 PolarHBondContact O-N 3.39Å; E160-K163 WeakPolarHBondContact O-CB 3.35Å; E160-K163 PolarHBondContact O-N 2.98Å; E160-K163 VanDerWaalsContact O-N 3.13Å; E160-Q164 WeakPolarHBondContact O-CG 3.46Å; E160-Q164 PolarHBondContact O-N 3.38Å
161R82.7Confident87.8Confident179 Ų179103.2 Ų103.268%0.67548%0.477SS*.Hα-helixtrans-57.2-44.9173.8-73.3-178.4-175.3-176.5-0.4112.2A157 K163 Q164 K165A157-R161 WeakPolarHBondContact O-CG 3.31Å; A157-R161 PolarHBondContact O-N 2.77Å; R161-K163 VanDerWaalsContact C-N 3.34Å; R161-K163 PolarHBondContact O-N 2.96Å; R161-Q164 PolarHBondContact O-N 2.87Å; R161-K165 WeakPolarHBondContact O-CB 3.48Å; R161-K165 PolarHBondContact O-N 3.2Å
162Y87.1Confident88.4Confident144 Ų14499.7 Ų99.757%0.56546%0.46SS*.Hα-helixtrans-62.2-41176.8178.8-98.1000112.3K158 I159 E160 K166K158-Y162 WeakPolarHBondContact O-CB 3.41Å; K158-Y162 PolarHBondContact O-N 2.85Å; I159-Y162 PolarHBondContact O-N 3.33Å; E160-Y162 VanDerWaalsContact C-N 3.32Å; E160-Y162 PolarHBondContact O-N 3.39Å; Y162-K166 HydrophobicContact CE1-CD 4.35Å; Y162-K166 WeakPolarHBondContact O-CB 3.15Å; Y162-K166 PolarHBondContact O-N 2.99Å
163K90.9Very high88.8Confident134 Ų134100.8 Ų100.858%0.58346%0.464SS*.Hα-helixtrans-64.3-43.1175.6-76177.1178.9-177.80111.9I159 E160 R161 K166 E167I159-K163 HydrophobicContact CG2-CD 4.18Å; I159-K163 HydrophobicContact CG2-CG 4.49Å; I159-K163 WeakPolarHBondContact O-CG 3.4Å; I159-K163 PolarHBondContact O-N 3.17Å; E160-K163 WeakPolarHBondContact O-CB 3.35Å; E160-K163 PolarHBondContact O-N 2.98Å; E160-K163 VanDerWaalsContact O-N 3.13Å; R161-K163 VanDerWaalsContact C-N 3.34Å; R161-K163 PolarHBondContact O-N 2.96Å; K163-K166 PolarHBondContact O-N 3.42Å; K163-E167 WeakPolarHBondContact O-CB 3.3Å; K163-E167 PolarHBondContact O-N 3.06Å
164Q87.1Confident89.2Confident122 Ų122100.7 Ų100.757%0.5747%0.467SS*.Hα-helixtrans-61.6-50176.7-73.7173.6-23.800111.2E160 R161 K166 E167 L168E160-Q164 WeakPolarHBondContact O-CG 3.46Å; E160-Q164 PolarHBondContact O-N 3.38Å; R161-Q164 PolarHBondContact O-N 2.87Å; Q164-K166 VanDerWaalsContact C-N 3.31Å; Q164-K166 PolarHBondContact O-N 3.42Å; Q164-E167 PolarHBondContact O-N 2.9Å; Q164-L168 WeakPolarHBondContact O-CG 3.39Å; Q164-L168 PolarHBondContact O-N 3.36Å
165K88.5Confident89.8Confident55 Ų5595.1 Ų95.124%0.23944%0.441CS..Hα-helixtrans-55-46175.5-174.3172.3-174.3166.70111.9R161 L168 E169 E206R161-K165 WeakPolarHBondContact O-CB 3.48Å; R161-K165 PolarHBondContact O-N 3.2Å; K165-L168 PolarHBondContact O-N 3.46Å; K165-E169 WeakPolarHBondContact O-CG 3.32Å; K165-E169 PolarHBondContact O-N 3.16Å; K165-E206 IonicContact NZ-OE1 3.54Å; K165-E206 IonicContact NZ-OE2 2.69Å; K165-E206 PolarHBondContact NZ-OE2 3.18Å
166K91.5Very high90.1Very high124 Ų12490.5 Ų90.554%0.53943%0.427SS..Hα-helixtrans-65.6-40179.4-170.6174.8-176.5175.90113Y162 K163 Q164 H170Y162-K166 HydrophobicContact CE1-CD 4.35Å; Y162-K166 WeakPolarHBondContact O-CB 3.15Å; Y162-K166 PolarHBondContact O-N 2.99Å; K163-K166 PolarHBondContact O-N 3.42Å; Q164-K166 VanDerWaalsContact C-N 3.31Å; Q164-K166 PolarHBondContact O-N 3.42Å; K166-H170 WeakPolarHBondContact O-CB 3.45Å; K166-H170 PolarHBondContact O-N 3.44Å
167E92.3Very high90.3Very high83 Ų8390.6 Ų90.639%0.38844%0.437SS..Hα-helixtrans-66.3-41.8176.2178.561.7-16400111.4K163 Q164 H170 R171K163-E167 WeakPolarHBondContact O-CB 3.3Å; K163-E167 PolarHBondContact O-N 3.06Å; Q164-E167 PolarHBondContact O-N 2.9Å; E167-H170 PolarHBondContact O-N 3.4Å; E167-R171 WeakPolarHBondContact O-CG 3.29Å; E167-R171 PolarHBondContact O-N 2.95Å; E167-R171 IonicContact OE1-CZ 3.31Å; E167-R171 VanDerWaalsContact OE1-CZ 3.31Å; E167-R171 IonicContact OE1-NE 2.76Å; E167-R171 PolarHBondContact OE1-NE 2.88Å; E167-R171 IonicContact OE1-NH2 2.98Å; E167-R171 PolarHBondContact OE1-NH2 3.43Å
168L91.1Very high90.9Very high25 Ų2590.5 Ų90.513%0.13144%0.436CS..Hα-helixtrans-59.1-48.7174.4-73.5175.5000111.4Q164 K165 H170 R171 L172 L195 Q198Q164-L168 WeakPolarHBondContact O-CG 3.39Å; Q164-L168 PolarHBondContact O-N 3.36Å; K165-L168 PolarHBondContact O-N 3.46Å; L168-H170 VanDerWaalsContact C-N 3.35Å; L168-H170 PolarHBondContact O-N 2.79Å; L168-R171 PolarHBondContact O-N 3.25Å; L168-L172 WeakPolarHBondContact O-CB 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 3.35Å; L168-L195 HydrophobicContact CD2-CD2 3.68Å; L168-Q198 HydrophobicContact CD1-CB 4.49Å
169E91.9Very high91.3Very high80 Ų8083.3 Ų83.337%0.37441%0.406SS..Hα-helixtrans-61.4-42.6177.8-73.4173.8171.400112.1K165 L172 S173K165-E169 WeakPolarHBondContact O-CG 3.32Å; K165-E169 PolarHBondContact O-N 3.16Å; E169-L172 PolarHBondContact O-N 2.74Å; E169-S173 WeakPolarHBondContact O-CB 3.22Å; E169-S173 PolarHBondContact O-N 2.93Å; E169-S173 PolarHBondContact O-OG 3.49Å
170H94.7Very high91.4Very high120 Ų12085.9 Ų85.956%0.55642%0.416SS*.Hα-helixtrans-59-50.2175.3177.4-96.6000111.7K166 E167 L168 L172 S173 A174K166-H170 WeakPolarHBondContact O-CB 3.45Å; K166-H170 PolarHBondContact O-N 3.44Å; E167-H170 PolarHBondContact O-N 3.4Å; L168-H170 VanDerWaalsContact C-N 3.35Å; L168-H170 PolarHBondContact O-N 2.79Å; H170-L172 PolarHBondContact O-N 2.97Å; H170-S173 PolarHBondContact O-N 3.26Å; H170-S173 PolarHBondContact O-OG 2.9Å; H170-A174 PolarHBondContact O-N 2.92Å
171R94.6Very high91.7Very high113 Ų11384.3 Ų84.343%0.42642%0.416SS..Hα-helixtrans-61.6-43.5178.2-70.6-177.2-169-178.94.6112.7E167 L168 S173 A174 M175 L195E167-R171 WeakPolarHBondContact O-CG 3.29Å; E167-R171 PolarHBondContact O-N 2.95Å; E167-R171 IonicContact OE1-CZ 3.31Å; E167-R171 VanDerWaalsContact OE1-CZ 3.31Å; E167-R171 IonicContact OE1-NE 2.76Å; E167-R171 PolarHBondContact OE1-NE 2.88Å; E167-R171 IonicContact OE1-NH2 2.98Å; E167-R171 PolarHBondContact OE1-NH2 3.43Å; L168-R171 PolarHBondContact O-N 3.25Å; R171-S173 VanDerWaalsContact C-N 3.35Å; R171-S173 PolarHBondContact O-N 3.29Å; R171-A174 PolarHBondContact O-N 2.93Å; R171-M175 PolarHBondContact O-N 2.89Å; R171-M175 VanDerWaalsContact O-N 3.11Å; R171-L195 HydrophobicContact CB-CD1 3.68Å
172L94.4Very high92.1Very high12 Ų1278.9 Ų78.96%0.06342%0.415CS..Hα-helixtrans-59.4-46176.6-77.5175.6000111.4L168 E169 H170 A174 M175 K176 Y192 L195 H196 R199L168-L172 WeakPolarHBondContact O-CB 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 3.35Å; E169-L172 PolarHBondContact O-N 2.74Å; H170-L172 PolarHBondContact O-N 2.97Å; L172-A174 VanDerWaalsContact C-N 3.31Å; L172-A174 PolarHBondContact O-N 2.86Å; L172-M175 PolarHBondContact O-N 3.17Å; L172-K176 WeakPolarHBondContact O-CB 3.47Å; L172-K176 PolarHBondContact O-N 3.11Å; L172-Y192 HydrophobicContact CD2-CD2 3.76Å; L172-Y192 HydrophobicContact CD2-CE2 3.85Å; L172-Y192 WeakPolarHBondContact CD2-O 3.41Å; L172-L195 HydrophobicContact CD2-CB 3.65Å; L172-L195 HydrophobicContact CG-CB 4.04Å; L172-H196 WeakPolarHBondContact CD2-CD2 3.42Å; L172-R199 HydrophobicContact CD1-CB 4.2Å
173S94.1Very high92.4Very high81 Ų8179.7 Ų79.757%0.56642%0.424SS*.Hα-helixtrans-61.7-37.3177.371.90000113.2E169 H170 R171E169-S173 WeakPolarHBondContact O-CB 3.22Å; E169-S173 PolarHBondContact O-N 2.93Å; E169-S173 PolarHBondContact O-OG 3.49Å; H170-S173 PolarHBondContact O-N 3.26Å; H170-S173 PolarHBondContact O-OG 2.9Å; R171-S173 VanDerWaalsContact C-N 3.35Å; R171-S173 PolarHBondContact O-N 3.29Å
174A94.6Very high92.6Very high70 Ų7074.4 Ų74.458%0.57941%0.406SS*.Hα-helixtrans-68-36.817900000112.5H170 R171 L172H170-A174 PolarHBondContact O-N 2.92Å; R171-A174 PolarHBondContact O-N 2.93Å; L172-A174 VanDerWaalsContact C-N 3.31Å; L172-A174 PolarHBondContact O-N 2.86Å
175M94Very high93Very high28 Ų2872.9 Ų72.914%0.13840%0.401CS..Hα-helixtrans-87.2-22.4-177.8-66.6-169.9-6500114.1R171 L172 S177 A178 V179 E191 Y192 L195R171-M175 PolarHBondContact O-N 2.89Å; R171-M175 VanDerWaalsContact O-N 3.11Å; L172-M175 PolarHBondContact O-N 3.17Å; M175-S177 PolarHBondContact O-N 3.41Å; M175-A178 PolarHBondContact O-N 3.44Å; M175-V179 PolarHBondContact O-N 3.4Å; M175-V179 VanDerWaalsContact O-N 3.13Å; M175-E191 HydrophobicContact CE-CG 4.31Å; M175-E191 HydrophobicContact SD-CG 4.4Å; M175-Y192 HydrophobicContact CB-CD2 3.84Å; M175-Y192 HydrophobicContact CE-CD2 4.3Å; M175-L195 HydrophobicContact CE-CD1 3.41Å; M175-L195 VanDerWaalsContact CE-CD1 3.41Å; M175-L195 HydrophobicContact CE-CG 4.35Å
176K93.3Very high93.4Very high89 Ų8975.2 Ų75.239%0.38742%0.417SS..Hα-helixtrans-48.3-54.1-172.3-177.8176.1-178.9178.80113.7L172 A178 V179 E180 Y192L172-K176 WeakPolarHBondContact O-CB 3.47Å; L172-K176 PolarHBondContact O-N 3.11Å; K176-A178 PolarHBondContact O-N 3.08Å; K176-V179 PolarHBondContact O-N 3.42Å; K176-E180 WeakPolarHBondContact CE-OE1 3.3Å; K176-E180 VanDerWaalsContact CE-OE2 3.27Å; K176-E180 WeakPolarHBondContact CE-OE2 3.34Å; K176-E180 HydrophobicContact CG-CG 4.32Å; K176-E180 WeakPolarHBondContact O-CB 3.22Å; K176-E180 WeakPolarHBondContact O-CG 3.41Å; K176-E180 PolarHBondContact O-N 2.88Å; K176-Y192 HydrophobicContact CB-CE2 4.23Å
177S94Very high93.5Very high89 Ų8975.4 Ų75.462%0.62242%0.419SS*.Hα-helixtrans-62.8-40.8-175.6-174.20000112.6M175 S181M175-S177 PolarHBondContact O-N 3.41Å; S177-S181 VanDerWaalsContact O-CB 3.25Å; S177-S181 WeakPolarHBondContact O-CB 3Å; S177-S181 PolarHBondContact O-N 2.94Å; S177-S181 VanDerWaalsContact O-N 3.08Å; S177-S181 PolarHBondContact O-OG 3.45Å
178A93.9Very high93.7Very high37 Ų3776.2 Ų76.231%0.30642%0.419SS..Hα-helixtrans-68.1-40-179.300000112M175 K176 S181 G182 Q183 A184M175-A178 PolarHBondContact O-N 3.44Å; K176-A178 PolarHBondContact O-N 3.08Å; A178-S181 PolarHBondContact O-OG 2.88Å; A178-G182 PolarHBondContact O-N 3.22Å; A178-Q183 PolarHBondContact O-N 3.02Å; A178-A184 HydrophobicContact CB-CB 4.32Å; A178-A184 PolarHBondContact O-N 2.79Å
179V93.3Very high93.9Very high14 Ų1476 Ų769%0.08542%0.419CS..Hα-helixtrans-72.1-48178.9174.20000111.3M175 K176 S181 G182 A184 V189 Y192M175-V179 PolarHBondContact O-N 3.4Å; M175-V179 VanDerWaalsContact O-N 3.13Å; K176-V179 PolarHBondContact O-N 3.42Å; V179-S181 VanDerWaalsContact C-N 3.29Å; V179-S181 PolarHBondContact O-N 2.91Å; V179-G182 PolarHBondContact O-N 3.39Å; V179-G182 VanDerWaalsContact O-N 3.09Å; V179-A184 HydrophobicContact CB-CB 4.43Å; V179-A184 HydrophobicContact CG2-CB 3.75Å; V179-V189 HydrophobicContact CG1-CG1 4.48Å; V179-V189 HydrophobicContact CG1-CG2 4.24Å; V179-V189 HydrophobicContact CG2-CG2 4.42Å; V179-Y192 HydrophobicContact CB-CD1 4.16Å; V179-Y192 HydrophobicContact CB-CE1 4.44Å; V179-Y192 HydrophobicContact CB-CG 4.26Å; V179-Y192 HydrophobicContact CG1-CD1 3.67Å; V179-Y192 HydrophobicContact CG1-CE1 4Å; V179-Y192 HydrophobicContact CG1-CG 4.2Å; V179-Y192 HydrophobicContact CG2-CD1 4.22Å; V179-Y192 HydrophobicContact CG2-CD2 4.35Å; V179-Y192 HydrophobicContact CG2-CG 3.88Å
180E89.4Confident94.1Very high110 Ų11074.8 Ų74.851%0.51441%0.411SS..Hα-helixtrans-66.9-29.1-178.7-69.9178.717100112.8K176 G182K176-E180 WeakPolarHBondContact CE-OE1 3.3Å; K176-E180 VanDerWaalsContact CE-OE2 3.27Å; K176-E180 WeakPolarHBondContact CE-OE2 3.34Å; K176-E180 HydrophobicContact CG-CG 4.32Å; K176-E180 WeakPolarHBondContact O-CB 3.22Å; K176-E180 WeakPolarHBondContact O-CG 3.41Å; K176-E180 PolarHBondContact O-N 2.88Å; E180-G182 VanDerWaalsContact C-N 3.31Å
181S92.4Very high94.1Very high62 Ų6272.3 Ų72.343%0.43440%0.4SS..THydrogen-bonded Turntrans-83.6-2.4174.762.70000114.4S177 A178 V179 Q183S177-S181 VanDerWaalsContact O-CB 3.25Å; S177-S181 WeakPolarHBondContact O-CB 3Å; S177-S181 PolarHBondContact O-N 2.94Å; S177-S181 VanDerWaalsContact O-N 3.08Å; S177-S181 PolarHBondContact O-OG 3.45Å; A178-S181 PolarHBondContact O-OG 2.88Å; V179-S181 VanDerWaalsContact C-N 3.29Å; V179-S181 PolarHBondContact O-N 2.91Å; S181-Q183 PolarHBondContact O-N 3.39Å; S181-Q183 WeakPolarHBondContact OG-CG 3.45Å
182G91.7Very high94.2Very high64 Ų6467.3 Ų67.366%0.6638%0.381SS*.THydrogen-bonded Turntrans68.519.7-177.700000114.3A178 V179 E180A178-G182 PolarHBondContact O-N 3.22Å; V179-G182 PolarHBondContact O-N 3.39Å; V179-G182 VanDerWaalsContact O-N 3.09Å; E180-G182 VanDerWaalsContact C-N 3.31Å
183Q93.5Very high94.3Very high161 Ų16168.3 Ų68.375%0.75238%0.384SS*.  trans-89.6-16.4177.8-65.7179.1-0.300112.8A178 S181A178-Q183 PolarHBondContact O-N 3.02Å; S181-Q183 PolarHBondContact O-N 3.39Å; S181-Q183 WeakPolarHBondContact OG-CG 3.45Å
184A94.6Very high94.4Very high23 Ų2367.1 Ų67.119%0.1937%0.369CS..SBendtrans-73.2142.1175.300000111.4A178 V179 R188 V189A178-A184 HydrophobicContact CB-CB 4.32Å; A178-A184 PolarHBondContact O-N 2.79Å; V179-A184 HydrophobicContact CB-CB 4.43Å; V179-A184 HydrophobicContact CG2-CB 3.75Å; A184-R188 HydrophobicContact CB-CB 4.03Å; A184-V189 HydrophobicContact CB-CG2 3.92Å
185D95.6Very high94.5Very high90 Ų9064.2 Ų64.248%0.48134%0.344SS..  trans-70.3167.4166.657.440.3000111.4E187 R188 V189D185-E187 VanDerWaalsContact C-N 3.27Å; D185-E187 PolarHBondContact O-N 3.16Å; D185-E187 PolarHBondContact OD1-N 3.31Å; D185-R188 PolarHBondContact O-N 3.47Å; D185-R188 VanDerWaalsContact OD1-CB 3.29Å; D185-R188 WeakPolarHBondContact OD1-CB 3.43Å; D185-R188 VanDerWaalsContact OD1-CG 3.24Å; D185-R188 WeakPolarHBondContact OD1-CG 3.27Å; D185-R188 PolarHBondContact OD1-N 2.85Å; D185-V189 WeakPolarHBondContact O-CG2 3.47Å; D185-V189 PolarHBondContact O-N 3.28Å
186D95.6Very high94.6Very high104 Ų10464.1 Ų64.156%0.55634%0.343SS*.Hα-helixtrans-60.2-36.2-176-169.375.6000112.8S73 R188 V189 R190S73-D186 WeakPolarHBondContact CB-OD1 3.42Å; S73-D186 PolarHBondContact OG-OD1 2.69Å; S73-D186 PolarHBondContact OG-OD2 3.27Å; D186-R188 PolarHBondContact O-N 3.13Å; D186-V189 PolarHBondContact O-N 2.88Å; D186-R190 VanDerWaalsContact O-CB 3.29Å; D186-R190 WeakPolarHBondContact O-CB 3.19Å; D186-R190 PolarHBondContact O-N 3.08Å
187E95.3Very high94.8Very high128 Ų12859.9 Ų59.960%0.59833%0.325SS*.Hα-helixtrans-61.9-45.9177.9-169.8-170.8148.100111D185 R190 E191D185-E187 VanDerWaalsContact C-N 3.27Å; D185-E187 PolarHBondContact O-N 3.16Å; D185-E187 PolarHBondContact OD1-N 3.31Å; E187-R190 PolarHBondContact O-N 2.67Å; E187-E191 WeakPolarHBondContact O-CB 3.26Å; E187-E191 PolarHBondContact O-N 3.08Å
188R94.9Very high94.9Very high100 Ų10058.1 Ų58.138%0.37731%0.306SS..Hα-helixtrans-69.7-35.9177.2-72.5-65.2111.982.212.8112.7A184 D185 D186 R190 E191 Y192A184-R188 HydrophobicContact CB-CB 4.03Å; D185-R188 PolarHBondContact O-N 3.47Å; D185-R188 VanDerWaalsContact OD1-CB 3.29Å; D185-R188 WeakPolarHBondContact OD1-CB 3.43Å; D185-R188 VanDerWaalsContact OD1-CG 3.24Å; D185-R188 WeakPolarHBondContact OD1-CG 3.27Å; D185-R188 PolarHBondContact OD1-N 2.85Å; D186-R188 PolarHBondContact O-N 3.13Å; R188-R190 VanDerWaalsContact C-N 3.34Å; R188-E191 IonicContact CZ-OE2 3.49Å; R188-E191 IonicContact NE-OE2 2.77Å; R188-E191 PolarHBondContact NE-OE2 2.95Å; R188-E191 IonicContact NH2-OE2 3.64Å; R188-Y192 VanDerWaalsContact O-CB 3.28Å; R188-Y192 WeakPolarHBondContact O-CB 3.46Å; R188-Y192 PolarHBondContact O-N 2.99Å
189V95.7Very high95Very high22 Ų2259 Ų5913%0.13330%0.302CS..Hα-helixtrans-61.9-45.4173173.40000110.3V179 A184 D185 D186 Y192 Y193V179-V189 HydrophobicContact CG1-CG1 4.48Å; V179-V189 HydrophobicContact CG1-CG2 4.24Å; V179-V189 HydrophobicContact CG2-CG2 4.42Å; A184-V189 HydrophobicContact CB-CG2 3.92Å; D185-V189 WeakPolarHBondContact O-CG2 3.47Å; D185-V189 PolarHBondContact O-N 3.28Å; D186-V189 PolarHBondContact O-N 2.88Å; V189-Y192 WeakPolarHBondContact O-CB 3.3Å; V189-Y192 PolarHBondContact O-N 3.3Å; V189-Y193 HydrophobicContact CG1-CD2 3.87Å; V189-Y193 HydrophobicContact CG1-CE2 3.7Å; V189-Y193 VanDerWaalsContact O-CD2 3.3Å; V189-Y193 WeakPolarHBondContact O-CD2 3.18Å; V189-Y193 PolarHBondContact O-N 3.4Å; V189-Y193 VanDerWaalsContact O-N 3.11Å
190R96.2Very high95.2Very high54 Ų5458.8 Ų58.820%0.20430%0.3CS..Hα-helixtrans-63.3-48.1178.3-170.2174.6177.774.714.5111.9L68 I71 L76 D186 E187 R188 Y192 Y193 H194L68-R190 PolarHBondContact O-NH2 3.41Å; I71-R190 PolarHBondContact O-NH1 3.41Å; L76-R190 HydrophobicContact CD1-CG 3.79Å; D186-R190 VanDerWaalsContact O-CB 3.29Å; D186-R190 WeakPolarHBondContact O-CB 3.19Å; D186-R190 PolarHBondContact O-N 3.08Å; E187-R190 PolarHBondContact O-N 2.67Å; R188-R190 VanDerWaalsContact C-N 3.34Å; R190-Y192 VanDerWaalsContact C-N 3.31Å; R190-Y192 PolarHBondContact O-N 3.06Å; R190-Y193 PolarHBondContact O-N 3.35Å; R190-H194 WeakPolarHBondContact O-CB 3.26Å; R190-H194 PolarHBondContact O-N 3.02Å
191E95.9Very high95.5Very high68 Ų6853.7 Ų53.732%0.31828%0.276SS..Hα-helixtrans-57.3-45175.4-175.8-179.3-178.900111.2M175 E187 R188 Y193 H194 L195M175-E191 HydrophobicContact CE-CG 4.31Å; M175-E191 HydrophobicContact SD-CG 4.4Å; E187-E191 WeakPolarHBondContact O-CB 3.26Å; E187-E191 PolarHBondContact O-N 3.08Å; R188-E191 IonicContact CZ-OE2 3.49Å; R188-E191 IonicContact NE-OE2 2.77Å; R188-E191 PolarHBondContact NE-OE2 2.95Å; R188-E191 IonicContact NH2-OE2 3.64Å; E191-Y193 PolarHBondContact O-N 3.23Å; E191-H194 WeakPolarHBondContact O-CB 3.45Å; E191-H194 PolarHBondContact O-N 3.19Å; E191-L195 WeakPolarHBondContact O-CG 3.48Å; E191-L195 PolarHBondContact O-N 3.36Å
192Y96.4Very high95.6Very high7 Ų753.5 Ų53.53%0.02727%0.27CS..Hα-helixtrans-58.4-47.8178.6174.8-101.7000112.8L172 M175 K176 V179 R188 V189 R190 L195 H196L172-Y192 HydrophobicContact CD2-CD2 3.76Å; L172-Y192 HydrophobicContact CD2-CE2 3.85Å; L172-Y192 WeakPolarHBondContact CD2-O 3.41Å; M175-Y192 HydrophobicContact CB-CD2 3.84Å; M175-Y192 HydrophobicContact CE-CD2 4.3Å; K176-Y192 HydrophobicContact CB-CE2 4.23Å; V179-Y192 HydrophobicContact CB-CD1 4.16Å; V179-Y192 HydrophobicContact CB-CE1 4.44Å; V179-Y192 HydrophobicContact CB-CG 4.26Å; V179-Y192 HydrophobicContact CG1-CD1 3.67Å; V179-Y192 HydrophobicContact CG1-CE1 4Å; V179-Y192 HydrophobicContact CG1-CG 4.2Å; V179-Y192 HydrophobicContact CG2-CD1 4.22Å; V179-Y192 HydrophobicContact CG2-CD2 4.35Å; V179-Y192 HydrophobicContact CG2-CG 3.88Å; R188-Y192 VanDerWaalsContact O-CB 3.28Å; R188-Y192 WeakPolarHBondContact O-CB 3.46Å; R188-Y192 PolarHBondContact O-N 2.99Å; V189-Y192 WeakPolarHBondContact O-CB 3.3Å; V189-Y192 PolarHBondContact O-N 3.3Å; R190-Y192 VanDerWaalsContact C-N 3.31Å; R190-Y192 PolarHBondContact O-N 3.06Å; Y192-L195 PolarHBondContact O-N 3.37Å; Y192-H196 AromaticContact CD1-CD2 3.9Å; Y192-H196 AromaticContact CE1-CD2 3.49Å; Y192-H196 VanDerWaalsContact CE1-CD2 3.49Å; Y192-H196 WeakPolarHBondContact CE1-CD2 3.45Å; Y192-H196 AromaticContact CE1-NE2 3.6Å; Y192-H196 AromaticContact CE2-CD2 3.76Å; Y192-H196 AromaticContact CE2-NE2 3.48Å; Y192-H196 WeakPolarHBondContact CE2-NE2 3.49Å; Y192-H196 AromaticContact CZ-CD2 3.43Å; Y192-H196 VanDerWaalsContact CZ-CD2 3.43Å; Y192-H196 AromaticContact CZ-NE2 3.07Å; Y192-H196 PolarHBondContact O-CD2 2.85Å; Y192-H196 PolarHBondContact O-N 3.25Å; Y192-H196 PolarHBondContact OH-NE2 3.3Å
193Y96.5Very high95.8Very high33 Ų3351.7 Ų51.713%0.12925%0.245CC..Hα-helixtrans-71.4-34.1178.1-71.2-57.4000112.6S73 L76 K77 V189 R190 E191 L195 H196 L197S73-Y193 WeakPolarHBondContact O-CD2 3.49Å; L76-Y193 HydrophobicContact CB-CG 4.38Å; K77-Y193 HydrophobicContact CB-CD1 3.69Å; K77-Y193 HydrophobicContact CB-CE1 3.43Å; K77-Y193 VanDerWaalsContact CB-CE1 3.43Å; K77-Y193 HydrophobicContact CB-CE2 4.39Å; K77-Y193 HydrophobicContact CB-CG 4.3Å; K77-Y193 HydrophobicContact CD-CE1 4.27Å; V189-Y193 HydrophobicContact CG1-CD2 3.87Å; V189-Y193 HydrophobicContact CG1-CE2 3.7Å; V189-Y193 VanDerWaalsContact O-CD2 3.3Å; V189-Y193 WeakPolarHBondContact O-CD2 3.18Å; V189-Y193 PolarHBondContact O-N 3.4Å; V189-Y193 VanDerWaalsContact O-N 3.11Å; R190-Y193 PolarHBondContact O-N 3.35Å; E191-Y193 PolarHBondContact O-N 3.23Å; Y193-L195 PolarHBondContact O-N 3.43Å; Y193-H196 WeakPolarHBondContact O-CB 3.44Å; Y193-H196 PolarHBondContact O-N 3.01Å; Y193-L197 VanDerWaalsContact O-CG 3.31Å; Y193-L197 WeakPolarHBondContact O-CG 3.4Å; Y193-L197 PolarHBondContact O-N 3.09Å
194H96.1Very high96Very high56 Ų5644 Ų4426%0.25921%0.209SC..Hα-helixtrans-58.2-47.7171.9-172.7-83.2000111.8R190 E191 H196 L197 Q198R190-H194 WeakPolarHBondContact O-CB 3.26Å; R190-H194 PolarHBondContact O-N 3.02Å; E191-H194 WeakPolarHBondContact O-CB 3.45Å; E191-H194 PolarHBondContact O-N 3.19Å; H194-H196 VanDerWaalsContact C-N 3.31Å; H194-H196 PolarHBondContact O-N 3.07Å; H194-L197 PolarHBondContact O-N 3.32Å; H194-Q198 PolarHBondContact CE1-NE2 3.34Å; H194-Q198 VanDerWaalsContact CE1-NE2 3.3Å; H194-Q198 WeakPolarHBondContact O-CG 3.3Å; H194-Q198 PolarHBondContact O-N 3.27Å
195L96.1Very high96.1Very high10 Ų1044.8 Ų44.85%0.05221%0.21CC..Hα-helixtrans-63.7-35.7176.2-66.3-171.5000112.5L168 R171 L172 M175 E191 Y192 Y193 Q198 R199L168-L195 HydrophobicContact CD2-CD2 3.68Å; R171-L195 HydrophobicContact CB-CD1 3.68Å; L172-L195 HydrophobicContact CD2-CB 3.65Å; L172-L195 HydrophobicContact CG-CB 4.04Å; M175-L195 HydrophobicContact CE-CD1 3.41Å; M175-L195 VanDerWaalsContact CE-CD1 3.41Å; M175-L195 HydrophobicContact CE-CG 4.35Å; E191-L195 WeakPolarHBondContact O-CG 3.48Å; E191-L195 PolarHBondContact O-N 3.36Å; Y192-L195 PolarHBondContact O-N 3.37Å; Y193-L195 PolarHBondContact O-N 3.43Å; L195-Q198 PolarHBondContact O-N 3.01Å; L195-R199 WeakPolarHBondContact O-CB 3.49Å; L195-R199 PolarHBondContact O-N 2.95Å
196H96.3Very high96Very high26 Ų2645.5 Ų45.512%0.1221%0.21CC..Hα-helixtrans-62.8-43.8173.3-95.6-68.3000111.6L80 L172 Y192 Y193 H194 R199 W200L80-H196 HydrophobicContact CD1-CB 4.2Å; L172-H196 WeakPolarHBondContact CD2-CD2 3.42Å; Y192-H196 AromaticContact CD1-CD2 3.9Å; Y192-H196 AromaticContact CE1-CD2 3.49Å; Y192-H196 VanDerWaalsContact CE1-CD2 3.49Å; Y192-H196 WeakPolarHBondContact CE1-CD2 3.45Å; Y192-H196 AromaticContact CE1-NE2 3.6Å; Y192-H196 AromaticContact CE2-CD2 3.76Å; Y192-H196 AromaticContact CE2-NE2 3.48Å; Y192-H196 WeakPolarHBondContact CE2-NE2 3.49Å; Y192-H196 AromaticContact CZ-CD2 3.43Å; Y192-H196 VanDerWaalsContact CZ-CD2 3.43Å; Y192-H196 AromaticContact CZ-NE2 3.07Å; Y192-H196 PolarHBondContact O-CD2 2.85Å; Y192-H196 PolarHBondContact O-N 3.25Å; Y192-H196 PolarHBondContact OH-NE2 3.3Å; Y193-H196 WeakPolarHBondContact O-CB 3.44Å; Y193-H196 PolarHBondContact O-N 3.01Å; H194-H196 VanDerWaalsContact C-N 3.31Å; H194-H196 PolarHBondContact O-N 3.07Å; H196-R199 PolarHBondContact O-N 2.78Å; H196-W200 WeakPolarHBondContact O-CB 3.4Å; H196-W200 VanDerWaalsContact O-CD1 3.26Å; H196-W200 PolarHBondContact O-N 3.34Å
197L97.3Very high96Very high0 Ų043.4 Ų43.40%020%0.197CC..Hα-helixtrans-61.6-45.7176.2-62.7166.2000110.5L79 L80 Y112 V121 Y193 H194 R199 W200 I201L79-L197 HydrophobicContact CB-CD2 3.62Å; L79-L197 HydrophobicContact CD1-CD1 3.97Å; L79-L197 HydrophobicContact CD1-CD2 4.39Å; L80-L197 HydrophobicContact CD2-CD2 3.68Å; L80-L197 HydrophobicContact CD2-CG 4.47Å; L80-L197 HydrophobicContact CG-CD2 3.86Å; Y112-L197 HydrophobicContact CE2-CD2 4.13Å; Y112-L197 WeakPolarHBondContact OH-CA 3.5Å; Y112-L197 PolarHBondContact OH-O 3.32Å; V121-L197 HydrophobicContact CG1-CB 3.62Å; V121-L197 HydrophobicContact CG1-CD1 4.39Å; V121-L197 HydrophobicContact CG2-CD1 4.36Å; Y193-L197 VanDerWaalsContact O-CG 3.31Å; Y193-L197 WeakPolarHBondContact O-CG 3.4Å; Y193-L197 PolarHBondContact O-N 3.09Å; H194-L197 PolarHBondContact O-N 3.32Å; L197-R199 VanDerWaalsContact C-N 3.35Å; L197-R199 PolarHBondContact O-N 2.92Å; L197-W200 PolarHBondContact O-N 3.45Å; L197-W200 VanDerWaalsContact O-N 3.13Å; L197-I201 WeakPolarHBondContact O-CG1 3.42Å; L197-I201 PolarHBondContact O-N 3Å
198Q96.1Very high96.1Very high51 Ų5137.5 Ų37.524%0.23817%0.17CC..Hα-helixtrans-58.6-45.2175.9-67.9-174-40.800112.6V121 A122 L168 H194 L195 W200 I201 D202V121-Q198 HydrophobicContact CG1-CG 4.18Å; V121-Q198 PolarHBondContact O-NE2 3.43Å; A122-Q198 HydrophobicContact CB-CG 4.34Å; L168-Q198 HydrophobicContact CD1-CB 4.49Å; H194-Q198 PolarHBondContact CE1-NE2 3.34Å; H194-Q198 VanDerWaalsContact CE1-NE2 3.3Å; H194-Q198 WeakPolarHBondContact O-CG 3.3Å; H194-Q198 PolarHBondContact O-N 3.27Å; L195-Q198 PolarHBondContact O-N 3.01Å; Q198-W200 VanDerWaalsContact C-N 3.3Å; Q198-W200 PolarHBondContact O-N 2.99Å; Q198-I201 WeakPolarHBondContact O-CB 3.29Å; Q198-I201 PolarHBondContact O-N 3.08Å; Q198-D202 PolarHBondContact O-N 2.87Å
199R95.8Very high96.1Very high56 Ų5638.6 Ų38.621%0.21118%0.179CC..Hα-helixtrans-58.7-42.2175.4177179.8176.5-87.61.7112L172 L195 H196 L197 I201 D202 I203L172-R199 HydrophobicContact CD1-CB 4.2Å; L195-R199 WeakPolarHBondContact O-CB 3.49Å; L195-R199 PolarHBondContact O-N 2.95Å; H196-R199 PolarHBondContact O-N 2.78Å; L197-R199 VanDerWaalsContact C-N 3.35Å; L197-R199 PolarHBondContact O-N 2.92Å; R199-I201 VanDerWaalsContact C-N 3.35Å; R199-D202 PolarHBondContact O-N 3.02Å; R199-I203 HydrophobicContact CG-CD1 3.95Å; R199-I203 WeakPolarHBondContact O-CG1 3.16Å; R199-I203 PolarHBondContact O-N 3.46Å; R199-I203 VanDerWaalsContact O-N 3.12Å
200W97.6Very high96.1Very high9 Ų940.2 Ų40.23%0.03419%0.191CC..Hα-helixtrans-74.4-24.6-179-85.4100.7000113.2L23 L80 A83 F84 A87 Y112 H196 L197 Q198 I203 S204L23-W200 HydrophobicContact CD2-CH2 4Å; L23-W200 HydrophobicContact CD2-CZ2 4.11Å; L80-W200 HydrophobicContact CD2-CB 3.85Å; L80-W200 VanDerWaalsContact CD2-CD1 3.42Å; L80-W200 HydrophobicContact CD2-CG 3.72Å; A83-W200 HydrophobicContact CB-CB 4.35Å; A83-W200 HydrophobicContact CB-CD2 4.02Å; A83-W200 HydrophobicContact CB-CE3 3.61Å; A83-W200 HydrophobicContact CB-CG 4.36Å; A83-W200 HydrophobicContact CB-CZ3 4.22Å; F84-W200 AromaticContact CD1-CE2 3.84Å; F84-W200 AromaticContact CD1-CH2 3.91Å; F84-W200 HydrophobicContact CD1-CH2 3.91Å; F84-W200 AromaticContact CD1-CZ2 3.5Å; F84-W200 HydrophobicContact CD1-CZ2 3.5Å; F84-W200 HydrophobicContact CE1-CD2 4.35Å; F84-W200 AromaticContact CE1-CE2 3.44Å; F84-W200 VanDerWaalsContact CE1-CE2 3.44Å; F84-W200 HydrophobicContact CE1-CH2 4.25Å; F84-W200 AromaticContact CE1-CZ2 3.39Å; F84-W200 HydrophobicContact CE1-CZ2 3.39Å; F84-W200 AromaticContact CE1-NE1 3.5Å; A87-W200 HydrophobicContact CB-CH2 3.74Å; A87-W200 HydrophobicContact CB-CZ3 3.89Å; Y112-W200 VanDerWaalsContact CE1-C 3.43Å; Y112-W200 HydrophobicContact CE1-CB 3.88Å; Y112-W200 WeakPolarHBondContact CE1-O 3.23Å; Y112-W200 HydrophobicContact CE2-CB 4.5Å; Y112-W200 WeakPolarHBondContact OH-CB 3.42Å; H196-W200 WeakPolarHBondContact O-CB 3.4Å; H196-W200 VanDerWaalsContact O-CD1 3.26Å; H196-W200 PolarHBondContact O-N 3.34Å; L197-W200 PolarHBondContact O-N 3.45Å; L197-W200 VanDerWaalsContact O-N 3.13Å; Q198-W200 VanDerWaalsContact C-N 3.3Å; Q198-W200 PolarHBondContact O-N 2.99Å; W200-I203 HydrophobicContact CD2-CD1 4.2Å; W200-I203 HydrophobicContact CE3-CB 4.16Å; W200-I203 HydrophobicContact CE3-CD1 4.22Å; W200-I203 HydrophobicContact CE3-CG2 3.97Å; W200-I203 HydrophobicContact CZ3-CG2 3.88Å; W200-S204 VanDerWaalsContact O-CB 3.23Å; W200-S204 WeakPolarHBondContact O-CB 3.42Å; W200-S204 PolarHBondContact O-N 3.21Å; W200-S204 PolarHBondContact O-OG 3.37Å
201I96.8Very high96.2Very high3 Ų337.7 Ų37.72%0.01518%0.182CC..Hα-helixtrans-61.1-50.9168-69.7165.7000109.5Y112 L113 C116 V121 A122 F124 L197 Q198 R199 I203 S204 L205Y112-I201 HydrophobicContact CE1-CG1 3.96Å; Y112-I201 PolarHBondContact OH-N 3.39Å; L113-I201 HydrophobicContact CD2-CB 4.24Å; L113-I201 HydrophobicContact CD2-CG1 4.24Å; L113-I201 HydrophobicContact CD2-CG2 3.94Å; C116-I201 HydrophobicContact CB-CD1 3.84Å; C116-I201 HydrophobicContact CB-CG1 4.02Å; V121-I201 HydrophobicContact CB-CD1 4.03Å; V121-I201 HydrophobicContact CG1-CD1 3.77Å; A122-I201 HydrophobicContact CB-CD1 3.94Å; F124-I201 HydrophobicContact CB-CG2 4.43Å; F124-I201 HydrophobicContact CD1-CD1 4.24Å; F124-I201 HydrophobicContact CD1-CG2 3.75Å; F124-I201 HydrophobicContact CD2-CG2 4.2Å; F124-I201 HydrophobicContact CE1-CD1 3.85Å; F124-I201 HydrophobicContact CE1-CG1 4.29Å; F124-I201 HydrophobicContact CE1-CG2 4Å; F124-I201 HydrophobicContact CE2-CG2 4.43Å; F124-I201 HydrophobicContact CG-CG2 3.86Å; F124-I201 HydrophobicContact CZ-CG2 4.32Å; L197-I201 WeakPolarHBondContact O-CG1 3.42Å; L197-I201 PolarHBondContact O-N 3Å; Q198-I201 WeakPolarHBondContact O-CB 3.29Å; Q198-I201 PolarHBondContact O-N 3.08Å; R199-I201 VanDerWaalsContact C-N 3.35Å; I201-I203 PolarHBondContact O-N 3.47Å; I201-S204 PolarHBondContact O-N 2.96Å; I201-L205 HydrophobicContact CG2-CD1 3.99Å; I201-L205 WeakPolarHBondContact O-CG 3.39Å; I201-L205 PolarHBondContact O-N 3.04Å
202D94.3Very high96.2Very high59 Ų5936.4 Ų36.432%0.31618%0.177SC..Hα-helixtrans-58.3-47.1178.8-70.2-27.5000111.7Q198 R199 S204 L205 E206Q198-D202 PolarHBondContact O-N 2.87Å; R199-D202 PolarHBondContact O-N 3.02Å; D202-S204 PolarHBondContact O-N 3.2Å; D202-L205 PolarHBondContact O-N 3.44Å; D202-E206 WeakPolarHBondContact O-CG 3.41Å; D202-E206 PolarHBondContact O-N 2.95Å; D202-E206 VanDerWaalsContact O-N 3.07Å
203I95.7Very high96.1Very high25 Ų2542.1 Ų42.113%0.12820%0.204CC..Hα-helixtrans-61-45.9177.8-67.3166.3000110.9R199 W200 I201 L205 E206 E207R199-I203 HydrophobicContact CG-CD1 3.95Å; R199-I203 WeakPolarHBondContact O-CG1 3.16Å; R199-I203 PolarHBondContact O-N 3.46Å; R199-I203 VanDerWaalsContact O-N 3.12Å; W200-I203 HydrophobicContact CD2-CD1 4.2Å; W200-I203 HydrophobicContact CE3-CB 4.16Å; W200-I203 HydrophobicContact CE3-CD1 4.22Å; W200-I203 HydrophobicContact CE3-CG2 3.97Å; W200-I203 HydrophobicContact CZ3-CG2 3.88Å; I201-I203 PolarHBondContact O-N 3.47Å; I203-L205 VanDerWaalsContact C-N 3.33Å; I203-L205 PolarHBondContact O-N 3.34Å; I203-E206 PolarHBondContact O-N 2.97Å; I203-E207 HydrophobicContact CG2-CG 4.15Å; I203-E207 WeakPolarHBondContact O-CB 3.45Å; I203-E207 WeakPolarHBondContact O-CG 3.48Å; I203-E207 PolarHBondContact O-N 3.18Å
204S97.8Very high96.1Very high0 Ų043.2 Ų43.20%021%0.21CC..Hα-helixtrans-65.8-36.7-176.9-59.80000112.1F109 Y112 W200 I201 D202 I208F109-S204 VanDerWaalsContact CD1-OG 3.29Å; F109-S204 WeakPolarHBondContact CD1-OG 3.26Å; Y112-S204 VanDerWaalsContact CD1-OG 3.23Å; Y112-S204 WeakPolarHBondContact CD1-OG 3.48Å; W200-S204 VanDerWaalsContact O-CB 3.23Å; W200-S204 WeakPolarHBondContact O-CB 3.42Å; W200-S204 PolarHBondContact O-N 3.21Å; W200-S204 PolarHBondContact O-OG 3.37Å; I201-S204 PolarHBondContact O-N 2.96Å; D202-S204 PolarHBondContact O-N 3.2Å; S204-I208 WeakPolarHBondContact O-CB 3.4Å; S204-I208 VanDerWaalsContact O-CG1 3.26Å; S204-I208 WeakPolarHBondContact O-CG1 3.48Å; S204-I208 PolarHBondContact O-N 3.49Å
205L95.4Very high96Very high40 Ų4040.7 Ų40.721%0.20920%0.199CC..Hα-helixtrans-65-48.3173.9-70.3171.2000111.3L113 F124 P127 I201 D202 I203 E207 I208 E209L113-L205 HydrophobicContact CD1-CD2 3.73Å; L113-L205 HydrophobicContact CD1-CG 4.22Å; L113-L205 HydrophobicContact CD2-CD2 4.48Å; L113-L205 HydrophobicContact CD2-CG 4.29Å; F124-L205 HydrophobicContact CB-CD1 4.31Å; F124-L205 HydrophobicContact CD2-CD1 4.28Å; F124-L205 HydrophobicContact CD2-CD2 4.38Å; P127-L205 HydrophobicContact CG-CD2 3.62Å; I201-L205 HydrophobicContact CG2-CD1 3.99Å; I201-L205 WeakPolarHBondContact O-CG 3.39Å; I201-L205 PolarHBondContact O-N 3.04Å; D202-L205 PolarHBondContact O-N 3.44Å; I203-L205 VanDerWaalsContact C-N 3.33Å; I203-L205 PolarHBondContact O-N 3.34Å; L205-E207 VanDerWaalsContact C-N 3.33Å; L205-E207 PolarHBondContact O-N 3.47Å; L205-I208 PolarHBondContact O-N 3.41Å; L205-E209 PolarHBondContact O-N 2.98Å; L205-E209 VanDerWaalsContact O-N 3.16Å
206E93.9Very high95.9Very high104 Ų10446.6 Ų46.649%0.48622%0.224SC..Hα-helixtrans-58.8-44176.3-72.4178.4173.900111.5K165 D202 I203 E209 S210K165-E206 IonicContact NZ-OE1 3.54Å; K165-E206 IonicContact NZ-OE2 2.69Å; K165-E206 PolarHBondContact NZ-OE2 3.18Å; D202-E206 WeakPolarHBondContact O-CG 3.41Å; D202-E206 PolarHBondContact O-N 2.95Å; D202-E206 VanDerWaalsContact O-N 3.07Å; I203-E206 PolarHBondContact O-N 2.97Å; E206-E209 PolarHBondContact O-N 2.91Å; E206-S210 PolarHBondContact O-N 2.75Å; E206-S210 VanDerWaalsContact O-N 3.11Å
207E97.1Very high95.9Very high61 Ų6150.7 Ų50.729%0.28525%0.246SC..Hα-helixtrans-67.3-41.1179.2-75.1-65.5145.300112.2M90 F109 I203 L205 E209 S210 I211M90-E207 WeakPolarHBondContact CE-OE2 3.47Å; F109-E207 HydrophobicContact CD2-CB 4.03Å; F109-E207 HydrophobicContact CE2-CB 3.58Å; F109-E207 HydrophobicContact CE2-CG 4.06Å; F109-E207 HydrophobicContact CZ-CB 3.9Å; F109-E207 HydrophobicContact CZ-CG 3.93Å; I203-E207 HydrophobicContact CG2-CG 4.15Å; I203-E207 WeakPolarHBondContact O-CB 3.45Å; I203-E207 WeakPolarHBondContact O-CG 3.48Å; I203-E207 PolarHBondContact O-N 3.18Å; L205-E207 VanDerWaalsContact C-N 3.33Å; L205-E207 PolarHBondContact O-N 3.47Å; E207-E209 VanDerWaalsContact C-N 3.34Å; E207-E209 PolarHBondContact O-N 2.71Å; E207-S210 WeakPolarHBondContact O-CB 3.39Å; E207-S210 PolarHBondContact O-N 3.47Å; E207-I211 HydrophobicContact CB-CD1 4.45Å; E207-I211 VanDerWaalsContact O-CB 3.3Å; E207-I211 WeakPolarHBondContact O-CB 3.45Å; E207-I211 WeakPolarHBondContact O-CD1 3.39Å; E207-I211 WeakPolarHBondContact O-CG1 3.41Å; E207-I211 PolarHBondContact O-N 3.03Å
208I97.3Very high95.6Very high4 Ų451.6 Ų51.62%0.02125%0.25CS..Hα-helixtrans-62.3-41.8176.8-74.7169.2000111.2F109 M110 L113 P127 S204 L205 I211 D212F109-I208 HydrophobicContact CB-CD1 3.78Å; F109-I208 HydrophobicContact CB-CG1 3.81Å; M110-I208 HydrophobicContact CG-CD1 4.01Å; M110-I208 HydrophobicContact SD-CD1 3.65Å; L113-I208 HydrophobicContact CD1-CD1 3.57Å; P127-I208 HydrophobicContact CB-CD1 4.47Å; P127-I208 HydrophobicContact CB-CG2 3.92Å; P127-I208 HydrophobicContact CG-CD1 3.97Å; P127-I208 HydrophobicContact CG-CG2 4.17Å; S204-I208 WeakPolarHBondContact O-CB 3.4Å; S204-I208 VanDerWaalsContact O-CG1 3.26Å; S204-I208 WeakPolarHBondContact O-CG1 3.48Å; S204-I208 PolarHBondContact O-N 3.49Å; L205-I208 PolarHBondContact O-N 3.41Å; I208-I211 PolarHBondContact O-N 3.49Å; I208-D212 WeakPolarHBondContact O-CB 3.47Å; I208-D212 PolarHBondContact O-N 3.41Å
209E94.2Very high95.4Very high123 Ų12354.6 Ų54.658%0.57526%0.259SS*.Hα-helixtrans-60.2-46.3175.4-72.1-175.9-178.100111.5L205 E206 E207 Q213L205-E209 PolarHBondContact O-N 2.98Å; L205-E209 VanDerWaalsContact O-N 3.16Å; E206-E209 PolarHBondContact O-N 2.91Å; E207-E209 VanDerWaalsContact C-N 3.34Å; E207-E209 PolarHBondContact O-N 2.71Å; E209-Q213 VanDerWaalsContact O-CG 3.31Å; E209-Q213 WeakPolarHBondContact O-CG 2.99Å; E209-Q213 PolarHBondContact O-N 3.37Å
210S96.4Very high95.2Very high56 Ų5656.9 Ų56.939%0.39227%0.273SS..Hα-helixtrans-61.2-47.1176.8-175.10000111.9E206 E207 Q213 E214E206-S210 PolarHBondContact O-N 2.75Å; E206-S210 VanDerWaalsContact O-N 3.11Å; E207-S210 WeakPolarHBondContact O-CB 3.39Å; E207-S210 PolarHBondContact O-N 3.47Å; S210-Q213 PolarHBondContact O-N 3.24Å; S210-E214 PolarHBondContact O-N 3.47Å
211I97.6Very high94.7Very high0 Ų062.4 Ų62.40%029%0.294CS..Hα-helixtrans-61.6-46.9178.9-72.6163.9000111.1M90 L102 A105 R106 F109 E207 I208 Q213 E214 I215M90-I211 HydrophobicContact CE-CD1 4.13Å; M90-I211 HydrophobicContact CE-CG1 3.61Å; M90-I211 HydrophobicContact CG-CD1 4.38Å; M90-I211 HydrophobicContact SD-CD1 3.79Å; M90-I211 HydrophobicContact SD-CG1 3.76Å; L102-I211 HydrophobicContact CB-CG2 4.09Å; L102-I211 HydrophobicContact CD2-CB 4.36Å; L102-I211 HydrophobicContact CD2-CG1 3.96Å; L102-I211 HydrophobicContact CD2-CG2 4.13Å; L102-I211 WeakPolarHBondContact O-CG2 3.39Å; A105-I211 HydrophobicContact CB-CD1 3.92Å; R106-I211 HydrophobicContact CB-CG2 4Å; R106-I211 HydrophobicContact CG-CG2 4.4Å; F109-I211 HydrophobicContact CD2-CD1 3.85Å; F109-I211 HydrophobicContact CE2-CD1 3.93Å; E207-I211 HydrophobicContact CB-CD1 4.45Å; E207-I211 VanDerWaalsContact O-CB 3.3Å; E207-I211 WeakPolarHBondContact O-CB 3.45Å; E207-I211 WeakPolarHBondContact O-CD1 3.39Å; E207-I211 WeakPolarHBondContact O-CG1 3.41Å; E207-I211 PolarHBondContact O-N 3.03Å; I208-I211 PolarHBondContact O-N 3.49Å; I211-Q213 VanDerWaalsContact C-N 3.3Å; I211-Q213 PolarHBondContact O-N 2.98Å; I211-E214 PolarHBondContact O-N 3.21Å; I211-I215 HydrophobicContact CG2-CD1 3.58Å; I211-I215 HydrophobicContact CG2-CG1 4.14Å; I211-I215 WeakPolarHBondContact O-CB 3.24Å; I211-I215 VanDerWaalsContact O-CG1 3.27Å; I211-I215 WeakPolarHBondContact O-CG1 3.47Å; I211-I215 PolarHBondContact O-N 3.12Å
212D95.5Very high94Very high41 Ų4164.3 Ų64.322%0.21930%0.304CS..Hα-helixtrans-65.8-33.8-178.2-91.1-38000112R106 K130 I208 K216R106-D212 IonicContact CZ-OD1 3.94Å; R106-D212 IonicContact CZ-OD2 3.49Å; R106-D212 IonicContact NE-OD1 3.08Å; R106-D212 PolarHBondContact NE-OD1 2.88Å; R106-D212 IonicContact NE-OD2 3.74Å; R106-D212 PolarHBondContact NE-OD2 3.42Å; R106-D212 IonicContact NH2-OD1 3.95Å; R106-D212 IonicContact NH2-OD2 3Å; R106-D212 PolarHBondContact NH2-OD2 3.43Å; K130-D212 IonicContact NZ-OD1 2.77Å; K130-D212 PolarHBondContact NZ-OD1 2.97Å; I208-D212 WeakPolarHBondContact O-CB 3.47Å; I208-D212 PolarHBondContact O-N 3.41Å; D212-K216 PolarHBondContact O-N 3.37Å; D212-K216 VanDerWaalsContact O-N 3.16Å
213Q94.9Very high93.2Very high128 Ų12865 Ų6560%0.59831%0.313SS*.Hα-helixtrans-65.3-46.4171.5-69.5173.425.700111.8E209 S210 I211 K216 I217E209-Q213 VanDerWaalsContact O-CG 3.31Å; E209-Q213 WeakPolarHBondContact O-CG 2.99Å; E209-Q213 PolarHBondContact O-N 3.37Å; S210-Q213 PolarHBondContact O-N 3.24Å; I211-Q213 VanDerWaalsContact C-N 3.3Å; I211-Q213 PolarHBondContact O-N 2.98Å; Q213-K216 WeakPolarHBondContact O-CB 3.47Å; Q213-K216 PolarHBondContact O-N 3.35Å; Q213-I217 WeakPolarHBondContact O-CG1 3.33Å; Q213-I217 PolarHBondContact O-N 2.92Å
214E96.4Very high92.2Very high55 Ų5567.2 Ų67.226%0.25733%0.331SS..Hα-helixtrans-66.3-42.6179.9-167.8-178.216200111.9R98 L102 S210 I211 K216 I217 L218R98-E214 IonicContact CZ-OE1 2.75Å; R98-E214 IonicContact CZ-OE2 3.56Å; R98-E214 IonicContact NE-OE1 3.26Å; R98-E214 PolarHBondContact NE-OE1 3.28Å; R98-E214 IonicContact NE-OE2 3.37Å; R98-E214 IonicContact NH2-OE1 2.69Å; R98-E214 PolarHBondContact NH2-OE1 3.45Å; R98-E214 IonicContact NH2-OE2 3.49Å; R98-E214 PolarHBondContact NH2-OE2 2.69Å; L102-E214 HydrophobicContact CD1-CB 4.06Å; L102-E214 HydrophobicContact CD1-CG 3.78Å; L102-E214 WeakPolarHBondContact CD2-OE2 3.45Å; S210-E214 PolarHBondContact O-N 3.47Å; I211-E214 PolarHBondContact O-N 3.21Å; E214-K216 PolarHBondContact O-N 3.04Å; E214-I217 PolarHBondContact O-N 3.01Å; E214-L218 HydrophobicContact CG-CD1 4.24Å; E214-L218 HydrophobicContact CG-CG 4.44Å; E214-L218 WeakPolarHBondContact O-CG 3.47Å; E214-L218 PolarHBondContact O-N 3Å
215I94.7Very high91Very high4 Ų475.3 Ų75.32%0.02136%0.361CS..Hα-helixtrans-56.4-42.2174.8-73.3174.5000110.4L99 L102 Q103 I211 L218 R219L99-I215 HydrophobicContact CD1-CG1 4.2Å; L99-I215 HydrophobicContact CD1-CG2 4.14Å; L102-I215 HydrophobicContact CB-CD1 4Å; L102-I215 HydrophobicContact CB-CG1 3.75Å; L102-I215 HydrophobicContact CD1-CG1 3.94Å; L102-I215 HydrophobicContact CG-CG1 4.44Å; Q103-I215 HydrophobicContact CG-CD1 4.33Å; I211-I215 HydrophobicContact CG2-CD1 3.58Å; I211-I215 HydrophobicContact CG2-CG1 4.14Å; I211-I215 WeakPolarHBondContact O-CB 3.24Å; I211-I215 VanDerWaalsContact O-CG1 3.27Å; I211-I215 WeakPolarHBondContact O-CG1 3.47Å; I211-I215 PolarHBondContact O-N 3.12Å; I215-L218 PolarHBondContact O-N 3.01Å; I215-R219 HydrophobicContact CG2-CG 4.45Å; I215-R219 VanDerWaalsContact CG2-NE 3.33Å; I215-R219 VanDerWaalsContact O-CG 3.3Å; I215-R219 WeakPolarHBondContact O-CG 3.32Å; I215-R219 PolarHBondContact O-N 3.08Å; I215-R219 VanDerWaalsContact O-N 3.08Å
216K93.9Very high89.4Confident133 Ų13380 Ų8058%0.57838%0.382SS*.Hα-helixtrans-60.4-48.7178.1-176.4-178.7174.8-176.30111.1D212 Q213 E214 L218 R219 E220D212-K216 PolarHBondContact O-N 3.37Å; D212-K216 VanDerWaalsContact O-N 3.16Å; Q213-K216 WeakPolarHBondContact O-CB 3.47Å; Q213-K216 PolarHBondContact O-N 3.35Å; E214-K216 PolarHBondContact O-N 3.04Å; K216-L218 PolarHBondContact O-N 3.17Å; K216-R219 PolarHBondContact O-N 2.96Å; K216-E220 WeakPolarHBondContact CE-OE1 3.43Å; K216-E220 WeakPolarHBondContact CG-OE1 3.37Å; K216-E220 WeakPolarHBondContact O-CG 3.5Å; K216-E220 PolarHBondContact O-N 3.02Å
217I94.3Very high87.8Confident112 Ų11277.8 Ų77.857%0.57438%0.381SS*.Hα-helixtrans-61.3-45.1179.4-64.7167.5000111.3Q213 E214 R219 E220 R221Q213-I217 WeakPolarHBondContact O-CG1 3.33Å; Q213-I217 PolarHBondContact O-N 2.92Å; E214-I217 PolarHBondContact O-N 3.01Å; I217-R219 VanDerWaalsContact C-N 3.34Å; I217-R219 PolarHBondContact O-N 3.42Å; I217-E220 PolarHBondContact O-N 3.15Å; I217-R221 WeakPolarHBondContact O-CB 3.47Å; I217-R221 PolarHBondContact O-N 3.47Å
218L92.3Very high85.8Confident19 Ų1978.7 Ų78.710%0.09940%0.395CS..Hα-helixtrans-63.7-39.4-179.3-69.7175.4000112R98 L102 E214 I215 K216 R221 D222R98-L218 HydrophobicContact CG-CD1 3.96Å; L102-L218 HydrophobicContact CD1-CD1 3.49Å; L102-L218 VanDerWaalsContact CD1-CD1 3.49Å; E214-L218 HydrophobicContact CG-CD1 4.24Å; E214-L218 HydrophobicContact CG-CG 4.44Å; E214-L218 WeakPolarHBondContact O-CG 3.47Å; E214-L218 PolarHBondContact O-N 3Å; I215-L218 PolarHBondContact O-N 3.01Å; K216-L218 PolarHBondContact O-N 3.17Å; L218-R221 PolarHBondContact O-N 2.95Å; L218-D222 VanDerWaalsContact O-CG 3.29Å; L218-D222 PolarHBondContact O-N 2.77Å; L218-D222 VanDerWaalsContact O-N 3.08Å
219R91.5Very high83.8Confident114 Ų11483.8 Ų83.843%0.4343%0.426SS..Hα-helixtrans-68.1-41.3176.9-72178.3-174-79.3-4.2112.7I215 K216 I217 R221 D222 S223I215-R219 HydrophobicContact CG2-CG 4.45Å; I215-R219 VanDerWaalsContact CG2-NE 3.33Å; I215-R219 VanDerWaalsContact O-CG 3.3Å; I215-R219 WeakPolarHBondContact O-CG 3.32Å; I215-R219 PolarHBondContact O-N 3.08Å; I215-R219 VanDerWaalsContact O-N 3.08Å; K216-R219 PolarHBondContact O-N 2.96Å; I217-R219 VanDerWaalsContact C-N 3.34Å; I217-R219 PolarHBondContact O-N 3.42Å; R219-R221 VanDerWaalsContact C-N 3.33Å; R219-D222 PolarHBondContact O-N 3.33Å; R219-S223 WeakPolarHBondContact O-CB 3.5Å; R219-S223 PolarHBondContact O-N 3.43Å; R219-S223 PolarHBondContact O-OG 3.24Å
220E90.6Very high82Confident104 Ų10482.1 Ų82.149%0.48643%0.428SS..Hα-helixtrans-64.5-39176.4-73.1173.9-173.900111.5K216 I217 S224K216-E220 WeakPolarHBondContact CE-OE1 3.43Å; K216-E220 WeakPolarHBondContact CG-OE1 3.37Å; K216-E220 WeakPolarHBondContact O-CG 3.5Å; K216-E220 PolarHBondContact O-N 3.02Å; I217-E220 PolarHBondContact O-N 3.15Å; E220-S224 WeakPolarHBondContact O-CB 3.46Å; E220-S224 PolarHBondContact O-N 2.67Å; E220-S224 PolarHBondContact O-OG 2.8Å
221R88.5Confident79.9Confident126 Ų12685.6 Ų85.648%0.47544%0.442SS..Hα-helixtrans-60.9-48.4173.9-178.5-160.669.6-170.2-3.9111.8I217 L218 R219 S224 R225I217-R221 WeakPolarHBondContact O-CB 3.47Å; I217-R221 PolarHBondContact O-N 3.47Å; L218-R221 PolarHBondContact O-N 2.95Å; R219-R221 VanDerWaalsContact C-N 3.33Å; R221-S224 PolarHBondContact O-N 2.94Å; R221-R225 WeakPolarHBondContact O-CB 3.4Å; R221-R225 PolarHBondContact O-N 2.86Å
222D81.2Confident77.5Confident42 Ų4291 Ų9123%0.22548%0.48CS..Hα-helixtrans-68-41.1-176.5-66.9-13.7000110.8L218 R219 S224 R225 E226L218-D222 VanDerWaalsContact O-CG 3.29Å; L218-D222 PolarHBondContact O-N 2.77Å; L218-D222 VanDerWaalsContact O-N 3.08Å; R219-D222 PolarHBondContact O-N 3.33Å; D222-S224 VanDerWaalsContact C-N 3.34Å; D222-S224 PolarHBondContact O-N 2.7Å; D222-R225 PolarHBondContact O-N 3.43Å; D222-R225 VanDerWaalsContact O-N 3.17Å; D222-E226 WeakPolarHBondContact O-CG 3.29Å; D222-E226 PolarHBondContact O-N 2.95Å
223S78.9Confident75.5Confident73 Ų7393.4 Ų93.451%0.5150%0.5SS..Hα-helixtrans-60.3-41.6173.1-53.50000112.3R219 R225 E226 A227R219-S223 WeakPolarHBondContact O-CB 3.5Å; R219-S223 PolarHBondContact O-N 3.43Å; R219-S223 PolarHBondContact O-OG 3.24Å; S223-R225 VanDerWaalsContact C-N 3.35Å; S223-E226 PolarHBondContact O-N 3.31Å; S223-A227 WeakPolarHBondContact O-CB 3.33Å; S223-A227 PolarHBondContact O-N 3.3Å
224S74.3Confident73.5Confident72 Ų7299 Ų9950%0.50352%0.516SS..Hα-helixtrans-68-34176.8-59.80000112.3E220 R221 D222 S228E220-S224 WeakPolarHBondContact O-CB 3.46Å; E220-S224 PolarHBondContact O-N 2.67Å; E220-S224 PolarHBondContact O-OG 2.8Å; R221-S224 PolarHBondContact O-N 2.94Å; D222-S224 VanDerWaalsContact C-N 3.34Å; D222-S224 PolarHBondContact O-N 2.7Å; S224-S228 WeakPolarHBondContact O-CB 3.1Å; S224-S228 PolarHBondContact O-N 3.12Å; S224-S228 VanDerWaalsContact O-N 3.08Å; S224-S228 PolarHBondContact O-OG 2.82Å
225R71.9Confident71.7Confident171 Ų171104.6 Ų104.665%0.64554%0.542SS*.Hα-helixtrans-69.3-40.8176.4-163.4172.776.1179.92.7111.6R221 D222 S223 S228 T229R221-R225 WeakPolarHBondContact O-CB 3.4Å; R221-R225 PolarHBondContact O-N 2.86Å; D222-R225 PolarHBondContact O-N 3.43Å; D222-R225 VanDerWaalsContact O-N 3.17Å; S223-R225 VanDerWaalsContact C-N 3.35Å; R225-S228 PolarHBondContact O-N 3.46Å; R225-T229 PolarHBondContact O-N 2.79Å; R225-T229 VanDerWaalsContact O-N 3.12Å; R225-T229 PolarHBondContact O-OG1 3.44Å
226E62Low69.7Low138 Ų138113.2 Ų113.265%0.64558%0.582SS**Hα-helixtrans-67.4-37.1175-71175.6-178.100112.7D222 S223 S228 T229 S230D222-E226 WeakPolarHBondContact O-CG 3.29Å; D222-E226 PolarHBondContact O-N 2.95Å; S223-E226 PolarHBondContact O-N 3.31Å; E226-S228 VanDerWaalsContact C-N 3.26Å; E226-S228 PolarHBondContact O-N 3.36Å; E226-T229 PolarHBondContact O-OG1 3.41Å; E226-T229 VanDerWaalsContact O-OG1 3.04Å; E226-S230 PolarHBondContact O-OG 3.3Å
227A59.9Low68.2Low57 Ų57117.7 Ų117.747%0.47160%0.595SS.*Hα-helixtrans-67.4-26.7171.900000112.9S223 S230S223-A227 WeakPolarHBondContact O-CB 3.33Å; S223-A227 PolarHBondContact O-N 3.3Å; A227-S230 PolarHBondContact O-OG 3.25Å
228S55.7Low67Low81 Ų81117.5 Ų117.557%0.56660%0.601SS**Hα-helixtrans-82-30.4179.8-57.80000113.2S224 R225 E226 S230S224-S228 WeakPolarHBondContact O-CB 3.1Å; S224-S228 PolarHBondContact O-N 3.12Å; S224-S228 VanDerWaalsContact O-N 3.08Å; S224-S228 PolarHBondContact O-OG 2.82Å; R225-S228 PolarHBondContact O-N 3.46Å; E226-S228 VanDerWaalsContact C-N 3.26Å; E226-S228 PolarHBondContact O-N 3.36Å; S228-S230 VanDerWaalsContact C-N 3.32Å
229T55.5Low65.9Low111 Ų111122.4 Ų122.468%0.68164%0.635SS**Hα-helixtrans-75.1-21.6177.151.20000112.9R225 E226R225-T229 PolarHBondContact O-N 2.79Å; R225-T229 VanDerWaalsContact O-N 3.12Å; R225-T229 PolarHBondContact O-OG1 3.44Å; E226-T229 PolarHBondContact O-OG1 3.41Å; E226-T229 VanDerWaalsContact O-OG1 3.04Å
230S54.8Low64.8Low88 Ų88123.3 Ų123.362%0.61565%0.653SS**Hα-helixtrans-86.7-23.8174.747.30000113.8E226 A227 S228E226-S230 PolarHBondContact O-OG 3.3Å; A227-S230 PolarHBondContact O-OG 3.25Å; S228-S230 VanDerWaalsContact C-N 3.32Å
231N52.5Low63.6Low129 Ų129126.8 Ų126.869%0.6967%0.666SS**  trans-102.652.9177.1-85.5-4.4000113S233N231-S233 PolarHBondContact O-N 3.26Å
232S48.8Very low62.4Low114 Ų114125.6 Ų125.680%0.79767%0.674SS**  trans-79.359167.8175.30000111.8
233S53Low61.7Low91 Ų91131.6 Ų131.664%0.63670%0.699SS**  trans-121.391.914765.80000106.2N231 Q235N231-S233 PolarHBondContact O-N 3.26Å; S233-Q235 PolarHBondContact O-N 3.31Å
234R52.6Low61.1Low246 Ų246131.5 Ų131.593%0.92869%0.692SS**  trans-54.996.8165.7-92.2179.5170.3174.2-2.8106.7E236R234-E236 PolarHBondContact O-N 3.49Å; R234-E236 VanDerWaalsContact O-N 3.12Å
235Q58.6Low61Low172 Ų172135.6 Ų135.680%0.80471%0.707SS**  trans-64113.5159.9-72.5-167.3-25.300105.2S233 R237S233-Q235 PolarHBondContact O-N 3.31Å; Q235-R237 PolarHBondContact O-N 3.02Å
236E52.2Low61.1Low185 Ų185129.1 Ų129.186%0.86469%0.687SS**  trans-52.1106.8166.8-75.9-176.1158.100106.7R234 P238R234-E236 PolarHBondContact O-N 3.49Å; R234-E236 VanDerWaalsContact O-N 3.12Å; E236-P238 WeakPolarHBondContact O-CD 3.31Å
237R62.7Low61.8Low226 Ų226134.2 Ų134.285%0.85370%0.7SS**PPolyproline II helixtrans-60.8125.5173.6-70.2-177.2179.9-178.8-0.3105.7Q235Q235-R237 PolarHBondContact O-N 3.02Å
238P68.8Low62.7Low108 Ų108135.2 Ų135.270%0.70170%0.697SS**PPolyproline II helixtrans-54.7138.1177.820.3-29.9000108.5E236 V240E236-P238 WeakPolarHBondContact O-CD 3.31Å; P238-V240 PolarHBondContact O-N 3.06Å; P238-V240 VanDerWaalsContact O-N 3.11Å
239P69.8Low63.7Low123 Ų123136.8 Ų136.880%0.79970%0.704SS**PPolyproline II helixtrans-55.2122.3-175.620.7-31.9000109.6K241P239-K241 PolarHBondContact O-N 2.99Å
240V68.1Low64.6Low133 Ų133134.4 Ų134.481%0.80670%0.695SS**PPolyproline II helixtrans-69.5116.2-179.5-159.10000107.3P238P238-V240 PolarHBondContact O-N 3.06Å; P238-V240 VanDerWaalsContact O-N 3.11Å
241K64.8Low65.3Low177 Ų177134 Ų13477%0.7768%0.684SS**PPolyproline II helixtrans-70.8129.2174.4-65.2-178.7-178.5-178.40108.3P239 F243P239-K241 PolarHBondContact O-N 2.99Å; K241-F243 PolarHBondContact O-N 3.01Å
242P64.5Low66.5Low100 Ų100129.7 Ų129.765%0.64967%0.666SS**PPolyproline II helixtrans-60.7129.7174.124.6-31.8000109.4
243F66.1Low67.5Low168 Ų168132.7 Ų132.774%0.73767%0.665SS**  trans-110.7144.4175.770.3-87.3000109.8K241K241-F243 PolarHBondContact O-N 3.01Å
244I66Low68.2Low72 Ų72132.5 Ų132.537%0.36966%0.66SS.*  trans-99.3119.9174.9-60.3176.6000107.5T246 F255 Y259I244-T246 HydrophobicContact CG2-CG2 3.88Å; I244-T246 PolarHBondContact O-N 3Å; I244-F255 HydrophobicContact CD1-CB 4.29Å; I244-Y259 HydrophobicContact CD1-CD2 3.97Å; I244-Y259 HydrophobicContact CD1-CG 4.43Å
245L72.3Confident68.9Low157 Ų157125.7 Ų125.782%0.82264%0.637SS**  trans-75.1106.9170.7-173.264.5000108.5
246T74.9Confident69.3Low36 Ų36119.4 Ų119.422%0.22162%0.619CS.*  trans-100.3147.5-178.247.50000110.6I244 Q251 A252 F255I244-T246 HydrophobicContact CG2-CG2 3.88Å; I244-T246 PolarHBondContact O-N 3Å; T246-Q251 HydrophobicContact CG2-CB 3.82Å; T246-A252 WeakPolarHBondContact OG1-CA 3.15Å; T246-A252 VanDerWaalsContact OG1-CB 3.22Å; T246-A252 WeakPolarHBondContact OG1-CB 3.47Å; T246-A252 PolarHBondContact OG1-N 3.29Å; T246-F255 HydrophobicContact CG2-CB 4.2Å
247R76Confident69.9Low244 Ų244114.5 Ų114.592%0.92161%0.609SS**SBendtrans-74.9-26.6-175.8-83.9-176.6175.6146.7-2.4113.3
248N79.3Confident69.9Low78 Ų78104.8 Ų104.842%0.41758%0.58SS.*SBendtrans-140.6161.9-177.564.415.8000112.3A250 Q251 A252N248-A250 PolarHBondContact O-N 3.38Å; N248-Q251 PolarHBondContact O-N 3.5Å; N248-Q251 WeakPolarHBondContact OD1-CB 3.3Å; N248-Q251 VanDerWaalsContact OD1-CD 3.23Å; N248-Q251 WeakPolarHBondContact OD1-CG 3.5Å; N248-Q251 PolarHBondContact OD1-N 3.24Å; N248-Q251 PolarHBondContact OD1-OE1 3.11Å; N248-A252 PolarHBondContact O-N 3.07Å
249T76.3Confident69.2Low114 Ų114107.9 Ų107.970%0.69958%0.579SS**Hα-helixtrans-63.6-28.3-175.654.90000113K253T249-K253 WeakPolarHBondContact O-CG 3.46Å; T249-K253 PolarHBondContact O-N 3.43Å
250A73.8Confident69Low61 Ų61106.7 Ų106.750%0.50457%0.571SS.*Hα-helixtrans-67.9-49175.500000111.6N248 A252 K253 V254N248-A250 PolarHBondContact O-N 3.38Å; A250-A252 VanDerWaalsContact C-N 3.29Å; A250-A252 PolarHBondContact O-N 3.1Å; A250-K253 PolarHBondContact O-N 3.14Å; A250-V254 PolarHBondContact O-N 3.04Å
251Q70.6Confident68.7Low80 Ų80103.7 Ų103.737%0.37456%0.556SS.*Hα-helixtrans-62.9-37.9174.5-72.6168.31.100111.3T246 N248 K253 V254 F255T246-Q251 HydrophobicContact CG2-CB 3.82Å; N248-Q251 PolarHBondContact O-N 3.5Å; N248-Q251 WeakPolarHBondContact OD1-CB 3.3Å; N248-Q251 VanDerWaalsContact OD1-CD 3.23Å; N248-Q251 WeakPolarHBondContact OD1-CG 3.5Å; N248-Q251 PolarHBondContact OD1-N 3.24Å; N248-Q251 PolarHBondContact OD1-OE1 3.11Å; Q251-K253 VanDerWaalsContact C-N 3.27Å; Q251-K253 PolarHBondContact O-N 3.17Å; Q251-V254 PolarHBondContact O-N 3.49Å; Q251-F255 HydrophobicContact CB-CD2 4.21Å; Q251-F255 WeakPolarHBondContact O-CB 3.4Å; Q251-F255 WeakPolarHBondContact O-CD2 3.39Å; Q251-F255 PolarHBondContact O-N 3.12Å
252A76.9Confident68.8Low39 Ų39102.7 Ų102.732%0.32256%0.558SS.*Hα-helixtrans-59.4-36.7175.800000112.6T246 N248 A250 G256T246-A252 WeakPolarHBondContact OG1-CA 3.15Å; T246-A252 VanDerWaalsContact OG1-CB 3.22Å; T246-A252 WeakPolarHBondContact OG1-CB 3.47Å; T246-A252 PolarHBondContact OG1-N 3.29Å; N248-A252 PolarHBondContact O-N 3.07Å; A250-A252 VanDerWaalsContact C-N 3.29Å; A250-A252 PolarHBondContact O-N 3.1Å; A252-G256 WeakPolarHBondContact O-CA 3.42Å; A252-G256 PolarHBondContact O-N 3.41Å
253K71.3Confident68.9Low177 Ų177102.5 Ų102.577%0.7757%0.566SS**Hα-helixtrans-70.4-34.2178-74.8176.2-178.4-178.70113T249 A250 Q251T249-K253 WeakPolarHBondContact O-CG 3.46Å; T249-K253 PolarHBondContact O-N 3.43Å; A250-K253 PolarHBondContact O-N 3.14Å; Q251-K253 VanDerWaalsContact C-N 3.27Å; Q251-K253 PolarHBondContact O-N 3.17Å
254V67.1Low69Low86 Ų86101.4 Ų101.452%0.52157%0.573SS.*Hα-helixtrans-82.6-45.2-179179.60000111.4A250 Q251A250-V254 PolarHBondContact O-N 3.04Å; Q251-V254 PolarHBondContact O-N 3.49Å
255F67.8Low69.3Low103 Ų103101.4 Ų101.445%0.45257%0.572SS.*Hα-helixtrans-108.6-12.3-169.5-57-69.3000114.1I244 T246 Q251 A257I244-F255 HydrophobicContact CD1-CB 4.29Å; T246-F255 HydrophobicContact CG2-CB 4.2Å; Q251-F255 HydrophobicContact CB-CD2 4.21Å; Q251-F255 WeakPolarHBondContact O-CB 3.4Å; Q251-F255 WeakPolarHBondContact O-CD2 3.39Å; Q251-F255 PolarHBondContact O-N 3.12Å; F255-A257 VanDerWaalsContact C-N 3.35Å; F255-A257 PolarHBondContact O-N 3.08Å
256G66.6Low69.6Low41 Ų4197.5 Ų97.542%0.42356%0.555SS.*THydrogen-bonded Turntrans-82.2-5.8-17600000115.1A252 G258A252-G256 WeakPolarHBondContact O-CA 3.42Å; A252-G256 PolarHBondContact O-N 3.41Å; G256-G258 PolarHBondContact O-N 3.22Å; G256-G258 VanDerWaalsContact O-N 3.16Å
257A64.1Low69.5Low81 Ų81101.2 Ų101.267%0.66958%0.577SS**THydrogen-bonded Turntrans-77.310.717900000114.3F255F255-A257 VanDerWaalsContact C-N 3.35Å; F255-A257 PolarHBondContact O-N 3.08Å
258G62.9Low69.6Low23 Ų2393.4 Ų93.424%0.23756%0.56CS.*  trans84.6139.8-171.100000111G256 P260 S261G256-G258 PolarHBondContact O-N 3.22Å; G256-G258 VanDerWaalsContact O-N 3.16Å; G258-P260 CarbonylContact O-C 3.27Å; G258-P260 VanDerWaalsContact O-C 3.27Å; G258-S261 PolarHBondContact O-N 2.61Å; G258-S261 VanDerWaalsContact O-N 3.08Å
259Y55.1Low69.8Low172 Ų17293.2 Ų93.268%0.67556%0.559SS**SBendtrans-95.7137.7-175.4-164.1-91000111.5I244I244-Y259 HydrophobicContact CD1-CD2 3.97Å; I244-Y259 HydrophobicContact CD1-CG 4.43Å
260P63.8Low70Confident99 Ų9993.1 Ų93.164%0.64355%0.546SS*.SBendcis-73.8140.5-19.5-11.929.1000110.5G258 L262G258-P260 CarbonylContact O-C 3.27Å; G258-P260 VanDerWaalsContact O-C 3.27Å; P260-L262 PolarHBondContact O-N 2.67Å
261S63.1Low70.1Confident70 Ų7096.5 Ų96.549%0.4955%0.547SS..  trans-65.6111.4170.848.20000108G258 A263G258-S261 PolarHBondContact O-N 2.61Å; G258-S261 VanDerWaalsContact O-N 3.08Å; S261-A263 PolarHBondContact O-N 2.65Å
262L65.4Low70.6Confident155 Ų15597.6 Ų97.681%0.81255%0.552SS**  trans-58.6127.8177.2-74.6160.3000108.5P260 T264P260-L262 PolarHBondContact O-N 2.67Å; L262-T264 PolarHBondContact O-N 3.16Å; L262-T264 PolarHBondContact O-OG1 3.07Å; L262-T264 VanDerWaalsContact O-OG1 3.14Å
263A67.9Low70.7Confident97 Ų97100 Ų10080%0.80256%0.556SS**  trans-52.8109.617700000109S261 M265S261-A263 PolarHBondContact O-N 2.65Å; A263-M265 PolarHBondContact O-N 3.23Å
264T67.1Low70.8Confident145 Ų14594.4 Ų94.489%0.8953%0.533SS*.  trans-82.4-8.6-171.8-360000111.9L262L262-T264 PolarHBondContact O-N 3.16Å; L262-T264 PolarHBondContact O-OG1 3.07Å; L262-T264 VanDerWaalsContact O-OG1 3.14Å
265M73Confident71Confident72 Ų7298 Ų9836%0.35554%0.537SS..SBendtrans-150.4142.3-174.8-169.3167.359.800110A263 D269 W270 Q273A263-M265 PolarHBondContact O-N 3.23Å; M265-D269 HydrophobicContact CG-CB 3.25Å; M265-D269 HydrophobicContact SD-CB 3.85Å; M265-W270 VanDerWaalsContact CE-CA 3.45Å; M265-W270 HydrophobicContact CE-CB 3.57Å; M265-W270 HydrophobicContact CE-CG 3.91Å; M265-Q273 PolarHBondContact SD-OE1 3.34Å; M265-Q273 VanDerWaalsContact SD-OE1 3.39Å
266T78.7Confident71.3Confident74 Ų74101.9 Ų101.945%0.45455%0.553SS.*  trans-79.7162.2174.660.60000111.6S268 D269 W270T266-S268 PolarHBondContact O-N 3.39Å; T266-S268 PolarHBondContact OG1-OG 3.32Å; T266-D269 PolarHBondContact N-OD2 2.92Å; T266-D269 PolarHBondContact O-N 3.06Å; T266-D269 PolarHBondContact OG1-N 2.97Å; T266-D269 PolarHBondContact OG1-OD2 3.02Å; T266-W270 PolarHBondContact O-N 3.15Å
267V73.1Confident71.7Confident115 Ų115108.4 Ų108.470%0.69757%0.567SS**Hα-helixtrans-58.4-36.2177.7-179.70000111.4Y271V267-Y271 HydrophobicContact CG1-CD2 4.43Å; V267-Y271 PolarHBondContact O-N 2.98Å; V267-Y271 VanDerWaalsContact O-N 3.15Å
268S78.4Confident71.8Confident79 Ų79107.7 Ų107.755%0.55257%0.567SS**Hα-helixtrans-64.9-47.4175.138.70000112.3T266 W270 Y271 E272T266-S268 PolarHBondContact O-N 3.39Å; T266-S268 PolarHBondContact OG1-OG 3.32Å; S268-W270 VanDerWaalsContact C-N 3.29Å; S268-W270 PolarHBondContact O-N 3.34Å; S268-Y271 WeakPolarHBondContact O-CB 3.36Å; S268-Y271 PolarHBondContact O-N 3Å; S268-Y271 VanDerWaalsContact O-N 3.16Å; S268-E272 PolarHBondContact O-N 3.1Å
269D82.5Confident71.8Confident75 Ų75109.7 Ų109.740%0.40158%0.581SS.*Hα-helixtrans-63-38.3179.8-62.9-30.1000111.1M265 T266 E272 Q273M265-D269 HydrophobicContact CG-CB 3.25Å; M265-D269 HydrophobicContact SD-CB 3.85Å; T266-D269 PolarHBondContact N-OD2 2.92Å; T266-D269 PolarHBondContact O-N 3.06Å; T266-D269 PolarHBondContact OG1-N 2.97Å; T266-D269 PolarHBondContact OG1-OD2 3.02Å; D269-E272 PolarHBondContact O-N 3.15Å; D269-Q273 VanDerWaalsContact O-CB 3.3Å; D269-Q273 WeakPolarHBondContact O-CB 3.31Å; D269-Q273 PolarHBondContact O-N 3.2Å
270W79.9Confident71.8Confident112 Ų112104.8 Ų104.842%0.42457%0.566SS.*Hα-helixtrans-59.8-46.6174.1-174.689.6000111.9M265 T266 S268 H274M265-W270 VanDerWaalsContact CE-CA 3.45Å; M265-W270 HydrophobicContact CE-CB 3.57Å; M265-W270 HydrophobicContact CE-CG 3.91Å; T266-W270 PolarHBondContact O-N 3.15Å; S268-W270 VanDerWaalsContact C-N 3.29Å; S268-W270 PolarHBondContact O-N 3.34Å; W270-H274 AromaticContact CD1-CE1 3.59Å; W270-H274 AromaticContact CD1-ND1 3.8Å; W270-H274 AromaticContact CD2-CE1 3.98Å; W270-H274 AromaticContact CD2-ND1 3.62Å; W270-H274 AromaticContact CE2-CE1 3.36Å; W270-H274 AromaticContact CE2-ND1 3.42Å; W270-H274 AromaticContact CG-ND1 3.86Å; W270-H274 AromaticContact CZ2-CE1 3.82Å; W270-H274 AromaticContact CZ2-ND1 3.88Å; W270-H274 AromaticContact NE1-CE1 3.1Å; W270-H274 PolarHBondContact NE1-CE1 2.91Å; W270-H274 AromaticContact NE1-ND1 3.55Å; W270-H274 AromaticContact NE1-NE2 3.96Å; W270-H274 PolarHBondContact O-N 3.45Å; W270-H274 PolarHBondContact O-ND1 3.03Å
271Y76.9Confident71.6Confident132 Ų132105.5 Ų105.552%0.51857%0.571SS.*Hα-helixtrans-63-44.1178.1-109.1-87.7000111.7V267 S268 H274 R275 L280V267-Y271 HydrophobicContact CG1-CD2 4.43Å; V267-Y271 PolarHBondContact O-N 2.98Å; V267-Y271 VanDerWaalsContact O-N 3.15Å; S268-Y271 WeakPolarHBondContact O-CB 3.36Å; S268-Y271 PolarHBondContact O-N 3Å; S268-Y271 VanDerWaalsContact O-N 3.16Å; Y271-H274 PolarHBondContact O-N 3.34Å; Y271-R275 VanDerWaalsContact O-CB 3.29Å; Y271-R275 WeakPolarHBondContact O-CB 3.42Å; Y271-R275 PolarHBondContact O-N 2.94Å; Y271-L280 HydrophobicContact CD1-CD2 3.97Å; Y271-L280 HydrophobicContact CE1-CD2 3.74Å
272E80.1Confident71Confident103 Ų103109.2 Ų109.248%0.48159%0.585SS.*Hα-helixtrans-67.9-38.5-178.3-122.8173.8-168.700112.6S268 D269 R275 K276S268-E272 PolarHBondContact O-N 3.1Å; D269-E272 PolarHBondContact O-N 3.15Å; E272-R275 VanDerWaalsContact CG-NH2 3.32Å; E272-R275 IonicContact OE1-NH2 3.28Å; E272-R275 PolarHBondContact OE1-NH2 2.98Å; E272-K276 PolarHBondContact O-N 2.77Å
273Q78.9Confident70.1Confident90 Ų90109.8 Ų109.842%0.42158%0.584SS.*Hα-helixtrans-63.5-50.2174.5-170171.1-25.600110.8M265 D269 R275 K276 Y277M265-Q273 PolarHBondContact SD-OE1 3.34Å; M265-Q273 VanDerWaalsContact SD-OE1 3.39Å; D269-Q273 VanDerWaalsContact O-CB 3.3Å; D269-Q273 WeakPolarHBondContact O-CB 3.31Å; D269-Q273 PolarHBondContact O-N 3.2Å; Q273-R275 VanDerWaalsContact C-N 3.32Å; Q273-R275 PolarHBondContact O-N 3.14Å; Q273-K276 WeakPolarHBondContact O-CB 3.44Å; Q273-K276 PolarHBondContact O-N 3.25Å; Q273-Y277 HydrophobicContact CG-CD2 3.81Å; Q273-Y277 HydrophobicContact CG-CE2 3.61Å; Q273-Y277 WeakPolarHBondContact O-CD2 3.47Å; Q273-Y277 PolarHBondContact O-N 3.49Å; Q273-Y277 VanDerWaalsContact O-N 3.08Å
274H73.3Confident69.1Low58 Ų58108.8 Ų108.827%0.26958%0.583SS.*Hα-helixtrans-67-32.1-180-74.482.9000113W270 Y271 Y277 G278 A279W270-H274 AromaticContact CD1-CE1 3.59Å; W270-H274 AromaticContact CD1-ND1 3.8Å; W270-H274 AromaticContact CD2-CE1 3.98Å; W270-H274 AromaticContact CD2-ND1 3.62Å; W270-H274 AromaticContact CE2-CE1 3.36Å; W270-H274 AromaticContact CE2-ND1 3.42Å; W270-H274 AromaticContact CG-ND1 3.86Å; W270-H274 AromaticContact CZ2-CE1 3.82Å; W270-H274 AromaticContact CZ2-ND1 3.88Å; W270-H274 AromaticContact NE1-CE1 3.1Å; W270-H274 PolarHBondContact NE1-CE1 2.91Å; W270-H274 AromaticContact NE1-ND1 3.55Å; W270-H274 AromaticContact NE1-NE2 3.96Å; W270-H274 PolarHBondContact O-N 3.45Å; W270-H274 PolarHBondContact O-ND1 3.03Å; Y271-H274 PolarHBondContact O-N 3.34Å; H274-Y277 PolarHBondContact O-N 2.91Å; H274-G278 PolarHBondContact O-N 2.88Å; H274-A279 PolarHBondContact O-N 3.05Å; H274-A279 VanDerWaalsContact O-N 3.14Å
275R72.6Confident68.1Low162 Ų162109.9 Ų109.961%0.61158%0.582SS**Hα-helixtrans-64.7-43171.1-171.5-179.466.9-169.4-4.6111.7Y271 E272 Q273 Y277 G278Y271-R275 VanDerWaalsContact O-CB 3.29Å; Y271-R275 WeakPolarHBondContact O-CB 3.42Å; Y271-R275 PolarHBondContact O-N 2.94Å; E272-R275 VanDerWaalsContact CG-NH2 3.32Å; E272-R275 IonicContact OE1-NH2 3.28Å; E272-R275 PolarHBondContact OE1-NH2 2.98Å; Q273-R275 VanDerWaalsContact C-N 3.32Å; Q273-R275 PolarHBondContact O-N 3.14Å; R275-Y277 VanDerWaalsContact C-N 3.32Å; R275-Y277 PolarHBondContact O-N 3.32Å; R275-G278 PolarHBondContact O-N 3.11Å
276K74.3Confident66.9Low184 Ų184110.8 Ų110.880%0.860%0.601SS**Hα-helixtrans-62.5-36.8176.1-92.3-175.9176.41750112.9E272 Q273 G278E272-K276 PolarHBondContact O-N 2.77Å; Q273-K276 WeakPolarHBondContact O-CB 3.44Å; Q273-K276 PolarHBondContact O-N 3.25Å; K276-G278 VanDerWaalsContact C-N 3.27Å; K276-G278 PolarHBondContact O-N 3.33Å
277Y74.4Confident65.6Low179 Ų179117 Ų11770%0.70262%0.621SS**THydrogen-bonded Turntrans-84.44.1178.6-71-70.1000113.8Q273 H274 R275 A279Q273-Y277 HydrophobicContact CG-CD2 3.81Å; Q273-Y277 HydrophobicContact CG-CE2 3.61Å; Q273-Y277 WeakPolarHBondContact O-CD2 3.47Å; Q273-Y277 PolarHBondContact O-N 3.49Å; Q273-Y277 VanDerWaalsContact O-N 3.08Å; H274-Y277 PolarHBondContact O-N 2.91Å; R275-Y277 VanDerWaalsContact C-N 3.32Å; R275-Y277 PolarHBondContact O-N 3.32Å; Y277-A279 PolarHBondContact O-N 3.12Å; Y277-A279 VanDerWaalsContact O-N 3.14Å
278G67Low64.6Low65 Ų65114 Ų11467%0.6761%0.609SS**THydrogen-bonded Turntrans63.816.8177.700000114.3H274 R275 K276 L280H274-G278 PolarHBondContact O-N 2.88Å; R275-G278 PolarHBondContact O-N 3.11Å; K276-G278 VanDerWaalsContact C-N 3.27Å; K276-G278 PolarHBondContact O-N 3.33Å; G278-L280 VanDerWaalsContact C-N 3.31Å
279A61.9Low63.7Low66 Ų66113.9 Ų113.955%0.54561%0.605SS.*  trans-88.33-174.900000113.3H274 Y277H274-A279 PolarHBondContact O-N 3.05Å; H274-A279 VanDerWaalsContact O-N 3.14Å; Y277-A279 PolarHBondContact O-N 3.12Å; Y277-A279 VanDerWaalsContact O-N 3.14Å
280L55.6Low62.5Low68 Ų68115.3 Ų115.336%0.35662%0.618SS.*SBendtrans-100.9123.2178.3-147.972.6000109.2Y271 G278 D282Y271-L280 HydrophobicContact CD1-CD2 3.97Å; Y271-L280 HydrophobicContact CE1-CD2 3.74Å; G278-L280 VanDerWaalsContact C-N 3.31Å; L280-D282 PolarHBondContact O-N 3.17Å
281P59.1Low61.4Low114 Ų114117.4 Ų117.474%0.7463%0.633SS**  trans-63.7121.4178.524.9-31.7000109.3Q283P281-Q283 PolarHBondContact O-N 3.2Å
282D50Low60.5Low148 Ų148116.7 Ų116.779%0.79163%0.634SS**SBendtrans-65.6-26.6-173.6-16820.2000112L280L280-D282 PolarHBondContact O-N 3.17Å
283Q47.8Very low59.3Low167 Ų167118.5 Ų118.578%0.7864%0.64SS**SBendtrans-151.1128.3-176.7-75.2168.622.100112.2P281P281-Q283 PolarHBondContact O-N 3.2Å
284G45.9Very low58.7Low76 Ų76123.6 Ų123.678%0.78466%0.656SS**  trans62.9125.8146.400000119.5A286G284-A286 PolarHBondContact O-N 3.33Å; G284-A286 VanDerWaalsContact O-N 3.11Å
285I46.1Very low58.3Low169 Ų169127.7 Ų127.787%0.86767%0.673SS**  trans-31.7112.1169.9-58161.2000111.9K287I285-K287 PolarHBondContact O-N 3.27Å
286A47.6Very low58Low91 Ų91122.4 Ų122.475%0.75266%0.664SS**  trans-65.6121.8172.600000109.2G284 A288G284-A286 PolarHBondContact O-N 3.33Å; G284-A286 VanDerWaalsContact O-N 3.11Å; A286-A288 PolarHBondContact O-N 3.01Å
287K53Low57.7Low204 Ų204115.9 Ų115.989%0.88764%0.644SS**  trans-69.497.1171.1-72.9-179.7177178.60108.5I285I285-K287 PolarHBondContact O-N 3.27Å
288A51Low57.4Low52 Ų52113.3 Ų113.343%0.4364%0.638SS.*  trans-61.7146.6166.400000110.1A286 F293A286-A288 PolarHBondContact O-N 3.01Å; A288-F293 HydrophobicContact CB-CD2 4.39Å; A288-F293 HydrophobicContact CB-CE2 3.76Å; A288-F293 HydrophobicContact CB-CZ 4.46Å
289T59.6Low57.4Low76 Ų76116.6 Ų116.647%0.46664%0.636SS.*  trans-79.1149-173.7530000111.4E291 E292T289-E291 PolarHBondContact O-N 3.43Å; T289-E292 PolarHBondContact N-OE2 3.49Å; T289-E292 PolarHBondContact O-N 3.23Å; T289-E292 PolarHBondContact OG1-OE2 2.97Å
290P57.5Low57.5Low106 Ų106119 Ų11969%0.68864%0.637SS**Hα-helixtrans-58.2-22-177.2-26.835.2000115.5R294P290-R294 PolarHBondContact O-N 3.18Å
291E56.3Low58.1Low155 Ų155121.9 Ų121.972%0.72465%0.648SS**Hα-helixtrans-74.4-32.5176-74.8-157.3155.800113.4T289 F293 R294 K295T289-E291 PolarHBondContact O-N 3.43Å; E291-F293 VanDerWaalsContact C-N 3.34Å; E291-R294 PolarHBondContact O-N 3.26Å; E291-K295 PolarHBondContact O-N 3.27Å
292E57.7Low58.4Low117 Ų117122.5 Ų122.555%0.54764%0.641SS.*Hα-helixtrans-69.2-36.4178.2-69.6168.3139.900110.9T289 A296T289-E292 PolarHBondContact N-OE2 3.49Å; T289-E292 PolarHBondContact O-N 3.23Å; T289-E292 PolarHBondContact OG1-OE2 2.97Å; E292-A296 WeakPolarHBondContact O-CB 3.37Å; E292-A296 PolarHBondContact O-N 3.48Å; E292-A296 VanDerWaalsContact O-N 3.16Å
293F55.5Low59.1Low141 Ų141121.6 Ų121.662%0.61863%0.632SS**Hα-helixtrans-66-38.7173.4-82.4-77.6000113A288 E291 A296 A297A288-F293 HydrophobicContact CB-CD2 4.39Å; A288-F293 HydrophobicContact CB-CE2 3.76Å; A288-F293 HydrophobicContact CB-CZ 4.46Å; E291-F293 VanDerWaalsContact C-N 3.34Å; F293-A296 PolarHBondContact O-N 3.47Å; F293-A297 WeakPolarHBondContact O-CB 3.44Å; F293-A297 PolarHBondContact O-N 3.46Å
294R65.6Low59.8Low197 Ų197119 Ų11974%0.74362%0.62SS**Hα-helixtrans-67.8-40.7178.9-85.3-176.8172.3178.8-2.7112.8P290 E291 A297 Q298P290-R294 PolarHBondContact O-N 3.18Å; E291-R294 PolarHBondContact O-N 3.26Å; R294-A297 PolarHBondContact O-N 3.12Å; R294-Q298 PolarHBondContact O-N 3.12Å; R294-Q298 VanDerWaalsContact O-N 3.14Å
295K64.9Low60.8Low145 Ų145122.1 Ų122.163%0.6361%0.614SS**Hα-helixtrans-66.5-38.4175.9-83.3-175.8175.4176.10112.5E291 Q299E291-K295 PolarHBondContact O-N 3.27Å; K295-Q299 WeakPolarHBondContact O-CG 3.49Å; K295-Q299 PolarHBondContact O-N 3.16Å
296A66.6Low61.6Low50 Ų50121.2 Ų121.241%0.41360%0.604SS.*Hα-helixtrans-65.4-40.3176.300000111.9E292 F293 Q299 Q300E292-A296 WeakPolarHBondContact O-CB 3.37Å; E292-A296 PolarHBondContact O-N 3.48Å; E292-A296 VanDerWaalsContact O-N 3.16Å; F293-A296 PolarHBondContact O-N 3.47Å; A296-Q299 PolarHBondContact O-N 3.26Å; A296-Q300 PolarHBondContact O-N 2.92Å; A296-Q300 VanDerWaalsContact O-N 3.12Å
297A67.9Low62.2Low47 Ų47123.3 Ų123.339%0.38860%0.598SS.*Hα-helixtrans-65.7-43.7178.100000113F293 R294 Q299 Q300 E301F293-A297 WeakPolarHBondContact O-CB 3.44Å; F293-A297 PolarHBondContact O-N 3.46Å; R294-A297 PolarHBondContact O-N 3.12Å; A297-Q299 VanDerWaalsContact C-N 3.34Å; A297-Q299 PolarHBondContact O-N 3.49Å; A297-Q300 WeakPolarHBondContact O-CB 3.45Å; A297-Q300 PolarHBondContact O-N 3.35Å; A297-Q300 VanDerWaalsContact O-N 3.16Å; A297-E301 PolarHBondContact O-N 3.2Å
298Q68.9Low62.3Low125 Ų125120.5 Ų120.558%0.58459%0.588SS**Hα-helixtrans-65.3-36.5177.3-77-179.5-34.100112.9R294 Q300 E302R294-Q298 PolarHBondContact O-N 3.12Å; R294-Q298 VanDerWaalsContact O-N 3.14Å; Q298-Q300 VanDerWaalsContact C-N 3.28Å; Q298-Q300 PolarHBondContact O-N 3.18Å; Q298-E302 PolarHBondContact O-N 3.34Å
299Q66.1Low62.7Low134 Ų134123.9 Ų123.963%0.62660%0.595SS**Hα-helixtrans-68.4-29.7174.7-76.4-179.2-700112.5K295 A296 A297 Q303K295-Q299 WeakPolarHBondContact O-CG 3.49Å; K295-Q299 PolarHBondContact O-N 3.16Å; A296-Q299 PolarHBondContact O-N 3.26Å; A297-Q299 VanDerWaalsContact C-N 3.34Å; A297-Q299 PolarHBondContact O-N 3.49Å; Q299-Q303 WeakPolarHBondContact O-CB 3.43Å; Q299-Q303 PolarHBondContact O-N 3.16Å
300Q65.4Low62.8Low118 Ų118125 Ų12555%0.55160%0.598SS**Hα-helixtrans-71.8-44.8175.5-116.3173.6-30.200111.8A296 A297 Q298 E302 Q303 E304A296-Q300 PolarHBondContact O-N 2.92Å; A296-Q300 VanDerWaalsContact O-N 3.12Å; A297-Q300 WeakPolarHBondContact O-CB 3.45Å; A297-Q300 PolarHBondContact O-N 3.35Å; A297-Q300 VanDerWaalsContact O-N 3.16Å; Q298-Q300 VanDerWaalsContact C-N 3.28Å; Q298-Q300 PolarHBondContact O-N 3.18Å; Q300-E302 PolarHBondContact O-N 2.99Å; Q300-Q303 PolarHBondContact O-N 2.83Å; Q300-Q303 VanDerWaalsContact O-N 3.12Å; Q300-E304 WeakPolarHBondContact O-CG 3.35Å; Q300-E304 PolarHBondContact O-N 3.05Å
301E67.6Low63.2Low128 Ų128125 Ų12560%0.59859%0.593SS**Hα-helixtrans-60.6-44.8176.7-78.2176162.800112.1A297 Q303 E304 E305A297-E301 PolarHBondContact O-N 3.2Å; E301-Q303 PolarHBondContact O-N 3.35Å; E301-E304 PolarHBondContact O-N 3.21Å; E301-E305 PolarHBondContact O-N 3.48Å
302E66.2Low63.8Low126 Ų126124.6 Ų124.659%0.58959%0.59SS**Hα-helixtrans-65.5-23.2176.3-77.1-176.8174.900113.5Q298 Q300Q298-E302 PolarHBondContact O-N 3.34Å; Q300-E302 PolarHBondContact O-N 2.99Å
303Q64.3Low64.5Low130 Ų130124 Ų12461%0.60759%0.588SS**Hα-helixtrans-84.8-38.5179-149.2165.918.400111Q299 Q300 E301 K306 E307Q299-Q303 WeakPolarHBondContact O-CB 3.43Å; Q299-Q303 PolarHBondContact O-N 3.16Å; Q300-Q303 PolarHBondContact O-N 2.83Å; Q300-Q303 VanDerWaalsContact O-N 3.12Å; E301-Q303 PolarHBondContact O-N 3.35Å; Q303-K306 PolarHBondContact O-N 2.84Å; Q303-E307 PolarHBondContact O-N 3.48Å; Q303-E307 VanDerWaalsContact O-N 3.14Å
304E62.4Low65.3Low113 Ų113120.5 Ų120.553%0.52858%0.578SS.*Hα-helixtrans-65.3-43.6173.2-73.4177.5-178.600111.4Q300 E301 K306 E307 E308Q300-E304 WeakPolarHBondContact O-CG 3.35Å; Q300-E304 PolarHBondContact O-N 3.05Å; E301-E304 PolarHBondContact O-N 3.21Å; E304-K306 VanDerWaalsContact C-N 3.31Å; E304-K306 PolarHBondContact O-N 3.06Å; E304-E307 PolarHBondContact O-N 3.44Å; E304-E308 PolarHBondContact O-N 3.06Å
305E66.1Low65.7Low141 Ų141115.9 Ų115.966%0.65957%0.567SS**Hα-helixtrans-59.8-38.8175.7-93.4-174157.900112.6E301 E308 E309E301-E305 PolarHBondContact O-N 3.48Å; E305-E308 PolarHBondContact O-N 3.18Å; E305-E309 WeakPolarHBondContact O-CB 3.5Å; E305-E309 PolarHBondContact O-N 3.14Å
306K62.8Low66.3Low149 Ų149113.9 Ų113.965%0.64856%0.56SS**Hα-helixtrans-70.7-34.7177.2-82.4178.5-179.2165.30113.3Q303 E304 D310Q303-K306 PolarHBondContact O-N 2.84Å; E304-K306 VanDerWaalsContact C-N 3.31Å; E304-K306 PolarHBondContact O-N 3.06Å; K306-D310 PolarHBondContact O-N 3.16Å
307E60Low67Low135 Ų135118.2 Ų118.263%0.63157%0.566SS**Hα-helixtrans-69.8-40174.5-78.5-176.7167.100110.9Q303 E304 D311Q303-E307 PolarHBondContact O-N 3.48Å; Q303-E307 VanDerWaalsContact O-N 3.14Å; E304-E307 PolarHBondContact O-N 3.44Å; E307-D311 WeakPolarHBondContact O-CB 3.41Å; E307-D311 PolarHBondContact O-N 3.08Å
308E55.9Low67.6Low146 Ų146118.7 Ų118.768%0.68257%0.57SS**Hα-helixtrans-64.6-40.3175.2-73.4-163.316500112.8E304 E305 D311 E312E304-E308 PolarHBondContact O-N 3.06Å; E305-E308 PolarHBondContact O-N 3.18Å; E308-D311 PolarHBondContact O-N 3.06Å; E308-E312 PolarHBondContact O-N 3.36Å
309E59.5Low68.3Low122 Ų122120.9 Ų120.957%0.5757%0.573SS**Hα-helixtrans-69-36.3-179.8-155.6178.4-154.700112.3E305 Q313E305-E309 WeakPolarHBondContact O-CB 3.5Å; E305-E309 PolarHBondContact O-N 3.14Å; E309-Q313 WeakPolarHBondContact O-CG 3.22Å; E309-Q313 PolarHBondContact O-N 3.39Å; E309-Q313 VanDerWaalsContact O-N 3.16Å
310D60.8Low69.3Low99 Ų99119.6 Ų119.653%0.52957%0.567SS.*Hα-helixtrans-70.3-36.4174.6-152.525000110.9K306 T314K306-D310 PolarHBondContact O-N 3.16Å; D310-T314 WeakPolarHBondContact O-CB 3.02Å; D310-T314 PolarHBondContact O-N 3.06Å; D310-T314 PolarHBondContact O-OG1 3.14Å
311D65.8Low69.9Low108 Ų108121.2 Ų121.258%0.57857%0.568SS**Hα-helixtrans-66.4-40.7173.6-91.7-9.1000112.3E307 E308 T314 L315E307-D311 WeakPolarHBondContact O-CB 3.41Å; E307-D311 PolarHBondContact O-N 3.08Å; E308-D311 PolarHBondContact O-N 3.06Å; D311-T314 PolarHBondContact O-N 3.39Å; D311-L315 WeakPolarHBondContact O-CG 3.18Å; D311-L315 PolarHBondContact O-N 2.91Å
312E69.9Low70.8Confident145 Ų145119 Ų11968%0.67856%0.56SS**Hα-helixtrans-67.2-41.2178.7-163.4171-155.200112.2E308 T314 L315 H316E308-E312 PolarHBondContact O-N 3.36Å; E312-T314 VanDerWaalsContact C-N 3.27Å; E312-T314 PolarHBondContact O-N 3.43Å; E312-L315 PolarHBondContact O-N 2.91Å; E312-H316 PolarHBondContact O-N 3.47Å
313Q73.2Confident71.7Confident106 Ų106118.3 Ų118.350%0.49556%0.56SS.*Hα-helixtrans-64.4-33173.2-73-178.430.600112.6E309 R317E309-Q313 WeakPolarHBondContact O-CG 3.22Å; E309-Q313 PolarHBondContact O-N 3.39Å; E309-Q313 VanDerWaalsContact O-N 3.16Å; Q313-R317 WeakPolarHBondContact O-CG 3.36Å; Q313-R317 PolarHBondContact O-N 3.01Å; Q313-R317 VanDerWaalsContact O-N 3.15Å; Q313-R317 PolarHBondContact O-NE 3.14Å
314T72.1Confident72.7Confident66 Ų66117.7 Ų117.741%0.40555%0.553SS.*Hα-helixtrans-72.2-39.7178.1-540000110.8D310 D311 E312 A318D310-T314 WeakPolarHBondContact O-CB 3.02Å; D310-T314 PolarHBondContact O-N 3.06Å; D310-T314 PolarHBondContact O-OG1 3.14Å; D311-T314 PolarHBondContact O-N 3.39Å; E312-T314 VanDerWaalsContact C-N 3.27Å; E312-T314 PolarHBondContact O-N 3.43Å; T314-A318 WeakPolarHBondContact O-CB 3.47Å; T314-A318 PolarHBondContact O-N 3.45Å
315L72.8Confident73.7Confident100 Ų100116.5 Ų116.552%0.52455%0.546SS..Hα-helixtrans-65.3-39.9172.5-71.7172000112.6D311 E312 A318 R319D311-L315 WeakPolarHBondContact O-CG 3.18Å; D311-L315 PolarHBondContact O-N 2.91Å; E312-L315 PolarHBondContact O-N 2.91Å; L315-A318 PolarHBondContact O-N 3.08Å; L315-R319 WeakPolarHBondContact O-CG 3.13Å; L315-R319 PolarHBondContact O-N 3.26Å
316H78.1Confident74.5Confident103 Ų103115.8 Ų115.848%0.47755%0.546SS..Hα-helixtrans-62.3-48.6177.1-166.5-84.6000111.7E312 A318 R319 E320E312-H316 PolarHBondContact O-N 3.47Å; H316-A318 VanDerWaalsContact C-N 3.28Å; H316-A318 PolarHBondContact O-N 3.45Å; H316-R319 PolarHBondContact O-N 3.22Å; H316-R319 VanDerWaalsContact O-N 3.15Å; H316-E320 VanDerWaalsContact CE1-CD 3.43Å; H316-E320 IonicContact CE1-OE1 3.43Å; H316-E320 PolarHBondContact CE1-OE1 3.1Å; H316-E320 VanDerWaalsContact ND1-CD 3.33Å; H316-E320 IonicContact ND1-OE1 2.65Å; H316-E320 PolarHBondContact ND1-OE1 3.4Å; H316-E320 IonicContact ND1-OE2 3.1Å; H316-E320 WeakPolarHBondContact O-CG 3.43Å; H316-E320 PolarHBondContact O-N 3.26Å
317R80.9Confident75.4Confident142 Ų142113.1 Ų113.154%0.53654%0.543SS..Hα-helixtrans-60.7-37176.1-76-177.6-73.1170.5-4.7112.5Q313 W321Q313-R317 WeakPolarHBondContact O-CG 3.36Å; Q313-R317 PolarHBondContact O-N 3.01Å; Q313-R317 VanDerWaalsContact O-N 3.15Å; Q313-R317 PolarHBondContact O-NE 3.14Å; R317-W321 VanDerWaalsContact O-CB 3.3Å; R317-W321 WeakPolarHBondContact O-CB 3.48Å; R317-W321 PolarHBondContact O-N 2.85Å
318A80.3Confident76.4Confident57 Ų57111 Ų11147%0.47153%0.533SS..Hα-helixtrans-66.2-39.1176.500000112.2T314 L315 H316 W321 D322T314-A318 WeakPolarHBondContact O-CB 3.47Å; T314-A318 PolarHBondContact O-N 3.45Å; L315-A318 PolarHBondContact O-N 3.08Å; H316-A318 VanDerWaalsContact C-N 3.28Å; H316-A318 PolarHBondContact O-N 3.45Å; A318-W321 PolarHBondContact O-N 3.3Å; A318-D322 PolarHBondContact O-N 3.14Å; A318-D322 VanDerWaalsContact O-N 3.1Å
319R85.3Confident77.4Confident170 Ų170107.5 Ų107.564%0.64252%0.522SS*.Hα-helixtrans-66.7-47.1175.5-70.6174-175.4169.34.7111.9L315 H316 W321 D322 D323L315-R319 WeakPolarHBondContact O-CG 3.13Å; L315-R319 PolarHBondContact O-N 3.26Å; H316-R319 PolarHBondContact O-N 3.22Å; H316-R319 VanDerWaalsContact O-N 3.15Å; R319-W321 PolarHBondContact O-N 3.02Å; R319-D322 WeakPolarHBondContact O-CA 3.07Å; R319-D322 WeakPolarHBondContact O-CB 3.47Å; R319-D322 PolarHBondContact O-N 3.44Å; R319-D323 PolarHBondContact O-N 3.05Å
320E86.8Confident77.9Confident108 Ų108114 Ų11451%0.50554%0.542SS..Hα-helixtrans-59.7-37.6176.3-70.5179.4141.800112.1H316 D322 W324H316-E320 VanDerWaalsContact CE1-CD 3.43Å; H316-E320 IonicContact CE1-OE1 3.43Å; H316-E320 PolarHBondContact CE1-OE1 3.1Å; H316-E320 VanDerWaalsContact ND1-CD 3.33Å; H316-E320 IonicContact ND1-OE1 2.65Å; H316-E320 PolarHBondContact ND1-OE1 3.4Å; H316-E320 IonicContact ND1-OE2 3.1Å; H316-E320 WeakPolarHBondContact O-CG 3.43Å; H316-E320 PolarHBondContact O-N 3.26Å; E320-D322 VanDerWaalsContact C-N 3.31Å; E320-W324 WeakPolarHBondContact O-CB 3.39Å; E320-W324 PolarHBondContact O-N 3.17Å
321W77.6Confident78.2Confident152 Ų152111.6 Ų111.658%0.57654%0.54SS*.Hα-helixtrans-68.4-30.7175.4-174.2-117.1000112.8R317 A318 R319 W324 K325R317-W321 VanDerWaalsContact O-CB 3.3Å; R317-W321 WeakPolarHBondContact O-CB 3.48Å; R317-W321 PolarHBondContact O-N 2.85Å; A318-W321 PolarHBondContact O-N 3.3Å; R319-W321 PolarHBondContact O-N 3.02Å; W321-W324 AromaticContact CE3-CE3 3.98Å; W321-W324 HydrophobicContact CE3-CE3 3.98Å; W321-W324 AromaticContact CH2-CE3 3.78Å; W321-W324 HydrophobicContact CH2-CE3 3.78Å; W321-W324 HydrophobicContact CH2-CH2 4.31Å; W321-W324 AromaticContact CH2-CZ3 3.55Å; W321-W324 HydrophobicContact CH2-CZ3 3.55Å; W321-W324 HydrophobicContact CZ2-CE3 4.35Å; W321-W324 HydrophobicContact CZ2-CZ3 4.14Å; W321-W324 HydrophobicContact CZ3-CD2 4.14Å; W321-W324 AromaticContact CZ3-CE3 3.57Å; W321-W324 HydrophobicContact CZ3-CE3 3.57Å; W321-W324 AromaticContact CZ3-CZ3 3.81Å; W321-W324 HydrophobicContact CZ3-CZ3 3.81Å; W321-K325 WeakPolarHBondContact O-CE 3.45Å; W321-K325 WeakPolarHBondContact O-CG 3.1Å; W321-K325 PolarHBondContact O-N 2.99Å
322D85.6Confident78.2Confident82 Ų82114.3 Ų114.344%0.43954%0.543SS..Hα-helixtrans-71.8-49.1175.3-137.838.7000111.5A318 R319 E320 W324 K325 D326A318-D322 PolarHBondContact O-N 3.14Å; A318-D322 VanDerWaalsContact O-N 3.1Å; R319-D322 WeakPolarHBondContact O-CA 3.07Å; R319-D322 WeakPolarHBondContact O-CB 3.47Å; R319-D322 PolarHBondContact O-N 3.44Å; E320-D322 VanDerWaalsContact C-N 3.31Å; D322-W324 PolarHBondContact O-N 3.31Å; D322-K325 WeakPolarHBondContact O-CB 3.48Å; D322-K325 PolarHBondContact O-N 2.93Å; D322-K325 VanDerWaalsContact OD1-CE 3.31Å; D322-K325 WeakPolarHBondContact OD1-CE 3.3Å; D322-K325 IonicContact OD1-NZ 2.88Å; D322-K325 PolarHBondContact OD1-NZ 3.15Å; D322-D326 PolarHBondContact O-N 3.39Å; D322-D326 VanDerWaalsContact O-N 3.07Å
323D86.3Confident78.1Confident110 Ų110111.3 Ų111.359%0.58855%0.552SS**Hα-helixtrans-57.1-37.6175.4-73.1-13.3000112.1R319 T327R319-D323 PolarHBondContact O-N 3.05Å; D323-T327 PolarHBondContact O-N 2.94Å; D323-T327 PolarHBondContact O-OG1 3.37Å; D323-T327 VanDerWaalsContact O-OG1 3.11Å
324W85.2Confident77.5Confident118 Ų118111.6 Ų111.645%0.44756%0.556SS.*Hα-helixtrans-66.9-39.9175.4-178.382.3000112.5E320 W321 D322 D326 T327 H328E320-W324 WeakPolarHBondContact O-CB 3.39Å; E320-W324 PolarHBondContact O-N 3.17Å; W321-W324 AromaticContact CE3-CE3 3.98Å; W321-W324 HydrophobicContact CE3-CE3 3.98Å; W321-W324 AromaticContact CH2-CE3 3.78Å; W321-W324 HydrophobicContact CH2-CE3 3.78Å; W321-W324 HydrophobicContact CH2-CH2 4.31Å; W321-W324 AromaticContact CH2-CZ3 3.55Å; W321-W324 HydrophobicContact CH2-CZ3 3.55Å; W321-W324 HydrophobicContact CZ2-CE3 4.35Å; W321-W324 HydrophobicContact CZ2-CZ3 4.14Å; W321-W324 HydrophobicContact CZ3-CD2 4.14Å; W321-W324 AromaticContact CZ3-CE3 3.57Å; W321-W324 HydrophobicContact CZ3-CE3 3.57Å; W321-W324 AromaticContact CZ3-CZ3 3.81Å; W321-W324 HydrophobicContact CZ3-CZ3 3.81Å; D322-W324 PolarHBondContact O-N 3.31Å; W324-D326 VanDerWaalsContact C-N 3.34Å; W324-D326 PolarHBondContact O-N 2.63Å; W324-T327 PolarHBondContact O-N 3.17Å; W324-T327 PolarHBondContact O-OG1 3.41Å; W324-H328 AromaticContact CD1-CE1 3.62Å; W324-H328 AromaticContact CD1-ND1 3.53Å; W324-H328 HydrophobicContact CD2-CB 4.48Å; W324-H328 AromaticContact CE2-CG 3.77Å; W324-H328 AromaticContact CE2-ND1 3.72Å; W324-H328 AromaticContact CG-ND1 3.97Å; W324-H328 HydrophobicContact CH2-CB 4.34Å; W324-H328 HydrophobicContact CZ2-CB 4.09Å; W324-H328 AromaticContact CZ2-CG 3.96Å; W324-H328 AromaticContact NE1-CE1 3.37Å; W324-H328 PolarHBondContact NE1-CE1 2.91Å; W324-H328 AromaticContact NE1-CG 3.77Å; W324-H328 AromaticContact NE1-ND1 3.35Å; W324-H328 PolarHBondContact NE1-ND1 3Å; W324-H328 AromaticContact NE1-NE2 3.76Å; W324-H328 WeakPolarHBondContact O-CB 3.5Å; W324-H328 PolarHBondContact O-N 3.28Å; W324-H328 PolarHBondContact O-ND1 3.22Å
325K82.8Confident76.9Confident88 Ų88117.4 Ų117.438%0.38357%0.571SS.*Hα-helixtrans-67.3-34.3177.5-75.6177-70.21540112.3W321 D322 T327 H328W321-K325 WeakPolarHBondContact O-CE 3.45Å; W321-K325 WeakPolarHBondContact O-CG 3.1Å; W321-K325 PolarHBondContact O-N 2.99Å; D322-K325 WeakPolarHBondContact O-CB 3.48Å; D322-K325 PolarHBondContact O-N 2.93Å; D322-K325 VanDerWaalsContact OD1-CE 3.31Å; D322-K325 WeakPolarHBondContact OD1-CE 3.3Å; D322-K325 IonicContact OD1-NZ 2.88Å; D322-K325 PolarHBondContact OD1-NZ 3.15Å; K325-T327 VanDerWaalsContact C-N 3.33Å; K325-H328 CarbonylContact O-C 3.26Å; K325-H328 VanDerWaalsContact O-C 3.26Å; K325-H328 PolarHBondContact O-N 3.16Å
326D82.6Confident76.1Confident125 Ų125121.8 Ų121.867%0.66859%0.589SS**Hα-helixtrans-66.3-35.9177.1-80.9-7000112.2D322 W324D322-D326 PolarHBondContact O-N 3.39Å; D322-D326 VanDerWaalsContact O-N 3.07Å; W324-D326 VanDerWaalsContact C-N 3.34Å; W324-D326 PolarHBondContact O-N 2.63Å
327T82.6Confident75.1Confident94 Ų94122.4 Ų122.458%0.57760%0.596SS**Hα-helixtrans-82.7-15.317552.60000113.6D323 W324 K325 P329D323-T327 PolarHBondContact O-N 2.94Å; D323-T327 PolarHBondContact O-OG1 3.37Å; D323-T327 VanDerWaalsContact O-OG1 3.11Å; W324-T327 PolarHBondContact O-N 3.17Å; W324-T327 PolarHBondContact O-OG1 3.41Å; K325-T327 VanDerWaalsContact C-N 3.33Å; T327-P329 WeakPolarHBondContact O-CD 3.29Å
328H81.1Confident73.6Confident91 Ų91123.9 Ų123.942%0.42161%0.611SS.*SBendtrans-126.471.4-179.5-59.576.3000112.3W324 K325W324-H328 AromaticContact CD1-CE1 3.62Å; W324-H328 AromaticContact CD1-ND1 3.53Å; W324-H328 HydrophobicContact CD2-CB 4.48Å; W324-H328 AromaticContact CE2-CG 3.77Å; W324-H328 AromaticContact CE2-ND1 3.72Å; W324-H328 AromaticContact CG-ND1 3.97Å; W324-H328 HydrophobicContact CH2-CB 4.34Å; W324-H328 HydrophobicContact CZ2-CB 4.09Å; W324-H328 AromaticContact CZ2-CG 3.96Å; W324-H328 AromaticContact NE1-CE1 3.37Å; W324-H328 PolarHBondContact NE1-CE1 2.91Å; W324-H328 AromaticContact NE1-CG 3.77Å; W324-H328 AromaticContact NE1-ND1 3.35Å; W324-H328 PolarHBondContact NE1-ND1 3Å; W324-H328 AromaticContact NE1-NE2 3.76Å; W324-H328 WeakPolarHBondContact O-CB 3.5Å; W324-H328 PolarHBondContact O-N 3.28Å; W324-H328 PolarHBondContact O-ND1 3.22Å; K325-H328 CarbonylContact O-C 3.26Å; K325-H328 VanDerWaalsContact O-C 3.26Å; K325-H328 PolarHBondContact O-N 3.16Å
329P76.3Confident72.4Confident71 Ų71128.1 Ų128.146%0.46166%0.66SS.*  trans-56.6141.4178.7-21.730.7000112T327 G331 Y332T327-P329 WeakPolarHBondContact O-CD 3.29Å; P329-G331 PolarHBondContact O-N 3.28Å; P329-G331 VanDerWaalsContact O-N 3.08Å; P329-Y332 WeakPolarHBondContact O-CB 3.45Å; P329-Y332 PolarHBondContact O-N 3.11Å
330R69.1Low71.8Confident260 Ų260126 Ų12698%0.98166%0.661SS**THydrogen-bonded Turntrans-55120.1173.5-72.3-176.8175.5-125.50.2109.5
331G68Low71Confident48 Ų48126.9 Ų126.950%0.49567%0.669SS.*THydrogen-bonded Turntrans96.46.2-179.800000115.7P329 G333 N334P329-G331 PolarHBondContact O-N 3.28Å; P329-G331 VanDerWaalsContact O-N 3.08Å; G331-G333 PolarHBondContact O-N 3.28Å; G331-N334 PolarHBondContact O-N 2.93Å
332Y66.9Low70.6Confident164 Ų164125.6 Ų125.664%0.64367%0.674SS**THydrogen-bonded Turntrans-52.7-27.3177.2-169.8-103.1000113.7P329P329-Y332 WeakPolarHBondContact O-CB 3.45Å; P329-Y332 PolarHBondContact O-N 3.11Å
333G66.3Low69.7Low83 Ų83128.1 Ų128.186%0.85669%0.688SS**THydrogen-bonded Turntrans-91.7-6.3176.700000116.9G331G331-G333 PolarHBondContact O-N 3.28Å
334N60.2Low68.7Low111 Ų111129.3 Ų129.359%0.59469%0.694SS**  trans-126.454.3-173.6-164.729.9000112.3G331G331-N334 PolarHBondContact O-N 2.93Å
335R59.6Low67.6Low188 Ų188130 Ų13071%0.70971%0.711SS**  trans-99.9-2.3-179.4-58.8-17985.2161.55.3114.3
336Q57.6Low66.5Low193 Ų193133 Ų13390%0.90273%0.734SS**SBendtrans-108.83.8-176.1-70.6-79-42.200113.3
337N55.7Low65.3Low115 Ų115133.6 Ų133.662%0.61574%0.739SS**  trans-118.267.7172.9-159.733.1000108.7
338M50.3Low63.8Low173 Ų173136.9 Ų136.985%0.85275%0.753SS**  trans-88.8115.4158.9-63.4-66.8-108.200104.3
339G54.7Low62.2Low146 Ų146141.1 Ų141.1100%1.50578%0.783SS**  trans-60.80-170.800000115.8

Retrieved 339 of 339 residues in 1964.4 ms (Link to these results)

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