A0A060WJT9_ONCMY Loading...

Isoamyl acetate-hydrolyzing esterase 1 homolog

Probable lipase.

AlphaFold DB , UniProt , Accession A0A060WJT9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene iah1, Length 241 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
1M52.8Low80.7Confident240 Ų240113.3 Ų113.3100%1.18257%0.566SS**  0117.30-59.3178.2-153.600106.4
2S57.3Low82.1Confident106 Ų106103.8 Ų103.874%0.74152%0.519SS*.  trans-59.9140.6170.962.10000107.6I4S2-I4 PolarHBondContact O-N 3.08Å; S2-I4 VanDerWaalsContact O-N 3.08Å
3K68.6Low83.4Confident198 Ų19896.5 Ų96.586%0.86148%0.482SS*.  trans-66113176.3-76.7-178.4175.8-179.30107.2K5K3-K5 PolarHBondContact O-N 3.15Å
4I79.6Confident84.5Confident131 Ų13189.6 Ų89.667%0.67245%0.448SS*.PPolyproline II helixtrans-54.4121.1167.8-62.1172.3000106.7S2S2-I4 PolarHBondContact O-N 3.08Å; S2-I4 VanDerWaalsContact O-N 3.08Å
5K79.8Confident85.4Confident139 Ų13983.6 Ų83.660%0.60442%0.418SS*.PPolyproline II helixtrans-87135.3173.6-69.6-170.9-168.1162.30108.9K3 D241K3-K5 PolarHBondContact O-N 3.15Å; K5-D241 VanDerWaalsContact CD-OD1 3.24Å; K5-D241 WeakPolarHBondContact CD-OD1 3.43Å; K5-D241 VanDerWaalsContact CE-OD1 3.27Å; K5-D241 WeakPolarHBondContact CE-OD1 3.46Å; K5-D241 IonicContact NZ-OD1 3.29Å; K5-D241 PolarHBondContact NZ-OD1 3.17Å; K5-D241 IonicContact NZ-OD2 3.67Å; K5-D241 PolarHBondContact NZ-OD2 3.36Å
6N86.3Confident86.3Confident146 Ų14678.4 Ų78.478%0.78139%0.392SS*.PPolyproline II helixtrans-75.6137.1173.7-67.5-22.2000109.3
7I88.6Confident87Confident83 Ų8373.8 Ų73.843%0.42637%0.369SS..PPolyproline II helixtrans-75.4128.3170.7-60.4173.2000108.2I222 L223I7-I222 HydrophobicContact CD1-CG2 4.36Å; I7-I222 HydrophobicContact CG2-CG2 3.65Å; I7-L223 HydrophobicContact CD1-CD1 4.03Å; I7-L223 HydrophobicContact CD1-CD2 3.62Å; I7-L223 HydrophobicContact CD1-CG 3.79Å
8I89.4Confident87.7Confident79 Ų7969.9 Ų69.941%0.40535%0.35SS..  trans-98.6115173-54.6174.6000107.8H73I8-H73 HydrophobicContact CG2-CB 4.16Å; I8-H73 WeakPolarHBondContact CG2-ND1 3.31Å
9W92.8Very high88.3Confident72 Ų7266.5 Ų66.527%0.27333%0.333SS..  trans-81.3132.7177.2-6679.2000109.6Q11 D42 I222W9-Q11 WeakPolarHBondContact O-CG 3.36Å; W9-D42 HydrophobicContact CB-CB 4.44Å; W9-D42 WeakPolarHBondContact CB-OD2 3.46Å; W9-I222 HydrophobicContact CD2-CD1 3.71Å; W9-I222 HydrophobicContact CD2-CG2 4.44Å; W9-I222 HydrophobicContact CE3-CB 4.28Å; W9-I222 HydrophobicContact CE3-CD1 3.24Å; W9-I222 HydrophobicContact CE3-CG1 4.3Å; W9-I222 HydrophobicContact CE3-CG2 4.41Å; W9-I222 HydrophobicContact CG-CD1 4.34Å; W9-I222 HydrophobicContact CH2-CB 3.59Å; W9-I222 HydrophobicContact CH2-CD1 4.2Å; W9-I222 HydrophobicContact CH2-CG1 4.48Å; W9-I222 HydrophobicContact CH2-CG2 3.48Å; W9-I222 VanDerWaalsContact CH2-CG2 3.48Å; W9-I222 HydrophobicContact CZ2-CB 4.18Å; W9-I222 HydrophobicContact CZ2-CG2 3.54Å; W9-I222 HydrophobicContact CZ3-CB 3.65Å; W9-I222 HydrophobicContact CZ3-CD1 3.51Å; W9-I222 HydrophobicContact CZ3-CG1 4.1Å; W9-I222 HydrophobicContact CZ3-CG2 3.95Å
10P95.5Very high88.8Confident22 Ų2263.2 Ų63.214%0.14332%0.316CS..  trans-54.2151.8162.3-22.633.4000110.6C41 D42 H73 L219P10-C41 HydrophobicContact CB-CB 4.39Å; P10-C41 CarbonylContact O-C 3.52Å; P10-C41 WeakPolarHBondContact O-CA 3.48Å; P10-C41 PolarHBondContact O-SG 3.03Å; P10-D42 PolarHBondContact O-N 2.93Å; P10-H73 CarbonylContact C-O 3.56Å; P10-H73 WeakPolarHBondContact CA-O 3.33Å; P10-L219 HydrophobicContact CB-CD1 3.98Å; P10-L219 HydrophobicContact CB-CD2 4.25Å; P10-L219 HydrophobicContact CG-CD1 4.3Å; P10-L219 HydrophobicContact CG-CD2 3.96Å
11Q96.5Very high89.3Confident30 Ų3064 Ų6414%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-129.4135.9-176.5-53.8-164-54.300113.2W9 I13 C41 D42 V44 S70 H73 I74 A75 A76W9-Q11 WeakPolarHBondContact O-CG 3.36Å; Q11-I13 HydrophobicContact CB-CG1 4.35Å; Q11-C41 VanDerWaalsContact C-SG 3.59Å; Q11-D42 CarbonylContact C-O 3.57Å; Q11-D42 VanDerWaalsContact CA-O 3.31Å; Q11-D42 WeakPolarHBondContact CA-O 3.46Å; Q11-D42 HydrophobicContact CG-CB 4.25Å; Q11-V44 HydrophobicContact CB-CG2 4.46Å; Q11-V44 HydrophobicContact CG-CG2 4.48Å; Q11-S70 PolarHBondContact OE1-OG 3.48Å; Q11-H73 PolarHBondContact N-O 3.24Å; Q11-I74 CarbonylContact O-C 3.56Å; Q11-I74 WeakPolarHBondContact O-CA 3.41Å; Q11-A75 PolarHBondContact O-N 3.2Å; Q11-A76 PolarHBondContact O-N 2.87Å
12V98.3Very high91.4Very high0 Ų055.9 Ų55.90%028%0.277CS..EExtended strand (participates in β ladder)trans-102.7115.3158.4173.30000107.4L14 L37 D42 V43 V44 A75 A76 L212 V216V12-L14 HydrophobicContact CG1-CD2 3.89Å; V12-L37 HydrophobicContact CG2-CD1 3.97Å; V12-D42 PolarHBondContact N-O 3.46Å; V12-V43 HydrophobicContact CB-CG2 4.45Å; V12-V43 WeakPolarHBondContact O-CA 3.31Å; V12-V44 PolarHBondContact O-N 3.33Å; V12-A75 HydrophobicContact CG2-CB 4.45Å; V12-A76 WeakPolarHBondContact CA-O 3.32Å; V12-A76 HydrophobicContact CG1-CB 4.37Å; V12-A76 HydrophobicContact CG2-CB 4.24Å; V12-L212 HydrophobicContact CG1-CD1 4.43Å; V12-L212 HydrophobicContact CG1-CD2 4.15Å; V12-L212 HydrophobicContact CG2-CD2 4.4Å; V12-V216 HydrophobicContact CG2-CG1 4.09Å
13I98.3Very high93.4Very high8 Ų850.9 Ų50.94%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-97.6126.3-179-56.2176.1000109.5Q11 V44 R46 I64 I74 A76 V77 T78Q11-I13 HydrophobicContact CB-CG1 4.35Å; I13-V44 HydrophobicContact CG1-CB 4.4Å; I13-R46 HydrophobicContact CG2-CB 4.4Å; I13-R46 HydrophobicContact CG2-CG 3.96Å; I13-I64 HydrophobicContact CB-CD1 4.46Å; I13-I64 HydrophobicContact CD1-CD1 3.82Å; I13-I64 HydrophobicContact CD1-CG1 4.06Å; I13-I64 HydrophobicContact CD1-CG2 4.47Å; I13-I64 HydrophobicContact CG2-CD1 3.93Å; I13-I74 HydrophobicContact CD1-CD1 3.66Å; I13-I74 HydrophobicContact CD1-CG1 3.93Å; I13-I74 HydrophobicContact CD1-CG2 4.5Å; I13-A76 PolarHBondContact N-O 3.46Å; I13-V77 HydrophobicContact CB-CG1 4.39Å; I13-V77 HydrophobicContact CB-CG2 4.28Å; I13-V77 CarbonylContact O-C 3.52Å; I13-V77 WeakPolarHBondContact O-CA 3.31Å; I13-T78 PolarHBondContact O-N 3.16Å
14L98.8Very high94.8Very high0 Ų045.6 Ų45.60%022%0.219CC..EExtended strand (participates in β ladder)trans-98.999.1176.4-48-175.6000109.4V12 T20 F24 W29 V43 V44 R46 T78V12-L14 HydrophobicContact CG1-CD2 3.89Å; L14-T20 HydrophobicContact CB-CG2 3.72Å; L14-T20 VanDerWaalsContact O-CG2 3.3Å; L14-T20 WeakPolarHBondContact O-CG2 3.4Å; L14-F24 HydrophobicContact CD1-CE2 3.8Å; L14-W29 HydrophobicContact CB-CH2 3.99Å; L14-W29 HydrophobicContact CD1-CE3 4.3Å; L14-W29 HydrophobicContact CD1-CH2 3.72Å; L14-W29 HydrophobicContact CD1-CZ2 4.46Å; L14-W29 HydrophobicContact CD1-CZ3 3.62Å; L14-W29 HydrophobicContact CD2-CH2 3.86Å; L14-W29 HydrophobicContact CD2-CZ3 3.63Å; L14-W29 HydrophobicContact CG-CH2 4.06Å; L14-W29 HydrophobicContact CG-CZ3 4.11Å; L14-V43 HydrophobicContact CD1-CG1 3.69Å; L14-V43 HydrophobicContact CD2-CG1 4.24Å; L14-V43 HydrophobicContact CG-CG1 3.86Å; L14-V44 PolarHBondContact N-O 3.28Å; L14-R46 CarbonylContact O-C 2.98Å; L14-R46 VanDerWaalsContact O-CA 3.29Å; L14-R46 WeakPolarHBondContact O-CA 3.31Å; L14-R46 WeakPolarHBondContact O-CB 3.28Å; L14-R46 PolarHBondContact O-N 3.22Å; L14-T78 WeakPolarHBondContact CA-OG1 3.38Å; L14-T78 HydrophobicContact CD2-CG2 3.95Å
15F98.8Very high95.6Very high0 Ų044.5 Ų44.50%021%0.211CC..EExtended strand (participates in β ladder)trans-105.6124.6-178.9-175.7-131.5000111R46 L48 A56 V59 L60 L63 V77 T78 V79 F80 F81 I109F15-R46 HydrophobicContact CD2-CB 4.06Å; F15-R46 WeakPolarHBondContact CD2-O 3.48Å; F15-L48 HydrophobicContact CE2-CD1 4.46Å; F15-A56 HydrophobicContact CE1-CB 4.06Å; F15-A56 HydrophobicContact CZ-CB 3.74Å; F15-V59 HydrophobicContact CE2-CG1 4.44Å; F15-V59 HydrophobicContact CZ-CG1 4.39Å; F15-L60 HydrophobicContact CD1-CD1 4.08Å; F15-L60 HydrophobicContact CE1-CB 4.27Å; F15-L60 HydrophobicContact CE1-CD1 3.82Å; F15-L60 HydrophobicContact CE1-CD2 4.49Å; F15-L60 HydrophobicContact CE1-CG 4.42Å; F15-L60 HydrophobicContact CZ-CB 4.18Å; F15-L60 HydrophobicContact CZ-CD1 4.16Å; F15-L63 HydrophobicContact CD2-CD1 4.2Å; F15-L63 HydrophobicContact CE2-CD1 3.66Å; F15-V77 HydrophobicContact CB-CG1 4.38Å; F15-T78 WeakPolarHBondContact CA-O 3.4Å; F15-T78 WeakPolarHBondContact CB-O 3.24Å; F15-T78 PolarHBondContact N-O 2.83Å; F15-V79 WeakPolarHBondContact O-CA 3.49Å; F15-F80 PolarHBondContact O-N 3.08Å; F15-F81 AromaticContact CD1-CE2 3.74Å; F15-F81 HydrophobicContact CD1-CE2 3.74Å; F15-F81 HydrophobicContact CD1-CZ 4.43Å; F15-F81 HydrophobicContact CD2-CE2 4.36Å; F15-F81 HydrophobicContact CD2-CZ 4.32Å; F15-F81 AromaticContact CE1-CE2 3.59Å; F15-F81 HydrophobicContact CE1-CE2 3.59Å; F15-F81 HydrophobicContact CE1-CZ 4.12Å; F15-F81 HydrophobicContact CE2-CE2 4.22Å; F15-F81 AromaticContact CE2-CZ 3.98Å; F15-F81 HydrophobicContact CE2-CZ 3.98Å; F15-F81 HydrophobicContact CG-CE2 4.13Å; F15-F81 AromaticContact CZ-CE2 3.85Å; F15-F81 HydrophobicContact CZ-CE2 3.85Å; F15-F81 AromaticContact CZ-CZ 3.88Å; F15-F81 HydrophobicContact CZ-CZ 3.88Å; F15-I109 HydrophobicContact CE1-CD1 4.37Å
16G98.9Very high96.3Very high0 Ų043.8 Ų43.80%022%0.221CC..EExtended strand (participates in β ladder)trans178.5-161.5-176.400000114.1R46 G47 L48 F80 F81G16-R46 PolarHBondContact N-O 3.31Å; G16-G47 CarbonylContact O-C 3.58Å; G16-G47 VanDerWaalsContact O-CA 3.32Å; G16-G47 WeakPolarHBondContact O-CA 3.32Å; G16-L48 PolarHBondContact O-N 3.09Å; G16-F80 WeakPolarHBondContact CA-O 3.46Å; G16-F81 WeakPolarHBondContact O-CZ 3.27Å
17D98.8Very high96.6Very high1 Ų140.1 Ų40.11%0.00520%0.202CC..SBendtrans-95.2-144.9-179.56430000113.4I19 T20 Q21 G47 L48 F80 F81 N84D17-I19 VanDerWaalsContact C-N 3.29Å; D17-I19 PolarHBondContact O-N 3.05Å; D17-I19 PolarHBondContact OD1-N 3.27Å; D17-T20 PolarHBondContact O-N 2.66Å; D17-Q21 PolarHBondContact O-N 2.73Å; D17-G47 WeakPolarHBondContact O-CA 3.29Å; D17-L48 CarbonylContact C-O 3.51Å; D17-L48 VanDerWaalsContact CA-O 3.31Å; D17-L48 WeakPolarHBondContact CA-O 3.3Å; D17-L48 PolarHBondContact O-N 3.4Å; D17-F80 PolarHBondContact N-O 3.49Å; D17-F81 HydrophobicContact CB-CD1 4.15Å; D17-F81 HydrophobicContact CB-CE1 4.2Å; D17-N84 WeakPolarHBondContact CB-ND2 3.37Å; D17-N84 PolarHBondContact OD2-ND2 3.3Å
18S98.8Very high97.1Very high4 Ų436.2 Ų36.23%0.02818%0.182CC..Hα-helixtrans-62.3-34.1178.4490000112.6T20 Q21 F22 H195S18-T20 PolarHBondContact O-N 2.97Å; S18-Q21 PolarHBondContact O-N 3.34Å; S18-Q21 VanDerWaalsContact O-N 3.15Å; S18-F22 WeakPolarHBondContact O-CB 3.3Å; S18-F22 WeakPolarHBondContact O-CD2 3.4Å; S18-F22 VanDerWaalsContact O-CG 3.3Å; S18-F22 WeakPolarHBondContact O-CG 3.46Å; S18-F22 PolarHBondContact O-N 3.08Å; S18-H195 WeakPolarHBondContact CB-NE2 3.37Å; S18-H195 PolarHBondContact OG-CD2 3.09Å; S18-H195 PolarHBondContact OG-NE2 2.91Å
19I98.9Very high97.5Very high5 Ų532.5 Ų32.53%0.02616%0.163CC..Hα-helixtrans-64.1-35.8178.8-57.7171.5000110.1D17 W29 F80 A83 P129 L196D17-I19 VanDerWaalsContact C-N 3.29Å; D17-I19 PolarHBondContact O-N 3.05Å; D17-I19 PolarHBondContact OD1-N 3.27Å; I19-W29 PolarHBondContact O-NE1 3.24Å; I19-F80 HydrophobicContact CB-CE1 4.16Å; I19-F80 HydrophobicContact CB-CZ 4.39Å; I19-F80 HydrophobicContact CD1-CE2 4.41Å; I19-F80 HydrophobicContact CD1-CZ 4.2Å; I19-F80 HydrophobicContact CG2-CD1 4.15Å; I19-F80 HydrophobicContact CG2-CE1 3.41Å; I19-F80 VanDerWaalsContact CG2-CE1 3.41Å; I19-F80 HydrophobicContact CG2-CZ 3.76Å; I19-A83 HydrophobicContact CD1-CB 4.05Å; I19-P129 HydrophobicContact CD1-CG 3.87Å; I19-L196 HydrophobicContact CG2-CD1 3.56Å; I19-L196 HydrophobicContact CG2-CG 3.81Å
20T98.9Very high97.8Very high0 Ų029 Ų290%015%0.15CC..Hα-helixtrans-77-39.7171.7-60.90000112L14 D17 S18 F22 S23 W29 N45L14-T20 HydrophobicContact CB-CG2 3.72Å; L14-T20 VanDerWaalsContact O-CG2 3.3Å; L14-T20 WeakPolarHBondContact O-CG2 3.4Å; D17-T20 PolarHBondContact O-N 2.66Å; S18-T20 PolarHBondContact O-N 2.97Å; T20-F22 VanDerWaalsContact C-N 3.26Å; T20-F22 PolarHBondContact O-N 3.09Å; T20-S23 WeakPolarHBondContact O-CB 3.42Å; T20-S23 PolarHBondContact O-N 3.18Å; T20-S23 VanDerWaalsContact O-N 3.09Å; T20-S23 PolarHBondContact O-OG 3.19Å; T20-W29 HydrophobicContact CG2-CH2 4.43Å; T20-W29 HydrophobicContact CG2-CZ2 4.15Å; T20-N45 PolarHBondContact O-ND2 3.33Å; T20-N45 PolarHBondContact O-OD1 3.32Å
21Q98.8Very high97.9Very high81 Ų8129.5 Ų29.538%0.37915%0.153SC..Hα-helixtrans-59.5-41.4-179.7-169.4-179.5-65.800110.9D17 S18 S23 N45D17-Q21 PolarHBondContact O-N 2.73Å; S18-Q21 PolarHBondContact O-N 3.34Å; S18-Q21 VanDerWaalsContact O-N 3.15Å; Q21-S23 VanDerWaalsContact C-N 3.3Å; Q21-S23 PolarHBondContact O-N 2.72Å; Q21-N45 PolarHBondContact O-ND2 3.44Å
22F98.6Very high98Very high69 Ų6930.2 Ų30.230%0.30316%0.157SC..G310 helixtrans-84.2-0.7-179.3-55.9-33.2000114S18 T20 F24 Q25S18-F22 WeakPolarHBondContact O-CB 3.3Å; S18-F22 WeakPolarHBondContact O-CD2 3.4Å; S18-F22 VanDerWaalsContact O-CG 3.3Å; S18-F22 WeakPolarHBondContact O-CG 3.46Å; S18-F22 PolarHBondContact O-N 3.08Å; T20-F22 VanDerWaalsContact C-N 3.26Å; T20-F22 PolarHBondContact O-N 3.09Å; F22-F24 PolarHBondContact O-N 2.92Å; F22-Q25 HydrophobicContact CB-CG 4.37Å; F22-Q25 WeakPolarHBondContact O-CB 3.49Å; F22-Q25 WeakPolarHBondContact O-CG 3.41Å; F22-Q25 PolarHBondContact O-N 3.42Å
23S98.7Very high98Very high0 Ų030.2 Ų30.20%016%0.157CC..G310 helixtrans-61.3-15.2-178.670.40000115T20 Q21 G28 W29 G30 S31 N45T20-S23 WeakPolarHBondContact O-CB 3.42Å; T20-S23 PolarHBondContact O-N 3.18Å; T20-S23 VanDerWaalsContact O-N 3.09Å; T20-S23 PolarHBondContact O-OG 3.19Å; Q21-S23 VanDerWaalsContact C-N 3.3Å; Q21-S23 PolarHBondContact O-N 2.72Å; S23-G28 CarbonylContact O-C 3.6Å; S23-G28 VanDerWaalsContact O-CA 3.26Å; S23-G28 WeakPolarHBondContact O-CA 3.37Å; S23-W29 PolarHBondContact O-N 2.85Å; S23-G30 WeakPolarHBondContact O-CA 3.47Å; S23-G30 PolarHBondContact O-N 3.13Å; S23-S31 PolarHBondContact O-N 3.39Å; S23-N45 PolarHBondContact OG-ND2 3.47Å
24F98.3Very high98Very high87 Ų8731.3 Ų31.338%0.38217%0.167SC..G310 helixtrans-1014.8179.3-86.6-127.6000113.5L14 F22 A34 V43 N45L14-F24 HydrophobicContact CD1-CE2 3.8Å; F22-F24 PolarHBondContact O-N 2.92Å; F24-A34 HydrophobicContact CZ-CB 4.38Å; F24-V43 HydrophobicContact CE2-CG1 4.04Å; F24-V43 HydrophobicContact CZ-CB 4.14Å; F24-V43 HydrophobicContact CZ-CG1 3.83Å; F24-V43 WeakPolarHBondContact CZ-O 3.5Å; F24-N45 HydrophobicContact CD2-CB 4.1Å; F24-N45 HydrophobicContact CE2-CB 4Å; F24-N45 HydrophobicContact CZ-CB 4.37Å
25Q95.7Very high98Very high108 Ų10836.8 Ų36.851%0.50520%0.196SC..SBendtrans-61.4162.3167.8-71.1179.5-13.400110.6F22 N27 G28 S31F22-Q25 HydrophobicContact CB-CG 4.37Å; F22-Q25 WeakPolarHBondContact O-CB 3.49Å; F22-Q25 WeakPolarHBondContact O-CG 3.41Å; F22-Q25 PolarHBondContact O-N 3.42Å; Q25-N27 PolarHBondContact O-N 3.26Å; Q25-G28 WeakPolarHBondContact O-CA 3.47Å; Q25-G28 PolarHBondContact O-N 2.98Å; Q25-S31 PolarHBondContact O-OG 2.68Å
26P94.8Very high97.9Very high124 Ų12440.5 Ų40.581%0.80521%0.214SC*.THydrogen-bonded Turntrans-49.8131.4173.9-27.235.6000111.4G28P26-G28 PolarHBondContact O-N 3.16Å
27N92.9Very high97.8Very high70 Ų7040.6 Ų40.637%0.37421%0.214SC..THydrogen-bonded Turntrans60.720-176.3-49.6-27.4000114Q25 E198 N201 Q202Q25-N27 PolarHBondContact O-N 3.26Å; N27-E198 HydrophobicContact CB-CG 3.87Å; N27-E198 PolarHBondContact ND2-OE1 3.29Å; N27-N201 WeakPolarHBondContact O-CB 3.37Å; N27-Q202 PolarHBondContact O-NE2 3.42Å
28G97.9Very high97.7Very high1 Ų143.1 Ų43.11%0.0124%0.235CC..  trans-79.6147177.800000112.2S23 Q25 P26 G30 S31 E32 N201S23-G28 CarbonylContact O-C 3.6Å; S23-G28 VanDerWaalsContact O-CA 3.26Å; S23-G28 WeakPolarHBondContact O-CA 3.37Å; Q25-G28 WeakPolarHBondContact O-CA 3.47Å; Q25-G28 PolarHBondContact O-N 2.98Å; P26-G28 PolarHBondContact O-N 3.16Å; G28-G30 VanDerWaalsContact C-N 3.28Å; G28-G30 PolarHBondContact O-N 3.06Å; G28-S31 PolarHBondContact N-OG 2.93Å; G28-S31 PolarHBondContact O-N 3.26Å; G28-S31 PolarHBondContact O-OG 2.77Å; G28-E32 PolarHBondContact O-N 2.77Å; G28-E32 VanDerWaalsContact O-N 3.1Å; G28-N201 WeakPolarHBondContact CA-OD1 3.19Å
29W98.8Very high97.6Very high0 Ų047.8 Ų47.80%025%0.252CS..Hα-helixtrans-59.9-36.3-171.866.8-95.1000113.6L14 I19 T20 S23 E32 I33 F80 N201 V204 L208L14-W29 HydrophobicContact CB-CH2 3.99Å; L14-W29 HydrophobicContact CD1-CE3 4.3Å; L14-W29 HydrophobicContact CD1-CH2 3.72Å; L14-W29 HydrophobicContact CD1-CZ2 4.46Å; L14-W29 HydrophobicContact CD1-CZ3 3.62Å; L14-W29 HydrophobicContact CD2-CH2 3.86Å; L14-W29 HydrophobicContact CD2-CZ3 3.63Å; L14-W29 HydrophobicContact CG-CH2 4.06Å; L14-W29 HydrophobicContact CG-CZ3 4.11Å; I19-W29 PolarHBondContact O-NE1 3.24Å; T20-W29 HydrophobicContact CG2-CH2 4.43Å; T20-W29 HydrophobicContact CG2-CZ2 4.15Å; S23-W29 PolarHBondContact O-N 2.85Å; W29-E32 PolarHBondContact O-N 2.81Å; W29-I33 WeakPolarHBondContact O-CG1 3.47Å; W29-I33 PolarHBondContact O-N 3.25Å; W29-F80 HydrophobicContact CZ2-CD1 4.19Å; W29-N201 HydrophobicContact CB-CB 4.42Å; W29-N201 VanDerWaalsContact CB-O 3.3Å; W29-N201 WeakPolarHBondContact CB-O 3.31Å; W29-N201 PolarHBondContact N-OD1 3.41Å; W29-V204 HydrophobicContact CB-CB 4.06Å; W29-V204 HydrophobicContact CB-CG1 3.97Å; W29-V204 HydrophobicContact CD2-CG1 3.92Å; W29-V204 HydrophobicContact CE3-CG1 4.25Å; W29-V204 HydrophobicContact CG-CB 4.26Å; W29-V204 HydrophobicContact CG-CG1 3.81Å; W29-L208 HydrophobicContact CE3-CD2 3.74Å; W29-L208 HydrophobicContact CZ3-CD2 3.49Å; W29-L208 VanDerWaalsContact CZ3-CD2 3.49Å
30G98.7Very high97.4Very high0 Ų049.7 Ų49.70%026%0.26CS..Hα-helixtrans-70.2-36.8177.100000112.6S23 G28 E32 I33 A34S23-G30 WeakPolarHBondContact O-CA 3.47Å; S23-G30 PolarHBondContact O-N 3.13Å; G28-G30 VanDerWaalsContact C-N 3.28Å; G28-G30 PolarHBondContact O-N 3.06Å; G30-E32 VanDerWaalsContact C-N 3.33Å; G30-I33 PolarHBondContact O-N 2.87Å; G30-A34 WeakPolarHBondContact O-CB 3.4Å; G30-A34 PolarHBondContact O-N 2.97Å
31S98.1Very high97.3Very high32 Ų3250 Ų5022%0.22426%0.262CS..Hα-helixtrans-64.5-37.7174.572.20000112.2S23 Q25 G28 A34 N35S23-S31 PolarHBondContact O-N 3.39Å; Q25-S31 PolarHBondContact O-OG 2.68Å; G28-S31 PolarHBondContact N-OG 2.93Å; G28-S31 PolarHBondContact O-N 3.26Å; G28-S31 PolarHBondContact O-OG 2.77Å; S31-A34 PolarHBondContact O-N 3.3Å; S31-N35 WeakPolarHBondContact O-CB 3.21Å; S31-N35 PolarHBondContact O-N 2.95Å
32E98.2Very high97.2Very high44 Ų4449.3 Ų49.321%0.20626%0.261CS..Hα-helixtrans-67.8-42.7177.3-66.6-62.3174.300112.5G28 W29 G30 A34 N35 Q36 Q202 S205G28-E32 PolarHBondContact O-N 2.77Å; G28-E32 VanDerWaalsContact O-N 3.1Å; W29-E32 PolarHBondContact O-N 2.81Å; G30-E32 VanDerWaalsContact C-N 3.33Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 3.3Å; E32-N35 PolarHBondContact O-N 3.43Å; E32-Q36 WeakPolarHBondContact O-CG 3.48Å; E32-Q36 PolarHBondContact O-N 3.27Å; E32-Q202 PolarHBondContact OE1-NE2 2.92Å; E32-S205 VanDerWaalsContact CB-OG 3.28Å; E32-S205 WeakPolarHBondContact CB-OG 3.43Å
33I98.4Very high97.2Very high0 Ų047 Ų470%025%0.252CS..Hα-helixtrans-63.5-40.9174.7-60.5-59.5000110.4W29 G30 N35 Q36 L37 V43 L208 W209 L212W29-I33 WeakPolarHBondContact O-CG1 3.47Å; W29-I33 PolarHBondContact O-N 3.25Å; G30-I33 PolarHBondContact O-N 2.87Å; I33-N35 VanDerWaalsContact C-N 3.34Å; I33-N35 PolarHBondContact O-N 2.9Å; I33-Q36 PolarHBondContact O-N 3.29Å; I33-L37 HydrophobicContact CG2-CD1 3.84Å; I33-L37 WeakPolarHBondContact O-CB 3.36Å; I33-L37 WeakPolarHBondContact O-CG 3.44Å; I33-L37 PolarHBondContact O-N 3.33Å; I33-V43 HydrophobicContact CG2-CG2 4.01Å; I33-L208 HydrophobicContact CG1-CD2 4.48Å; I33-W209 HydrophobicContact CD1-CB 4.36Å; I33-W209 HydrophobicContact CD1-CE3 3.9Å; I33-L212 HydrophobicContact CD1-CD1 4.07Å; I33-L212 HydrophobicContact CG1-CD1 4.32Å; I33-L212 HydrophobicContact CG2-CD1 3.8Å
34A98.3Very high97.2Very high31 Ų3148 Ų4826%0.25626%0.258SS..Hα-helixtrans-61.4-41.8176.300000112.3F24 G30 S31 E32 L37 A38 V43F24-A34 HydrophobicContact CZ-CB 4.38Å; G30-A34 WeakPolarHBondContact O-CB 3.4Å; G30-A34 PolarHBondContact O-N 2.97Å; S31-A34 PolarHBondContact O-N 3.3Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 3.3Å; A34-L37 CarbonylContact O-C 3.55Å; A34-L37 PolarHBondContact O-N 2.88Å; A34-A38 PolarHBondContact O-N 3.09Å; A34-A38 VanDerWaalsContact O-N 3.12Å; A34-V43 HydrophobicContact CB-CB 3.88Å; A34-V43 HydrophobicContact CB-CG2 3.97Å
35N97.7Very high97.2Very high115 Ų11545.6 Ų45.662%0.61525%0.25SC*.Hα-helixtrans-63.1-43.7176.3-176.953.9000111.8S31 E32 I33 L37 A38S31-N35 WeakPolarHBondContact O-CB 3.21Å; S31-N35 PolarHBondContact O-N 2.95Å; E32-N35 PolarHBondContact O-N 3.43Å; I33-N35 VanDerWaalsContact C-N 3.34Å; I33-N35 PolarHBondContact O-N 2.9Å; N35-L37 PolarHBondContact O-N 2.92Å; N35-A38 VanDerWaalsContact O-CB 3.32Å; N35-A38 WeakPolarHBondContact O-CB 3.16Å; N35-A38 PolarHBondContact O-N 3.45Å
36Q96.8Very high97.3Very high79 Ų7945.1 Ų45.137%0.36924%0.243SC..Hα-helixtrans-64.4-28.7176.8-72-177.365.500113.4E32 I33 W209E32-Q36 WeakPolarHBondContact O-CG 3.48Å; E32-Q36 PolarHBondContact O-N 3.27Å; I33-Q36 PolarHBondContact O-N 3.29Å; Q36-W209 HydrophobicContact CB-CH2 4.03Å; Q36-W209 HydrophobicContact CB-CZ3 4.07Å
37L97.6Very high97.5Very high2 Ų239.6 Ų39.61%0.0121%0.209CC..THydrogen-bonded Turntrans-98.611.2-179.2-67.3176000113.7V12 I33 A34 N35 R39 K40 C41 V43 W209 V216V12-L37 HydrophobicContact CG2-CD1 3.97Å; I33-L37 HydrophobicContact CG2-CD1 3.84Å; I33-L37 WeakPolarHBondContact O-CB 3.36Å; I33-L37 WeakPolarHBondContact O-CG 3.44Å; I33-L37 PolarHBondContact O-N 3.33Å; A34-L37 CarbonylContact O-C 3.55Å; A34-L37 PolarHBondContact O-N 2.88Å; N35-L37 PolarHBondContact O-N 2.92Å; L37-R39 PolarHBondContact O-N 3.2Å; L37-K40 WeakPolarHBondContact O-CB 3.32Å; L37-K40 PolarHBondContact O-N 3.18Å; L37-C41 HydrophobicContact CB-CB 4.09Å; L37-C41 HydrophobicContact CD1-CB 4.11Å; L37-C41 HydrophobicContact CD2-CB 4.29Å; L37-C41 HydrophobicContact CG-CB 4.4Å; L37-C41 PolarHBondContact O-N 2.84Å; L37-C41 VanDerWaalsContact O-N 3.11Å; L37-V43 HydrophobicContact CB-CG2 4.45Å; L37-V43 HydrophobicContact CD1-CG2 3.89Å; L37-W209 HydrophobicContact CD2-CH2 4.02Å; L37-W209 HydrophobicContact CD2-CZ3 4.13Å; L37-W209 HydrophobicContact CG-CH2 4.47Å; L37-W209 HydrophobicContact CG-CZ3 4.18Å; L37-V216 HydrophobicContact CD2-CB 3.85Å; L37-V216 HydrophobicContact CD2-CG1 4.42Å; L37-V216 HydrophobicContact CD2-CG2 3.68Å
38A97.1Very high97.8Very high53 Ų5338.2 Ų38.244%0.43820%0.201SC..THydrogen-bonded Turntrans-52.1130.7178.900000111.1A34 N35 K40A34-A38 PolarHBondContact O-N 3.09Å; A34-A38 VanDerWaalsContact O-N 3.12Å; N35-A38 VanDerWaalsContact O-CB 3.32Å; N35-A38 WeakPolarHBondContact O-CB 3.16Å; N35-A38 PolarHBondContact O-N 3.45Å; A38-K40 PolarHBondContact O-N 3.24Å
39R95.6Very high97.8Very high102 Ų10241 Ų4139%0.38522%0.22SC..THydrogen-bonded Turntrans60.418.1-174.9-66.8179.159.8-160.6-0.2115.3L37 F221 I222 L223 P224L37-R39 PolarHBondContact O-N 3.2Å; R39-F221 HydrophobicContact CB-CD1 3.67Å; R39-F221 HydrophobicContact CB-CE1 4.18Å; R39-F221 CarbonylContact O-C 3.28Å; R39-F221 WeakPolarHBondContact O-CA 3.31Å; R39-I222 PolarHBondContact O-N 2.92Å; R39-L223 PolarHBondContact NH2-O 3.3Å; R39-P224 PolarHBondContact NH2-O 2.87Å; R39-P224 VanDerWaalsContact NH2-O 3.13Å
40K96.3Very high97.8Very high45 Ų4541.8 Ų41.820%0.19623%0.229CC..THydrogen-bonded Turntrans-125.2-43.1175.8-62.7-172.8168-154.90113.5L37 A38 L219 F221 I222L37-K40 WeakPolarHBondContact O-CB 3.32Å; L37-K40 PolarHBondContact O-N 3.18Å; A38-K40 PolarHBondContact O-N 3.24Å; K40-L219 HydrophobicContact CB-CB 4.25Å; K40-L219 WeakPolarHBondContact CD-O 3.28Å; K40-L219 WeakPolarHBondContact CE-O 3.42Å; K40-L219 PolarHBondContact NZ-O 3.2Å; K40-F221 HydrophobicContact CG-CD1 4.03Å; K40-F221 HydrophobicContact CG-CE1 4.19Å; K40-I222 WeakPolarHBondContact O-CD1 3.45Å
41C96.5Very high97.8Very high7 Ų745.9 Ų45.95%0.04725%0.245CC..  trans-154.5134.2-169.1-172.70000109.6P10 Q11 L37 L219P10-C41 HydrophobicContact CB-CB 4.39Å; P10-C41 CarbonylContact O-C 3.52Å; P10-C41 WeakPolarHBondContact O-CA 3.48Å; P10-C41 PolarHBondContact O-SG 3.03Å; Q11-C41 VanDerWaalsContact C-SG 3.59Å; L37-C41 HydrophobicContact CB-CB 4.09Å; L37-C41 HydrophobicContact CD1-CB 4.11Å; L37-C41 HydrophobicContact CD2-CB 4.29Å; L37-C41 HydrophobicContact CG-CB 4.4Å; L37-C41 PolarHBondContact O-N 2.84Å; L37-C41 VanDerWaalsContact O-N 3.11Å; C41-L219 HydrophobicContact CB-CD1 3.76Å
42D97Very high97.8Very high66 Ų6644.3 Ų44.335%0.35323%0.234SC..EExtended strand (participates in β ladder)trans-73.3134.4172.8-75.2-21.1000109.9W9 P10 Q11 V12 V44W9-D42 HydrophobicContact CB-CB 4.44Å; W9-D42 WeakPolarHBondContact CB-OD2 3.46Å; P10-D42 PolarHBondContact O-N 2.93Å; Q11-D42 CarbonylContact C-O 3.57Å; Q11-D42 VanDerWaalsContact CA-O 3.31Å; Q11-D42 WeakPolarHBondContact CA-O 3.46Å; Q11-D42 HydrophobicContact CG-CB 4.25Å; V12-D42 PolarHBondContact N-O 3.46Å; D42-V44 HydrophobicContact CB-CG2 4.18Å
43V98.2Very high97.9Very high20 Ų2042.2 Ų42.212%0.12122%0.224CC..EExtended strand (participates in β ladder)trans-103114.6169.1-1760000108.5V12 L14 F24 I33 A34 L37V12-V43 HydrophobicContact CB-CG2 4.45Å; V12-V43 WeakPolarHBondContact O-CA 3.31Å; L14-V43 HydrophobicContact CD1-CG1 3.69Å; L14-V43 HydrophobicContact CD2-CG1 4.24Å; L14-V43 HydrophobicContact CG-CG1 3.86Å; F24-V43 HydrophobicContact CE2-CG1 4.04Å; F24-V43 HydrophobicContact CZ-CB 4.14Å; F24-V43 HydrophobicContact CZ-CG1 3.83Å; F24-V43 WeakPolarHBondContact CZ-O 3.5Å; I33-V43 HydrophobicContact CG2-CG2 4.01Å; A34-V43 HydrophobicContact CB-CB 3.88Å; A34-V43 HydrophobicContact CB-CG2 3.97Å; L37-V43 HydrophobicContact CB-CG2 4.45Å; L37-V43 HydrophobicContact CD1-CG2 3.89Å
44V97.8Very high97.9Very high21 Ų2146 Ų4613%0.12724%0.239CC..EExtended strand (participates in β ladder)trans-109.4110.1-169-177.40000110Q11 V12 I13 L14 D42 R46Q11-V44 HydrophobicContact CB-CG2 4.46Å; Q11-V44 HydrophobicContact CG-CG2 4.48Å; V12-V44 PolarHBondContact O-N 3.33Å; I13-V44 HydrophobicContact CG1-CB 4.4Å; L14-V44 PolarHBondContact N-O 3.28Å; D42-V44 HydrophobicContact CB-CG2 4.18Å; V44-R46 HydrophobicContact CG1-CG 4.41Å; V44-R46 PolarHBondContact O-N 3Å
45N98.6Very high97.9Very high37 Ų3748.4 Ų48.420%0.19824%0.241CC..EExtended strand (participates in β ladder)trans-76.6122.8177-169.1-28.3000111.5T20 Q21 S23 F24 G47T20-N45 PolarHBondContact O-ND2 3.33Å; T20-N45 PolarHBondContact O-OD1 3.32Å; Q21-N45 PolarHBondContact O-ND2 3.44Å; S23-N45 PolarHBondContact OG-ND2 3.47Å; F24-N45 HydrophobicContact CD2-CB 4.1Å; F24-N45 HydrophobicContact CE2-CB 4Å; F24-N45 HydrophobicContact CZ-CB 4.37Å; N45-G47 PolarHBondContact OD1-N 2.65Å
46R98.4Very high98Very high99 Ų9943 Ų4337%0.37421%0.212SC..EExtended strand (participates in β ladder)trans-128.140.3171.9-64.5-65.9-179.9-92.7-0.9110.3I13 L14 F15 G16 V44I13-R46 HydrophobicContact CG2-CB 4.4Å; I13-R46 HydrophobicContact CG2-CG 3.96Å; L14-R46 CarbonylContact O-C 2.98Å; L14-R46 VanDerWaalsContact O-CA 3.29Å; L14-R46 WeakPolarHBondContact O-CA 3.31Å; L14-R46 WeakPolarHBondContact O-CB 3.28Å; L14-R46 PolarHBondContact O-N 3.22Å; F15-R46 HydrophobicContact CD2-CB 4.06Å; F15-R46 WeakPolarHBondContact CD2-O 3.48Å; G16-R46 PolarHBondContact N-O 3.31Å; V44-R46 HydrophobicContact CG1-CG 4.41Å; V44-R46 PolarHBondContact O-N 3Å
47G98.7Very high98Very high8 Ų842.2 Ų42.28%0.08221%0.208CC..EExtended strand (participates in β ladder)trans-78.3135.4171.600000112.1G16 D17 N45G16-G47 CarbonylContact O-C 3.58Å; G16-G47 VanDerWaalsContact O-CA 3.32Å; G16-G47 WeakPolarHBondContact O-CA 3.32Å; D17-G47 WeakPolarHBondContact O-CA 3.29Å; N45-G47 PolarHBondContact OD1-N 2.65Å
48L98.7Very high98.1Very high41 Ų4147.7 Ų47.722%0.21524%0.235CC..  trans-130.496.2-174.4-59.7171.8000109.7F15 G16 D17 G50 Y51 V59 L63F15-L48 HydrophobicContact CE2-CD1 4.46Å; G16-L48 PolarHBondContact O-N 3.09Å; D17-L48 CarbonylContact C-O 3.51Å; D17-L48 VanDerWaalsContact CA-O 3.31Å; D17-L48 WeakPolarHBondContact CA-O 3.3Å; D17-L48 PolarHBondContact O-N 3.4Å; L48-G50 PolarHBondContact O-N 3.31Å; L48-Y51 HydrophobicContact CB-CD1 3.92Å; L48-Y51 HydrophobicContact CB-CD2 3.61Å; L48-Y51 HydrophobicContact CB-CE1 4.3Å; L48-Y51 HydrophobicContact CB-CE2 4.01Å; L48-Y51 HydrophobicContact CB-CG 3.57Å; L48-Y51 HydrophobicContact CD1-CD1 3.7Å; L48-Y51 HydrophobicContact CD1-CE1 3.7Å; L48-Y51 HydrophobicContact CD1-CG 4.26Å; L48-Y51 HydrophobicContact CG-CD1 4.47Å; L48-Y51 VanDerWaalsContact O-CB 3.31Å; L48-Y51 WeakPolarHBondContact O-CB 3.46Å; L48-Y51 PolarHBondContact O-N 3.12Å; L48-Y51 VanDerWaalsContact O-N 3.07Å; L48-V59 HydrophobicContact CD1-CG1 3.9Å; L48-L63 HydrophobicContact CD1-CD1 4.22Å
49S98.6Very high98.1Very high58 Ų5846.3 Ų46.341%0.40622%0.221SC..THydrogen-bonded Turntrans-53.3128.2-174.6178.70000112.5Y51S49-Y51 VanDerWaalsContact C-N 3.3Å; S49-Y51 PolarHBondContact O-N 3.28Å
50G98.3Very high98.2Very high18 Ų1841.5 Ų41.519%0.18620%0.203CC..THydrogen-bonded Turntrans81.6-2.7178.800000115.6L48 W55 Q95L48-G50 PolarHBondContact O-N 3.31Å; G50-W55 WeakPolarHBondContact O-CZ3 3.4Å; G50-Q95 PolarHBondContact O-NE2 3.03Å
51Y98.8Very high98.1Very high85 Ų8542.2 Ų42.233%0.33321%0.213SC..  trans-72146.6179.8-83.3-131000112.6L48 S49 W55 V59 N84L48-Y51 HydrophobicContact CB-CD1 3.92Å; L48-Y51 HydrophobicContact CB-CD2 3.61Å; L48-Y51 HydrophobicContact CB-CE1 4.3Å; L48-Y51 HydrophobicContact CB-CE2 4.01Å; L48-Y51 HydrophobicContact CB-CG 3.57Å; L48-Y51 HydrophobicContact CD1-CD1 3.7Å; L48-Y51 HydrophobicContact CD1-CE1 3.7Å; L48-Y51 HydrophobicContact CD1-CG 4.26Å; L48-Y51 HydrophobicContact CG-CD1 4.47Å; L48-Y51 VanDerWaalsContact O-CB 3.31Å; L48-Y51 WeakPolarHBondContact O-CB 3.46Å; L48-Y51 PolarHBondContact O-N 3.12Å; L48-Y51 VanDerWaalsContact O-N 3.07Å; S49-Y51 VanDerWaalsContact C-N 3.3Å; S49-Y51 PolarHBondContact O-N 3.28Å; Y51-W55 HydrophobicContact CD1-CB 3.72Å; Y51-W55 HydrophobicContact CD1-CE3 4.25Å; Y51-W55 HydrophobicContact CD2-CE3 4.16Å; Y51-W55 HydrophobicContact CE1-CB 4.08Å; Y51-W55 HydrophobicContact CG-CB 4.46Å; Y51-W55 AromaticContact CG-CE3 3.96Å; Y51-W55 HydrophobicContact CG-CE3 3.96Å; Y51-V59 HydrophobicContact CE1-CG1 4.42Å; Y51-N84 WeakPolarHBondContact O-CB 3.26Å; Y51-N84 PolarHBondContact O-ND2 3.44Å
52N98.9Very high98Very high0 Ų052.1 Ų52.10%025%0.249CC..  trans-107.1172.4168.762.233.1000111.1R54 W55 A56 N84 D85 Q95 I97N52-R54 VanDerWaalsContact C-N 3.28Å; N52-R54 PolarHBondContact O-N 3.47Å; N52-R54 PolarHBondContact OD1-N 3.49Å; N52-W55 PolarHBondContact O-N 3.07Å; N52-W55 VanDerWaalsContact OD1-CG 3.3Å; N52-W55 PolarHBondContact OD1-N 3.29Å; N52-A56 WeakPolarHBondContact O-CB 3.46Å; N52-A56 PolarHBondContact O-N 2.85Å; N52-N84 HydrophobicContact CB-CB 4.49Å; N52-D85 WeakPolarHBondContact CA-OD2 3.36Å; N52-Q95 WeakPolarHBondContact CB-O 3.33Å; N52-Q95 PolarHBondContact ND2-O 3.19Å; N52-Q95 VanDerWaalsContact ND2-O 3.16Å; N52-I97 HydrophobicContact CB-CD1 4.31Å; N52-I97 HydrophobicContact CB-CG1 3.7Å
53S98.9Very high97.8Very high0 Ų051.5 Ų51.50%025%0.246CC..Hα-helixtrans-61.2-31.8-177.664.50000113.9A56 K57 D85 N105S53-A56 WeakPolarHBondContact O-CB 3.31Å; S53-A56 PolarHBondContact O-N 2.76Å; S53-K57 PolarHBondContact O-N 2.84Å; S53-D85 WeakPolarHBondContact CB-OD1 3.4Å; S53-D85 PolarHBondContact N-OD1 3Å; S53-D85 PolarHBondContact N-OD2 3.1Å; S53-D85 PolarHBondContact OG-OD1 3.11Å; S53-N105 PolarHBondContact OG-ND2 3.07Å
54R98.9Very high97.5Very high80 Ų8050.7 Ų50.730%0.30224%0.241SC..Hα-helixtrans-64-46.1177.1-176.7-169.4-66.3141.4-0.4110.8N52 K57 I58 I97 E101 N105N52-R54 VanDerWaalsContact C-N 3.28Å; N52-R54 PolarHBondContact O-N 3.47Å; N52-R54 PolarHBondContact OD1-N 3.49Å; R54-K57 WeakPolarHBondContact O-CG 3.47Å; R54-I58 HydrophobicContact CG-CD1 4.49Å; R54-I58 WeakPolarHBondContact O-CD1 3.42Å; R54-I58 WeakPolarHBondContact O-CG1 3.27Å; R54-I58 PolarHBondContact O-N 2.84Å; R54-I97 HydrophobicContact CB-CD1 3.54Å; R54-I97 HydrophobicContact CB-CG1 4.4Å; R54-I97 HydrophobicContact CG-CD1 4.48Å; R54-E101 IonicContact CZ-OE1 3.65Å; R54-E101 VanDerWaalsContact CZ-OE1 3.29Å; R54-E101 IonicContact CZ-OE2 3.16Å; R54-E101 IonicContact NE-OE1 3.75Å; R54-E101 PolarHBondContact NE-OE1 3.25Å; R54-E101 IonicContact NE-OE2 2.92Å; R54-E101 VanDerWaalsContact NH2-CD 3.28Å; R54-E101 IonicContact NH2-OE1 2.74Å; R54-E101 PolarHBondContact NH2-OE1 3.35Å; R54-E101 VanDerWaalsContact NH2-OE1 3.16Å; R54-E101 IonicContact NH2-OE2 2.67Å; R54-E101 PolarHBondContact NH2-OE2 3.36Å; R54-N105 WeakPolarHBondContact CA-ND2 3.25Å; R54-N105 PolarHBondContact N-ND2 3.29Å
55W98.9Very high97Very high81 Ų8151.7 Ų51.731%0.30725%0.248SC..Hα-helixtrans-72.1-36.4176.9-53.9-20.4000111.5G50 Y51 N52 K57 I58 V59 Q94G50-W55 WeakPolarHBondContact O-CZ3 3.4Å; Y51-W55 HydrophobicContact CD1-CB 3.72Å; Y51-W55 HydrophobicContact CD1-CE3 4.25Å; Y51-W55 HydrophobicContact CD2-CE3 4.16Å; Y51-W55 HydrophobicContact CE1-CB 4.08Å; Y51-W55 HydrophobicContact CG-CB 4.46Å; Y51-W55 AromaticContact CG-CE3 3.96Å; Y51-W55 HydrophobicContact CG-CE3 3.96Å; N52-W55 PolarHBondContact O-N 3.07Å; N52-W55 VanDerWaalsContact OD1-CG 3.3Å; N52-W55 PolarHBondContact OD1-N 3.29Å; W55-K57 PolarHBondContact O-N 2.86Å; W55-I58 PolarHBondContact O-N 2.8Å; W55-V59 WeakPolarHBondContact O-CG1 3.42Å; W55-V59 PolarHBondContact O-N 3.21Å; W55-Q94 HydrophobicContact CH2-CG 4.09Å; W55-Q94 HydrophobicContact CZ2-CG 4.28Å; W55-Q94 VanDerWaalsContact CZ2-O 3.27Å; W55-Q94 WeakPolarHBondContact CZ2-O 3.31Å
56A98.7Very high96Very high0 Ų057 Ų570%027%0.269CS..Hα-helixtrans-55.3-50.6176.100000111.6F15 N52 S53 I58 V59 L60 F81 I109F15-A56 HydrophobicContact CE1-CB 4.06Å; F15-A56 HydrophobicContact CZ-CB 3.74Å; N52-A56 WeakPolarHBondContact O-CB 3.46Å; N52-A56 PolarHBondContact O-N 2.85Å; S53-A56 WeakPolarHBondContact O-CB 3.31Å; S53-A56 PolarHBondContact O-N 2.76Å; A56-I58 VanDerWaalsContact C-N 3.27Å; A56-I58 PolarHBondContact O-N 3.49Å; A56-V59 WeakPolarHBondContact O-CG1 3.34Å; A56-V59 PolarHBondContact O-N 3.26Å; A56-L60 VanDerWaalsContact O-CB 3.3Å; A56-L60 WeakPolarHBondContact O-CB 3.43Å; A56-L60 PolarHBondContact O-N 2.95Å; A56-F81 HydrophobicContact CB-CD1 4.21Å; A56-F81 HydrophobicContact CB-CD2 4.01Å; A56-F81 HydrophobicContact CB-CE1 3.71Å; A56-F81 HydrophobicContact CB-CE2 3.49Å; A56-F81 VanDerWaalsContact CB-CE2 3.49Å; A56-F81 HydrophobicContact CB-CG 4.35Å; A56-F81 HydrophobicContact CB-CZ 3.32Å; A56-I109 HydrophobicContact CB-CD1 4.25Å
57K97.9Very high94.9Very high64 Ų6459.5 Ų59.528%0.27829%0.291SS..Hα-helixtrans-63.5-33.4179.580.5174.6-179.5-174.40113.1S53 R54 W55 P61 N105 D108 I109S53-K57 PolarHBondContact O-N 2.84Å; R54-K57 WeakPolarHBondContact O-CG 3.47Å; W55-K57 PolarHBondContact O-N 2.86Å; K57-P61 WeakPolarHBondContact O-CD 3.32Å; K57-N105 HydrophobicContact CD-CB 4.27Å; K57-N105 VanDerWaalsContact CD-OD1 3.31Å; K57-N105 WeakPolarHBondContact CD-OD1 3.31Å; K57-N105 WeakPolarHBondContact CE-OD1 3.45Å; K57-N105 PolarHBondContact NZ-OD1 2.55Å; K57-D108 HydrophobicContact CD-CB 4.06Å; K57-D108 IonicContact NZ-OD2 2.73Å; K57-D108 PolarHBondContact NZ-OD2 2.86Å; K57-I109 HydrophobicContact CB-CG1 4.02Å
58I98.5Very high93.4Very high116 Ų11660.9 Ų60.960%0.59530%0.299SS*.Hα-helixtrans-70.7-41.3179.1-67.8167.5000111.1R54 W55 A56R54-I58 HydrophobicContact CG-CD1 4.49Å; R54-I58 WeakPolarHBondContact O-CD1 3.42Å; R54-I58 WeakPolarHBondContact O-CG1 3.27Å; R54-I58 PolarHBondContact O-N 2.84Å; W55-I58 PolarHBondContact O-N 2.8Å; A56-I58 VanDerWaalsContact C-N 3.27Å; A56-I58 PolarHBondContact O-N 3.49Å
59V98Very high91.7Very high24 Ų2463.1 Ų63.115%0.14532%0.323CS..Hα-helixtrans-81.7-24.8-177.375.20000112.6F15 L48 Y51 W55 A56 R62 L63F15-V59 HydrophobicContact CE2-CG1 4.44Å; F15-V59 HydrophobicContact CZ-CG1 4.39Å; L48-V59 HydrophobicContact CD1-CG1 3.9Å; Y51-V59 HydrophobicContact CE1-CG1 4.42Å; W55-V59 WeakPolarHBondContact O-CG1 3.42Å; W55-V59 PolarHBondContact O-N 3.21Å; A56-V59 WeakPolarHBondContact O-CG1 3.34Å; A56-V59 PolarHBondContact O-N 3.26Å; V59-R62 WeakPolarHBondContact O-CA 3.48Å; V59-R62 VanDerWaalsContact O-CB 3.3Å; V59-R62 WeakPolarHBondContact O-CB 3.3Å; V59-R62 PolarHBondContact O-N 2.91Å; V59-L63 HydrophobicContact CG1-CD1 3.9Å; V59-L63 HydrophobicContact CG2-CD1 4.24Å; V59-L63 HydrophobicContact CG2-CD2 4.45Å; V59-L63 HydrophobicContact CG2-CG 4.19Å; V59-L63 PolarHBondContact O-N 3.46Å
60L96.8Very high90.2Very high1 Ų161.4 Ų61.41%0.00531%0.311CS..Hα-helixtrans-50.7-45-174.3177.365.1000114.5F15 A56 R62 L63 I64 I109 H112 L113F15-L60 HydrophobicContact CD1-CD1 4.08Å; F15-L60 HydrophobicContact CE1-CB 4.27Å; F15-L60 HydrophobicContact CE1-CD1 3.82Å; F15-L60 HydrophobicContact CE1-CD2 4.49Å; F15-L60 HydrophobicContact CE1-CG 4.42Å; F15-L60 HydrophobicContact CZ-CB 4.18Å; F15-L60 HydrophobicContact CZ-CD1 4.16Å; A56-L60 VanDerWaalsContact O-CB 3.3Å; A56-L60 WeakPolarHBondContact O-CB 3.43Å; A56-L60 PolarHBondContact O-N 2.95Å; L60-R62 PolarHBondContact O-N 2.89Å; L60-R62 VanDerWaalsContact O-N 3.09Å; L60-L63 PolarHBondContact O-N 3.47Å; L60-I64 HydrophobicContact CD1-CB 4.15Å; L60-I64 HydrophobicContact CD1-CD1 3.79Å; L60-I64 HydrophobicContact CD1-CG1 3.99Å; L60-I64 PolarHBondContact O-N 2.79Å; L60-I109 HydrophobicContact CD2-CB 4.1Å; L60-I109 HydrophobicContact CD2-CG1 4.05Å; L60-I109 HydrophobicContact CD2-CG2 3.8Å; L60-H112 HydrophobicContact CD2-CB 4.01Å; L60-H112 VanDerWaalsContact CG-CD2 3.48Å; L60-H112 WeakPolarHBondContact CG-CD2 3.4Å; L60-L113 HydrophobicContact CD1-CD2 4.38Å; L60-L113 HydrophobicContact CD2-CG 4.4Å
61P95.1Very high88.7Confident60 Ų6060.9 Ų60.939%0.3931%0.305SS..Hα-helixtrans-59.6-22.3176.4-23.933.7000114.7K57 S65K57-P61 WeakPolarHBondContact O-CD 3.32Å; P61-S65 WeakPolarHBondContact O-CB 3.46Å
62R94.2Very high87.6Confident215 Ų21563 Ų6381%0.81132%0.322SS*.Hα-helixtrans-84.6-19175.7-58.2177.162.1-171.4-1.4112.9V59 L60V59-R62 WeakPolarHBondContact O-CA 3.48Å; V59-R62 VanDerWaalsContact O-CB 3.3Å; V59-R62 WeakPolarHBondContact O-CB 3.3Å; V59-R62 PolarHBondContact O-N 2.91Å; L60-R62 PolarHBondContact O-N 2.89Å; L60-R62 VanDerWaalsContact O-N 3.09Å
63L93.3Very high87.1Confident54 Ų5466.7 Ų66.728%0.28334%0.339SS..Hα-helixtrans-99.9-38.3-176.7-57.4-179.8000112F15 L48 V59 L60F15-L63 HydrophobicContact CD2-CD1 4.2Å; F15-L63 HydrophobicContact CE2-CD1 3.66Å; L48-L63 HydrophobicContact CD1-CD1 4.22Å; V59-L63 HydrophobicContact CG1-CD1 3.9Å; V59-L63 HydrophobicContact CG2-CD1 4.24Å; V59-L63 HydrophobicContact CG2-CD2 4.45Å; V59-L63 HydrophobicContact CG2-CG 4.19Å; V59-L63 PolarHBondContact O-N 3.46Å; L60-L63 PolarHBondContact O-N 3.47Å
64I91.8Very high87Confident3 Ų366.9 Ų66.92%0.01534%0.34CS..SBendtrans-131.3101.5-179.2-49.9-178.9000106.9I13 L60 I74 V77 H112 L113 V116I13-I64 HydrophobicContact CB-CD1 4.46Å; I13-I64 HydrophobicContact CD1-CD1 3.82Å; I13-I64 HydrophobicContact CD1-CG1 4.06Å; I13-I64 HydrophobicContact CD1-CG2 4.47Å; I13-I64 HydrophobicContact CG2-CD1 3.93Å; L60-I64 HydrophobicContact CD1-CB 4.15Å; L60-I64 HydrophobicContact CD1-CD1 3.79Å; L60-I64 HydrophobicContact CD1-CG1 3.99Å; L60-I64 PolarHBondContact O-N 2.79Å; I64-I74 HydrophobicContact CG2-CD1 3.89Å; I64-V77 HydrophobicContact CD1-CG1 4.23Å; I64-H112 PolarHBondContact O-NE2 2.91Å; I64-L113 HydrophobicContact CB-CD2 4.5Å; I64-L113 HydrophobicContact CD1-CD2 3.88Å; I64-L113 HydrophobicContact CG2-CD2 4.14Å; I64-V116 HydrophobicContact CG2-CG2 4.09Å
65S86.6Confident86.8Confident41 Ų4163.7 Ų63.729%0.28733%0.33SS..  trans-124.8157.9-17768.20000110.3P61 D67 S68 S71P61-S65 WeakPolarHBondContact O-CB 3.46Å; S65-D67 PolarHBondContact O-N 2.94Å; S65-S68 PolarHBondContact O-N 3.47Å; S65-S68 PolarHBondContact O-OG 2.98Å; S65-S71 WeakPolarHBondContact O-CB 3.42Å
66K78.7Confident86.8Confident148 Ų14859.8 Ų59.864%0.64332%0.316SS*.THydrogen-bonded Turntrans-60.3-31.9179.2-169.6173.4-178.6176.10112.5S68 S71 V116K66-S68 VanDerWaalsContact C-N 3.29Å; K66-S68 PolarHBondContact O-N 3.25Å; K66-S71 PolarHBondContact O-OG 3.37Å; K66-V116 HydrophobicContact CB-CB 4.45Å; K66-V116 HydrophobicContact CB-CG1 4.29Å
67D73.9Confident86.8Confident153 Ų15359.8 Ų59.882%0.81832%0.316SS*.THydrogen-bonded Turntrans-83.1-1.7-174.2-58.2-32.9000113.5S65 A69S65-D67 PolarHBondContact O-N 2.94Å; D67-A69 PolarHBondContact O-N 3.2Å
68S68.3Low86.8Confident37 Ų3756.8 Ų56.826%0.25930%0.303SS..SBendtrans-67.9133.7171.469.50000109.7S65 K66 S70 S71S65-S68 PolarHBondContact O-N 3.47Å; S65-S68 PolarHBondContact O-OG 2.98Å; K66-S68 VanDerWaalsContact C-N 3.29Å; K66-S68 PolarHBondContact O-N 3.25Å; S68-S70 PolarHBondContact O-N 2.86Å; S68-S71 WeakPolarHBondContact O-CB 3.48Å; S68-S71 PolarHBondContact O-N 2.96Å; S68-S71 PolarHBondContact O-OG 3.06Å; S68-S71 VanDerWaalsContact O-OG 3.06Å; S68-S71 WeakPolarHBondContact OG-CB 3.37Å; S68-S71 PolarHBondContact OG-N 3.31Å
69A61.8Low86.9Confident88 Ų8851.2 Ų51.273%0.72727%0.274SS*.THydrogen-bonded Turntrans-55.3-21179.700000113.4D67D67-A69 PolarHBondContact O-N 3.2Å
70S67.7Low86.9Confident21 Ų2150.1 Ų50.115%0.14727%0.267CS..THydrogen-bonded Turntrans-101.80.1-179.7580000115Q11 S68 N72 H73 I74Q11-S70 PolarHBondContact OE1-OG 3.48Å; S68-S70 PolarHBondContact O-N 2.86Å; S70-N72 VanDerWaalsContact C-N 3.27Å; S70-N72 PolarHBondContact O-N 3.24Å; S70-H73 CarbonylContact O-C 3.48Å; S70-H73 WeakPolarHBondContact O-CA 3.4Å; S70-H73 PolarHBondContact O-N 2.65Å; S70-I74 PolarHBondContact O-N 3.45Å
71S67.1Low87Confident7 Ų750.1 Ų50.15%0.04927%0.268CS..G310 helixtrans-55.9-39.7-174.658.30000113S65 K66 S68 H73S65-S71 WeakPolarHBondContact O-CB 3.42Å; K66-S71 PolarHBondContact O-OG 3.37Å; S68-S71 WeakPolarHBondContact O-CB 3.48Å; S68-S71 PolarHBondContact O-N 2.96Å; S68-S71 PolarHBondContact O-OG 3.06Å; S68-S71 VanDerWaalsContact O-OG 3.06Å; S68-S71 WeakPolarHBondContact OG-CB 3.37Å; S68-S71 PolarHBondContact OG-N 3.31Å; S71-H73 PolarHBondContact O-N 2.99Å
72N75.3Confident87.2Confident131 Ų13147.3 Ų47.370%0.70125%0.249SC*.G310 helixtrans-75.4-6.6176-67.8-28.5000114.6S70S70-N72 VanDerWaalsContact C-N 3.27Å; S70-N72 PolarHBondContact O-N 3.24Å
73H89.2Confident87.4Confident77 Ų7737.2 Ų37.236%0.35621%0.212SC..G310 helixtrans-114.614.6-175.4-58.788.9000112.4I8 P10 Q11 S70 S71 A75I8-H73 HydrophobicContact CG2-CB 4.16Å; I8-H73 WeakPolarHBondContact CG2-ND1 3.31Å; P10-H73 CarbonylContact C-O 3.56Å; P10-H73 WeakPolarHBondContact CA-O 3.33Å; Q11-H73 PolarHBondContact N-O 3.24Å; S70-H73 CarbonylContact O-C 3.48Å; S70-H73 WeakPolarHBondContact O-CA 3.4Å; S70-H73 PolarHBondContact O-N 2.65Å; S71-H73 PolarHBondContact O-N 2.99Å; H73-A75 PolarHBondContact O-N 3.34Å
74I95.6Very high87.7Confident3 Ų334.9 Ų34.92%0.01520%0.199CC..EExtended strand (participates in β ladder)trans-72.2117.8173.5-63.3169.7000108.7Q11 I13 I64 S70 V77 V118 K122Q11-I74 CarbonylContact O-C 3.56Å; Q11-I74 WeakPolarHBondContact O-CA 3.41Å; I13-I74 HydrophobicContact CD1-CD1 3.66Å; I13-I74 HydrophobicContact CD1-CG1 3.93Å; I13-I74 HydrophobicContact CD1-CG2 4.5Å; I64-I74 HydrophobicContact CG2-CD1 3.89Å; S70-I74 PolarHBondContact O-N 3.45Å; I74-V77 HydrophobicContact CG2-CG2 3.55Å; I74-V118 HydrophobicContact CB-CG2 4.02Å; I74-V118 HydrophobicContact CD1-CG2 3.56Å; I74-V118 HydrophobicContact CG1-CG2 4.38Å; I74-V118 HydrophobicContact CG2-CG1 4.34Å; I74-V118 HydrophobicContact CG2-CG2 3.97Å; I74-K122 WeakPolarHBondContact O-CD 3.4Å; I74-K122 PolarHBondContact O-NZ 3.28Å
75A96.4Very high88Confident13 Ų1334.7 Ų34.711%0.10720%0.199CC..EExtended strand (participates in β ladder)trans-85.2-38.1176.300000111.5Q11 V12 H73 V216Q11-A75 PolarHBondContact O-N 3.2Å; V12-A75 HydrophobicContact CG2-CB 4.45Å; H73-A75 PolarHBondContact O-N 3.34Å; A75-V216 HydrophobicContact CB-CG1 4.13Å
76A98.1Very high88.6Confident0 Ų032.9 Ų32.90%019%0.186CC..EExtended strand (participates in β ladder)trans-155.2156.1175.500000112.3Q11 V12 I13 K122 L212Q11-A76 PolarHBondContact O-N 2.87Å; V12-A76 WeakPolarHBondContact CA-O 3.32Å; V12-A76 HydrophobicContact CG1-CB 4.37Å; V12-A76 HydrophobicContact CG2-CB 4.24Å; I13-A76 PolarHBondContact N-O 3.46Å; A76-K122 CarbonylContact C-O 3.6Å; A76-K122 VanDerWaalsContact CA-O 3.25Å; A76-K122 WeakPolarHBondContact CA-O 3.37Å; A76-L212 HydrophobicContact CB-CD2 3.48Å; A76-L212 VanDerWaalsContact CB-CD2 3.48Å
77V98.6Very high89.5Confident0 Ų025.9 Ų25.90%016%0.156CC..EExtended strand (participates in β ladder)trans-130120.3168.4-175.10000108.7I13 F15 I64 I74 V79 L113 V118 K122 V123 I124I13-V77 HydrophobicContact CB-CG1 4.39Å; I13-V77 HydrophobicContact CB-CG2 4.28Å; I13-V77 CarbonylContact O-C 3.52Å; I13-V77 WeakPolarHBondContact O-CA 3.31Å; F15-V77 HydrophobicContact CB-CG1 4.38Å; I64-V77 HydrophobicContact CD1-CG1 4.23Å; I74-V77 HydrophobicContact CG2-CG2 3.55Å; V77-V79 HydrophobicContact CG1-CG2 4.39Å; V77-L113 HydrophobicContact CB-CD1 4.33Å; V77-L113 HydrophobicContact CG1-CD1 4.12Å; V77-L113 HydrophobicContact CG1-CD2 4.44Å; V77-L113 HydrophobicContact CG2-CD2 4.31Å; V77-V118 HydrophobicContact CG2-CG1 3.88Å; V77-K122 PolarHBondContact N-O 3.39Å; V77-V123 WeakPolarHBondContact O-CA 3.29Å; V77-I124 PolarHBondContact O-N 3.17Å
78T98.9Very high90.7Very high0 Ų020.4 Ų20.40%013%0.126CC..EExtended strand (participates in β ladder)trans-84.6139.2167.671.90000109.6I13 L14 F15 I124 I126 L208I13-T78 PolarHBondContact O-N 3.16Å; L14-T78 WeakPolarHBondContact CA-OG1 3.38Å; L14-T78 HydrophobicContact CD2-CG2 3.95Å; F15-T78 WeakPolarHBondContact CA-O 3.4Å; F15-T78 WeakPolarHBondContact CB-O 3.24Å; F15-T78 PolarHBondContact N-O 2.83Å; T78-I124 CarbonylContact C-O 3.55Å; T78-I124 WeakPolarHBondContact CA-O 3.4Å; T78-I126 HydrophobicContact CG2-CD1 4.28Å; T78-L208 HydrophobicContact CG2-CD1 4.03Å; T78-L208 HydrophobicContact CG2-CD2 4.07Å
79V98.9Very high92.1Very high0 Ų024.7 Ų24.70%014%0.142CC..EExtended strand (participates in β ladder)trans-120.2107.8172.2-177.50000108.5F15 V77 F81 L106 I109 L113 V123 I124 F125 I126F15-V79 WeakPolarHBondContact O-CA 3.49Å; V77-V79 HydrophobicContact CG1-CG2 4.39Å; V79-F81 HydrophobicContact CG1-CD2 3.91Å; V79-F81 HydrophobicContact CG1-CE2 4.4Å; V79-L106 HydrophobicContact CG1-CD2 4.41Å; V79-I109 HydrophobicContact CG1-CD1 4.23Å; V79-I109 HydrophobicContact CG1-CG2 4.17Å; V79-I109 HydrophobicContact CG2-CG2 3.86Å; V79-L113 HydrophobicContact CG2-CD1 4.44Å; V79-V123 HydrophobicContact CG2-CG1 3.96Å; V79-I124 PolarHBondContact N-O 2.92Å; V79-F125 HydrophobicContact CB-CD1 3.66Å; V79-F125 HydrophobicContact CB-CE1 3.74Å; V79-F125 HydrophobicContact CG1-CD1 3.86Å; V79-F125 HydrophobicContact CG1-CE1 3.64Å; V79-F125 HydrophobicContact CG2-CE1 4.31Å; V79-F125 WeakPolarHBondContact O-CA 3.25Å; V79-I126 PolarHBondContact O-N 3.46Å
80F98.9Very high93.8Very high0 Ų026 Ų260%014%0.137CC..EExtended strand (participates in β ladder)trans-125.284.5-172-164.1178000110.9F15 G16 D17 I19 W29 I126 T127 L175F15-F80 PolarHBondContact O-N 3.08Å; G16-F80 WeakPolarHBondContact CA-O 3.46Å; D17-F80 PolarHBondContact N-O 3.49Å; I19-F80 HydrophobicContact CB-CE1 4.16Å; I19-F80 HydrophobicContact CB-CZ 4.39Å; I19-F80 HydrophobicContact CD1-CE2 4.41Å; I19-F80 HydrophobicContact CD1-CZ 4.2Å; I19-F80 HydrophobicContact CG2-CD1 4.15Å; I19-F80 HydrophobicContact CG2-CE1 3.41Å; I19-F80 VanDerWaalsContact CG2-CE1 3.41Å; I19-F80 HydrophobicContact CG2-CZ 3.76Å; W29-F80 HydrophobicContact CZ2-CD1 4.19Å; F80-I126 HydrophobicContact CB-CB 3.96Å; F80-I126 HydrophobicContact CB-CD1 4.31Å; F80-I126 HydrophobicContact CB-CG1 4.46Å; F80-I126 HydrophobicContact CD1-CB 4.01Å; F80-I126 HydrophobicContact CD1-CD1 3.91Å; F80-I126 HydrophobicContact CD1-CG2 3.85Å; F80-I126 HydrophobicContact CD2-CB 3.69Å; F80-I126 HydrophobicContact CD2-CG2 3.68Å; F80-I126 WeakPolarHBondContact CD2-O 3.4Å; F80-I126 HydrophobicContact CE1-CB 4.4Å; F80-I126 HydrophobicContact CE1-CD1 4.46Å; F80-I126 HydrophobicContact CE1-CG2 3.72Å; F80-I126 HydrophobicContact CE2-CB 4.12Å; F80-I126 HydrophobicContact CE2-CG2 3.57Å; F80-I126 HydrophobicContact CG-CB 3.63Å; F80-I126 HydrophobicContact CG-CD1 4.23Å; F80-I126 HydrophobicContact CG-CG1 4.43Å; F80-I126 HydrophobicContact CG-CG2 3.83Å; F80-I126 HydrophobicContact CZ-CB 4.46Å; F80-I126 HydrophobicContact CZ-CG2 3.59Å; F80-T127 WeakPolarHBondContact CE2-O 3.35Å; F80-L175 HydrophobicContact CE1-CD1 4.15Å; F80-L175 HydrophobicContact CE2-CD1 4.23Å; F80-L175 HydrophobicContact CZ-CD1 3.55Å
81F98.9Very high95.3Very high2 Ų230 Ų301%0.00915%0.152CC..  trans-131174.2176.8-69.3-78.1000109.5F15 G16 D17 A56 V79 Y102F15-F81 AromaticContact CD1-CE2 3.74Å; F15-F81 HydrophobicContact CD1-CE2 3.74Å; F15-F81 HydrophobicContact CD1-CZ 4.43Å; F15-F81 HydrophobicContact CD2-CE2 4.36Å; F15-F81 HydrophobicContact CD2-CZ 4.32Å; F15-F81 AromaticContact CE1-CE2 3.59Å; F15-F81 HydrophobicContact CE1-CE2 3.59Å; F15-F81 HydrophobicContact CE1-CZ 4.12Å; F15-F81 HydrophobicContact CE2-CE2 4.22Å; F15-F81 AromaticContact CE2-CZ 3.98Å; F15-F81 HydrophobicContact CE2-CZ 3.98Å; F15-F81 HydrophobicContact CG-CE2 4.13Å; F15-F81 AromaticContact CZ-CE2 3.85Å; F15-F81 HydrophobicContact CZ-CE2 3.85Å; F15-F81 AromaticContact CZ-CZ 3.88Å; F15-F81 HydrophobicContact CZ-CZ 3.88Å; G16-F81 WeakPolarHBondContact O-CZ 3.27Å; D17-F81 HydrophobicContact CB-CD1 4.15Å; D17-F81 HydrophobicContact CB-CE1 4.2Å; A56-F81 HydrophobicContact CB-CD1 4.21Å; A56-F81 HydrophobicContact CB-CD2 4.01Å; A56-F81 HydrophobicContact CB-CE1 3.71Å; A56-F81 HydrophobicContact CB-CE2 3.49Å; A56-F81 VanDerWaalsContact CB-CE2 3.49Å; A56-F81 HydrophobicContact CB-CG 4.35Å; A56-F81 HydrophobicContact CB-CZ 3.32Å; V79-F81 HydrophobicContact CG1-CD2 3.91Å; V79-F81 HydrophobicContact CG1-CE2 4.4Å; F81-Y102 PolarHBondContact O-OH 3.2Å; F81-Y102 VanDerWaalsContact O-OH 3.12Å
82G98.8Very high96.7Very high0 Ų031 Ų310%016%0.156CC..  trans117.3-29.5-178.200000113.3N84 D85 C86G82-N84 VanDerWaalsContact C-N 3.28Å; G82-N84 PolarHBondContact O-N 2.84Å; G82-D85 WeakPolarHBondContact CA-OD2 3.28Å; G82-D85 PolarHBondContact N-OD2 3.45Å; G82-D85 VanDerWaalsContact N-OD2 3.1Å; G82-D85 PolarHBondContact O-N 3.01Å; G82-C86 VanDerWaalsContact O-CB 3.32Å; G82-C86 WeakPolarHBondContact O-CB 3.37Å; G82-C86 PolarHBondContact O-N 2.66Å; G82-C86 PolarHBondContact O-SG 2.74Å
83A98.8Very high97.8Very high4 Ų429.1 Ų29.13%0.03315%0.151CC..THydrogen-bonded Turntrans-68.7-29.6-177.900000112.1I19 C86 P128 R149 L194I19-A83 HydrophobicContact CD1-CB 4.05Å; A83-C86 PolarHBondContact O-SG 3.28Å; A83-P128 HydrophobicContact CB-CB 4.28Å; A83-R149 PolarHBondContact O-NE 2.93Å; A83-L194 HydrophobicContact CB-CD1 4.27Å
84N98.9Very high98.2Very high4 Ų432.3 Ų32.32%0.02117%0.167CC..THydrogen-bonded Turntrans-89.5-39.9172.2-65.4-46.9000112.6D17 Y51 N52 G82 C86 A87 Q95 R149D17-N84 WeakPolarHBondContact CB-ND2 3.37Å; D17-N84 PolarHBondContact OD2-ND2 3.3Å; Y51-N84 WeakPolarHBondContact O-CB 3.26Å; Y51-N84 PolarHBondContact O-ND2 3.44Å; N52-N84 HydrophobicContact CB-CB 4.49Å; G82-N84 VanDerWaalsContact C-N 3.28Å; G82-N84 PolarHBondContact O-N 2.84Å; N84-C86 PolarHBondContact O-N 3.05Å; N84-A87 VanDerWaalsContact O-CB 3.23Å; N84-A87 WeakPolarHBondContact O-CB 3.41Å; N84-A87 PolarHBondContact O-N 3.2Å; N84-A87 VanDerWaalsContact O-N 3.11Å; N84-Q95 HydrophobicContact CB-CB 4.24Å; N84-Q95 CarbonylContact O-C 3.57Å; N84-Q95 PolarHBondContact OD1-NE2 2.82Å; N84-R149 PolarHBondContact OD1-NH2 3Å
85D98.9Very high98.4Very high0 Ų033.6 Ų33.60%017%0.172CC..THydrogen-bonded Turntrans-56-38.4179-57.4-109.2000112.4N52 S53 G82 A87 I97 Y102 Y157N52-D85 WeakPolarHBondContact CA-OD2 3.36Å; S53-D85 WeakPolarHBondContact CB-OD1 3.4Å; S53-D85 PolarHBondContact N-OD1 3Å; S53-D85 PolarHBondContact N-OD2 3.1Å; S53-D85 PolarHBondContact OG-OD1 3.11Å; G82-D85 WeakPolarHBondContact CA-OD2 3.28Å; G82-D85 PolarHBondContact N-OD2 3.45Å; G82-D85 VanDerWaalsContact N-OD2 3.1Å; G82-D85 PolarHBondContact O-N 3.01Å; D85-A87 PolarHBondContact O-N 3.35Å; D85-I97 HydrophobicContact CB-CB 4.03Å; D85-I97 HydrophobicContact CB-CG1 4.27Å; D85-I97 PolarHBondContact O-N 2.94Å; D85-I97 VanDerWaalsContact O-N 3.1Å; D85-I97 VanDerWaalsContact OD1-CG1 3.31Å; D85-I97 WeakPolarHBondContact OD1-CG1 3.42Å; D85-Y102 HydrophobicContact CB-CD2 3.86Å; D85-Y102 HydrophobicContact CB-CE2 4.3Å; D85-Y102 WeakPolarHBondContact OD1-CD2 3.23Å; D85-Y157 HydrophobicContact CB-CD1 3.88Å; D85-Y157 HydrophobicContact CB-CE1 3.77Å
86C98.7Very high98.5Very high3 Ų334.2 Ų34.22%0.0217%0.173CC..THydrogen-bonded Turntrans-76.26.2-179.377.10000114.9G82 A83 N84 V153 Y157G82-C86 VanDerWaalsContact O-CB 3.32Å; G82-C86 WeakPolarHBondContact O-CB 3.37Å; G82-C86 PolarHBondContact O-N 2.66Å; G82-C86 PolarHBondContact O-SG 2.74Å; A83-C86 PolarHBondContact O-SG 3.28Å; N84-C86 PolarHBondContact O-N 3.05Å; C86-V153 HydrophobicContact CB-CG1 4.16Å; C86-V153 WeakPolarHBondContact O-CG1 3.46Å; C86-Y157 HydrophobicContact CB-CD1 4.24Å; C86-Y157 HydrophobicContact CB-CD2 3.44Å; C86-Y157 VanDerWaalsContact CB-CD2 3.44Å; C86-Y157 HydrophobicContact CB-CE2 3.77Å; C86-Y157 HydrophobicContact CB-CG 3.71Å
87A98.7Very high98.5Very high1 Ų134.2 Ų34.21%0.00817%0.173CC..SBendtrans-55.2145.2169.800000111N84 D85 E89 N92 Q95 H96 N148 R149N84-A87 VanDerWaalsContact O-CB 3.23Å; N84-A87 WeakPolarHBondContact O-CB 3.41Å; N84-A87 PolarHBondContact O-N 3.2Å; N84-A87 VanDerWaalsContact O-N 3.11Å; D85-A87 PolarHBondContact O-N 3.35Å; A87-E89 PolarHBondContact O-N 2.86Å; A87-N92 HydrophobicContact CB-CB 4.08Å; A87-Q95 HydrophobicContact CB-CB 4.21Å; A87-H96 PolarHBondContact O-ND1 2.9Å; A87-N148 CarbonylContact C-O 3.01Å; A87-N148 WeakPolarHBondContact CA-O 3.48Å; A87-R149 HydrophobicContact CB-CG 4.3Å
88L98.6Very high98.5Very high37 Ų3737 Ų3719%0.19419%0.191CC..  trans-69.9127.8176-60.2176.9000109.3D90 K91 N92 N148 L150 V153L88-D90 VanDerWaalsContact C-N 3.3Å; L88-D90 PolarHBondContact O-N 3.22Å; L88-K91 HydrophobicContact CB-CB 4.09Å; L88-K91 HydrophobicContact CB-CG 4Å; L88-K91 HydrophobicContact CD1-CG 4.06Å; L88-K91 PolarHBondContact O-N 3.36Å; L88-N92 PolarHBondContact O-N 3.33Å; L88-N148 PolarHBondContact N-O 3.48Å; L88-L150 HydrophobicContact CD1-CD1 4.35Å; L88-L150 HydrophobicContact CD1-CG 4.16Å; L88-L150 HydrophobicContact CD2-CD1 4.1Å; L88-L150 HydrophobicContact CD2-CG 4.21Å; L88-V153 HydrophobicContact CD2-CG2 4.08Å
89E98.1Very high98.5Very high128 Ų12839.9 Ų39.960%0.59821%0.206SC*.THydrogen-bonded Turntrans-56-42.6-175-173.4176.1-163.500112.5A87 K91 P93A87-E89 PolarHBondContact O-N 2.86Å; E89-K91 VanDerWaalsContact C-N 3.3Å; E89-K91 PolarHBondContact O-N 3.15Å; E89-P93 WeakPolarHBondContact O-CA 3.22Å; E89-P93 WeakPolarHBondContact O-CB 3.47Å; E89-P93 WeakPolarHBondContact O-CD 3.33Å
90D97.8Very high98.5Very high114 Ų11446.6 Ų46.661%0.6124%0.238SC*.THydrogen-bonded Turntrans-75.5-17-178.572.4-54.8000113.5L88L88-D90 VanDerWaalsContact C-N 3.3Å; L88-D90 PolarHBondContact O-N 3.22Å
91K97.8Very high98.5Very high107 Ų10748.7 Ų48.747%0.46525%0.247SC..THydrogen-bonded Turntrans-103.4-34.4-178.4-57-54.2-173.7-134.80113.3L88 E89 N148L88-K91 HydrophobicContact CB-CB 4.09Å; L88-K91 HydrophobicContact CB-CG 4Å; L88-K91 HydrophobicContact CD1-CG 4.06Å; L88-K91 PolarHBondContact O-N 3.36Å; E89-K91 VanDerWaalsContact C-N 3.3Å; E89-K91 PolarHBondContact O-N 3.15Å; K91-N148 HydrophobicContact CB-CB 3.71Å
92N97.8Very high98.5Very high26 Ų2648.6 Ų48.614%0.13925%0.247CC..  trans-149.571.7-178-177-1.5000110.5A87 L88 Q94 Q95 H96 N148A87-N92 HydrophobicContact CB-CB 4.08Å; L88-N92 PolarHBondContact O-N 3.33Å; N92-Q94 PolarHBondContact O-N 3.04Å; N92-Q95 PolarHBondContact ND2-OE1 2.98Å; N92-Q95 PolarHBondContact O-N 2.85Å; N92-Q95 PolarHBondContact OD1-N 3.47Å; N92-H96 WeakPolarHBondContact O-CB 3.3Å; N92-H96 PolarHBondContact O-N 2.9Å; N92-H96 VanDerWaalsContact O-N 3.14Å; N92-N148 HydrophobicContact CB-CB 4.06Å
93P97.8Very high98.5Very high93 Ų9349.7 Ų49.760%0.60425%0.254SS*.THydrogen-bonded Turntrans-65.9-19.8-178.226.3-34.9000113E89E89-P93 WeakPolarHBondContact O-CA 3.22Å; E89-P93 WeakPolarHBondContact O-CB 3.47Å; E89-P93 WeakPolarHBondContact O-CD 3.33Å
94Q97.9Very high98.5Very high144 Ų14453.6 Ų53.667%0.67327%0.272SS*.THydrogen-bonded Turntrans-67.8-39.6-179.9-176.7175.5-0.500111.9W55 N92W55-Q94 HydrophobicContact CH2-CG 4.09Å; W55-Q94 HydrophobicContact CZ2-CG 4.28Å; W55-Q94 VanDerWaalsContact CZ2-O 3.27Å; W55-Q94 WeakPolarHBondContact CZ2-O 3.31Å; N92-Q94 PolarHBondContact O-N 3.04Å
95Q98.5Very high98.5Very high30 Ų3053.4 Ų53.414%0.1427%0.271CS..THydrogen-bonded Turntrans-93.6-27.3179.8-66-170.2-65.400112.9G50 N52 N84 A87 N92 I97G50-Q95 PolarHBondContact O-NE2 3.03Å; N52-Q95 WeakPolarHBondContact CB-O 3.33Å; N52-Q95 PolarHBondContact ND2-O 3.19Å; N52-Q95 VanDerWaalsContact ND2-O 3.16Å; N84-Q95 HydrophobicContact CB-CB 4.24Å; N84-Q95 CarbonylContact O-C 3.57Å; N84-Q95 PolarHBondContact OD1-NE2 2.82Å; A87-Q95 HydrophobicContact CB-CB 4.21Å; N92-Q95 PolarHBondContact ND2-OE1 2.98Å; N92-Q95 PolarHBondContact O-N 2.85Å; N92-Q95 PolarHBondContact OD1-N 3.47Å; Q95-I97 PolarHBondContact O-N 3.31Å
96H98.8Very high98.5Very high26 Ų2653.4 Ų53.412%0.1227%0.271CS..  trans-54.9134.1-179.8179.668000112.8A87 N92A87-H96 PolarHBondContact O-ND1 2.9Å; N92-H96 WeakPolarHBondContact O-CB 3.3Å; N92-H96 PolarHBondContact O-N 2.9Å; N92-H96 VanDerWaalsContact O-N 3.14Å
97I98.9Very high98.5Very high0 Ų056.8 Ų56.80%029%0.285CS..  trans-130.8124.1170.8-61.8-60.9000108.3N52 R54 D85 Q95 L99 E101 Y157N52-I97 HydrophobicContact CB-CD1 4.31Å; N52-I97 HydrophobicContact CB-CG1 3.7Å; R54-I97 HydrophobicContact CB-CD1 3.54Å; R54-I97 HydrophobicContact CB-CG1 4.4Å; R54-I97 HydrophobicContact CG-CD1 4.48Å; D85-I97 HydrophobicContact CB-CB 4.03Å; D85-I97 HydrophobicContact CB-CG1 4.27Å; D85-I97 PolarHBondContact O-N 2.94Å; D85-I97 VanDerWaalsContact O-N 3.1Å; D85-I97 VanDerWaalsContact OD1-CG1 3.31Å; D85-I97 WeakPolarHBondContact OD1-CG1 3.42Å; Q95-I97 PolarHBondContact O-N 3.31Å; I97-L99 PolarHBondContact O-N 3.43Å; I97-E101 HydrophobicContact CG2-CB 3.91Å; I97-E101 HydrophobicContact CG2-CG 4.14Å; I97-Y157 VanDerWaalsContact O-CE1 3.29Å; I97-Y157 WeakPolarHBondContact O-CE1 3.45Å; I97-Y157 PolarHBondContact O-OH 2.87Å
98P98.8Very high98.5Very high58 Ų5859.9 Ų59.938%0.37730%0.302SS..  trans-53.5140.7177.3-27.435.4000112.7Q100 E101 Y102P98-Q100 VanDerWaalsContact C-N 3.26Å; P98-Q100 PolarHBondContact O-N 3.25Å; P98-Q100 VanDerWaalsContact O-N 3.12Å; P98-E101 HydrophobicContact CB-CB 4.42Å; P98-E101 CarbonylContact O-C 3.59Å; P98-E101 WeakPolarHBondContact O-CA 3.45Å; P98-E101 WeakPolarHBondContact O-CB 3.34Å; P98-E101 PolarHBondContact O-N 2.94Å; P98-Y102 PolarHBondContact O-N 3.44Å
99L98.8Very high98.6Very high61 Ų6158.1 Ų58.132%0.31929%0.292SS..Hα-helixtrans-55.2-37.8-171.4-170.867.7000114.1I97 S103 Q156 Y157 A160I97-L99 PolarHBondContact O-N 3.43Å; L99-S103 PolarHBondContact O-N 3.35Å; L99-S103 VanDerWaalsContact O-N 3.11Å; L99-S103 PolarHBondContact O-OG 2.88Å; L99-Q156 HydrophobicContact CD1-CB 4.44Å; L99-Q156 HydrophobicContact CD2-CB 4.27Å; L99-Y157 HydrophobicContact CD1-CD1 3.87Å; L99-Y157 HydrophobicContact CD1-CD2 3.69Å; L99-Y157 HydrophobicContact CD1-CE1 4.01Å; L99-Y157 HydrophobicContact CD1-CE2 3.86Å; L99-Y157 HydrophobicContact CD1-CG 3.7Å; L99-A160 HydrophobicContact CD1-CB 3.73Å; L99-A160 HydrophobicContact CG-CB 4.24Å
100Q98.8Very high98.6Very high141 Ų14152.6 Ų52.666%0.65927%0.268SS*.Hα-helixtrans-63.4-48.4174.6179.7176.8-5.100111.1P98 Y102 S103 E104P98-Q100 VanDerWaalsContact C-N 3.26Å; P98-Q100 PolarHBondContact O-N 3.25Å; P98-Q100 VanDerWaalsContact O-N 3.12Å; Q100-Y102 VanDerWaalsContact C-N 3.33Å; Q100-Y102 PolarHBondContact O-N 3.1Å; Q100-S103 WeakPolarHBondContact O-CB 3.43Å; Q100-S103 PolarHBondContact O-N 3.2Å; Q100-E104 WeakPolarHBondContact CG-OE1 3.1Å; Q100-E104 PolarHBondContact NE2-OE1 2.9Å; Q100-E104 WeakPolarHBondContact O-CG 3.5Å; Q100-E104 PolarHBondContact O-N 2.86Å
101E98.9Very high98.6Very high44 Ų4454.8 Ų54.821%0.20627%0.272CS..Hα-helixtrans-63.5-40.4178.8-167.9-165.6139.300111.3R54 I97 P98 S103 E104 N105R54-E101 IonicContact CZ-OE1 3.65Å; R54-E101 VanDerWaalsContact CZ-OE1 3.29Å; R54-E101 IonicContact CZ-OE2 3.16Å; R54-E101 IonicContact NE-OE1 3.75Å; R54-E101 PolarHBondContact NE-OE1 3.25Å; R54-E101 IonicContact NE-OE2 2.92Å; R54-E101 VanDerWaalsContact NH2-CD 3.28Å; R54-E101 IonicContact NH2-OE1 2.74Å; R54-E101 PolarHBondContact NH2-OE1 3.35Å; R54-E101 VanDerWaalsContact NH2-OE1 3.16Å; R54-E101 IonicContact NH2-OE2 2.67Å; R54-E101 PolarHBondContact NH2-OE2 3.36Å; I97-E101 HydrophobicContact CG2-CB 3.91Å; I97-E101 HydrophobicContact CG2-CG 4.14Å; P98-E101 HydrophobicContact CB-CB 4.42Å; P98-E101 CarbonylContact O-C 3.59Å; P98-E101 WeakPolarHBondContact O-CA 3.45Å; P98-E101 WeakPolarHBondContact O-CB 3.34Å; P98-E101 PolarHBondContact O-N 2.94Å; E101-S103 VanDerWaalsContact C-N 3.3Å; E101-S103 PolarHBondContact O-N 2.89Å; E101-E104 PolarHBondContact O-N 3.32Å; E101-N105 WeakPolarHBondContact O-CB 3.38Å; E101-N105 PolarHBondContact O-N 3.11Å; E101-N105 PolarHBondContact O-ND2 3.29Å; E101-N105 PolarHBondContact O-OD1 2.96Å; E101-N105 PolarHBondContact OE1-ND2 2.81Å
102Y98.9Very high98.6Very high0 Ų051.4 Ų51.40%026%0.258CS..Hα-helixtrans-54.7-48.3173.7170.1-106.8000111.2F81 D85 P98 Q100 E104 N105 L106 Y157 A160 C161F81-Y102 PolarHBondContact O-OH 3.2Å; F81-Y102 VanDerWaalsContact O-OH 3.12Å; D85-Y102 HydrophobicContact CB-CD2 3.86Å; D85-Y102 HydrophobicContact CB-CE2 4.3Å; D85-Y102 WeakPolarHBondContact OD1-CD2 3.23Å; P98-Y102 PolarHBondContact O-N 3.44Å; Q100-Y102 VanDerWaalsContact C-N 3.33Å; Q100-Y102 PolarHBondContact O-N 3.1Å; Y102-E104 VanDerWaalsContact C-N 3.34Å; Y102-E104 PolarHBondContact O-N 3.08Å; Y102-N105 WeakPolarHBondContact O-CB 3.22Å; Y102-N105 PolarHBondContact O-N 3.27Å; Y102-L106 HydrophobicContact CD1-CD1 4.4Å; Y102-L106 HydrophobicContact CE1-CD1 3.73Å; Y102-L106 HydrophobicContact CE1-CG 4.42Å; Y102-L106 HydrophobicContact CE2-CD1 4.22Å; Y102-L106 HydrophobicContact CE2-CD2 4.01Å; Y102-L106 HydrophobicContact CE2-CG 4.19Å; Y102-L106 WeakPolarHBondContact O-CG 3.31Å; Y102-L106 PolarHBondContact O-N 3.34Å; Y102-Y157 AromaticContact CD1-CD1 3.59Å; Y102-Y157 HydrophobicContact CD1-CD1 3.59Å; Y102-Y157 HydrophobicContact CD1-CE1 4.3Å; Y102-Y157 HydrophobicContact CD1-CG 4.37Å; Y102-Y157 HydrophobicContact CD2-CD1 4.05Å; Y102-Y157 AromaticContact CE1-CD1 4Å; Y102-Y157 HydrophobicContact CE1-CD1 4Å; Y102-Y157 VanDerWaalsContact CE1-O 3.31Å; Y102-Y157 WeakPolarHBondContact CE1-O 3.48Å; Y102-Y157 HydrophobicContact CE2-CD1 4.43Å; Y102-Y157 AromaticContact CG-CD1 3.6Å; Y102-Y157 HydrophobicContact CG-CD1 3.6Å; Y102-Y157 AromaticContact CG-CE1 3.99Å; Y102-Y157 HydrophobicContact CG-CE1 3.99Å; Y102-A160 HydrophobicContact CD1-CB 4.16Å; Y102-A160 HydrophobicContact CE1-CB 4.27Å; Y102-C161 HydrophobicContact CE1-CB 4.15Å
103S98.9Very high98.6Very high22 Ų2250.2 Ų50.215%0.15425%0.251CS..Hα-helixtrans-61.8-40.9178.3-57.30000112.5L99 Q100 E101 K107L99-S103 PolarHBondContact O-N 3.35Å; L99-S103 VanDerWaalsContact O-N 3.11Å; L99-S103 PolarHBondContact O-OG 2.88Å; Q100-S103 WeakPolarHBondContact O-CB 3.43Å; Q100-S103 PolarHBondContact O-N 3.2Å; E101-S103 VanDerWaalsContact C-N 3.3Å; E101-S103 PolarHBondContact O-N 2.89Å; S103-K107 WeakPolarHBondContact O-CG 3.44Å; S103-K107 PolarHBondContact O-N 2.95Å
104E98.9Very high98.5Very high86 Ų8647.8 Ų47.840%0.40224%0.243SC..Hα-helixtrans-67.3-40.2176-70.1170.7-173.200111.5Q100 E101 Y102 L106 K107 D108Q100-E104 WeakPolarHBondContact CG-OE1 3.1Å; Q100-E104 PolarHBondContact NE2-OE1 2.9Å; Q100-E104 WeakPolarHBondContact O-CG 3.5Å; Q100-E104 PolarHBondContact O-N 2.86Å; E101-E104 PolarHBondContact O-N 3.32Å; Y102-E104 VanDerWaalsContact C-N 3.34Å; Y102-E104 PolarHBondContact O-N 3.08Å; E104-L106 PolarHBondContact O-N 2.82Å; E104-K107 PolarHBondContact O-N 2.92Å; E104-D108 PolarHBondContact O-N 2.95Å
105N98.9Very high98.3Very high0 Ų044.7 Ų44.70%024%0.238CC..Hα-helixtrans-61.4-41.4177-67.6-21.5000111.9S53 R54 K57 E101 Y102 K107 D108 I109S53-N105 PolarHBondContact OG-ND2 3.07Å; R54-N105 WeakPolarHBondContact CA-ND2 3.25Å; R54-N105 PolarHBondContact N-ND2 3.29Å; K57-N105 HydrophobicContact CD-CB 4.27Å; K57-N105 VanDerWaalsContact CD-OD1 3.31Å; K57-N105 WeakPolarHBondContact CD-OD1 3.31Å; K57-N105 WeakPolarHBondContact CE-OD1 3.45Å; K57-N105 PolarHBondContact NZ-OD1 2.55Å; E101-N105 WeakPolarHBondContact O-CB 3.38Å; E101-N105 PolarHBondContact O-N 3.11Å; E101-N105 PolarHBondContact O-ND2 3.29Å; E101-N105 PolarHBondContact O-OD1 2.96Å; E101-N105 PolarHBondContact OE1-ND2 2.81Å; Y102-N105 WeakPolarHBondContact O-CB 3.22Å; Y102-N105 PolarHBondContact O-N 3.27Å; N105-K107 VanDerWaalsContact C-N 3.34Å; N105-K107 PolarHBondContact O-N 3.3Å; N105-D108 PolarHBondContact O-N 3.3Å; N105-I109 WeakPolarHBondContact O-CG1 3.44Å; N105-I109 PolarHBondContact O-N 3.16Å
106L98.9Very high98.1Very high1 Ų143.8 Ų43.81%0.00523%0.234CC..Hα-helixtrans-62.6-40.6175.6-63.3-175.8000112V79 Y102 E104 I109 V110 F125 C161 A164V79-L106 HydrophobicContact CG1-CD2 4.41Å; Y102-L106 HydrophobicContact CD1-CD1 4.4Å; Y102-L106 HydrophobicContact CE1-CD1 3.73Å; Y102-L106 HydrophobicContact CE1-CG 4.42Å; Y102-L106 HydrophobicContact CE2-CD1 4.22Å; Y102-L106 HydrophobicContact CE2-CD2 4.01Å; Y102-L106 HydrophobicContact CE2-CG 4.19Å; Y102-L106 WeakPolarHBondContact O-CG 3.31Å; Y102-L106 PolarHBondContact O-N 3.34Å; E104-L106 PolarHBondContact O-N 2.82Å; L106-I109 WeakPolarHBondContact O-CB 3.09Å; L106-I109 PolarHBondContact O-N 2.67Å; L106-V110 PolarHBondContact O-N 3.29Å; L106-F125 HydrophobicContact CB-CE1 3.82Å; L106-F125 HydrophobicContact CB-CZ 3.95Å; L106-F125 HydrophobicContact CD1-CD1 4.46Å; L106-F125 HydrophobicContact CD1-CE1 4.26Å; L106-F125 HydrophobicContact CD2-CD1 4.29Å; L106-F125 HydrophobicContact CD2-CE1 3.8Å; L106-F125 HydrophobicContact CG-CE1 4.15Å; L106-C161 HydrophobicContact CD1-CB 3.96Å; L106-A164 HydrophobicContact CB-CB 4.16Å; L106-A164 HydrophobicContact CD1-CB 4.06Å
107K98.9Very high97.9Very high73 Ų7344.8 Ų44.832%0.31725%0.251SS..Hα-helixtrans-67.3-40.7176.6-65.5167.5-175178.20111.8S103 E104 N105 I109 V110 K111S103-K107 WeakPolarHBondContact O-CG 3.44Å; S103-K107 PolarHBondContact O-N 2.95Å; E104-K107 PolarHBondContact O-N 2.92Å; N105-K107 VanDerWaalsContact C-N 3.34Å; N105-K107 PolarHBondContact O-N 3.3Å; K107-I109 VanDerWaalsContact C-N 3.29Å; K107-I109 PolarHBondContact O-N 3.42Å; K107-V110 PolarHBondContact O-N 3Å; K107-K111 WeakPolarHBondContact O-CB 3.42Å; K107-K111 PolarHBondContact O-N 3.36Å
108D98.8Very high97.7Very high66 Ų6644.9 Ų44.935%0.35325%0.252SS..Hα-helixtrans-60.2-40.1174.7-78.5-18000111.4K57 E104 N105 K111 H112K57-D108 HydrophobicContact CD-CB 4.06Å; K57-D108 IonicContact NZ-OD2 2.73Å; K57-D108 PolarHBondContact NZ-OD2 2.86Å; E104-D108 PolarHBondContact O-N 2.95Å; N105-D108 PolarHBondContact O-N 3.3Å; D108-K111 PolarHBondContact O-N 3.19Å; D108-H112 PolarHBondContact O-N 2.67Å
109I98.8Very high97.5Very high0 Ų044.4 Ų44.40%025%0.25CC..Hα-helixtrans-59.6-50.1174.9-73.7165.1000110.7F15 A56 K57 L60 V79 N105 L106 K107 K111 H112 L113F15-I109 HydrophobicContact CE1-CD1 4.37Å; A56-I109 HydrophobicContact CB-CD1 4.25Å; K57-I109 HydrophobicContact CB-CG1 4.02Å; L60-I109 HydrophobicContact CD2-CB 4.1Å; L60-I109 HydrophobicContact CD2-CG1 4.05Å; L60-I109 HydrophobicContact CD2-CG2 3.8Å; V79-I109 HydrophobicContact CG1-CD1 4.23Å; V79-I109 HydrophobicContact CG1-CG2 4.17Å; V79-I109 HydrophobicContact CG2-CG2 3.86Å; N105-I109 WeakPolarHBondContact O-CG1 3.44Å; N105-I109 PolarHBondContact O-N 3.16Å; L106-I109 WeakPolarHBondContact O-CB 3.09Å; L106-I109 PolarHBondContact O-N 2.67Å; K107-I109 VanDerWaalsContact C-N 3.29Å; K107-I109 PolarHBondContact O-N 3.42Å; I109-K111 VanDerWaalsContact C-N 3.33Å; I109-K111 PolarHBondContact O-N 3.39Å; I109-H112 PolarHBondContact O-N 2.72Å; I109-L113 HydrophobicContact CG2-CD1 4.04Å; I109-L113 WeakPolarHBondContact O-CG 3.31Å; I109-L113 PolarHBondContact O-N 3.42Å
110V98.5Very high97.5Very high13 Ų1342.8 Ų42.88%0.07925%0.245CC..Hα-helixtrans-62.3-42.3177.8175.60000111.3L106 K107 H112 L113 G114 A120 V123 F125 C168L106-V110 PolarHBondContact O-N 3.29Å; K107-V110 PolarHBondContact O-N 3Å; V110-H112 VanDerWaalsContact C-N 3.32Å; V110-H112 PolarHBondContact O-N 3.44Å; V110-L113 PolarHBondContact O-N 2.58Å; V110-G114 PolarHBondContact O-N 2.9Å; V110-A120 HydrophobicContact CG1-CB 4.2Å; V110-V123 HydrophobicContact CG2-CG1 4.21Å; V110-F125 HydrophobicContact CG2-CE2 3.61Å; V110-F125 HydrophobicContact CG2-CZ 3.46Å; V110-F125 VanDerWaalsContact CG2-CZ 3.46Å; V110-C168 HydrophobicContact CB-CB 4.34Å; V110-C168 HydrophobicContact CG1-CB 4.06Å; V110-C168 HydrophobicContact CG2-CB 4.12Å
111K98.3Very high97.3Very high160 Ų16040.6 Ų40.670%0.69624%0.238SC*.Hα-helixtrans-59.2-43.9177.4-178-179.2176.9-176.80111.6K107 D108 I109 G114 S115K107-K111 WeakPolarHBondContact O-CB 3.42Å; K107-K111 PolarHBondContact O-N 3.36Å; D108-K111 PolarHBondContact O-N 3.19Å; I109-K111 VanDerWaalsContact C-N 3.33Å; I109-K111 PolarHBondContact O-N 3.39Å; K111-G114 PolarHBondContact O-N 2.96Å; K111-S115 PolarHBondContact O-N 3.49Å; K111-S115 VanDerWaalsContact O-N 3.08Å
112H97.7Very high97.3Very high36 Ų3641.2 Ų41.217%0.16724%0.24CC..Hα-helixtrans-63.1-48.2175.2176.776.9000111.4L60 I64 D108 I109 V110 G114 S115 V116L60-H112 HydrophobicContact CD2-CB 4.01Å; L60-H112 VanDerWaalsContact CG-CD2 3.48Å; L60-H112 WeakPolarHBondContact CG-CD2 3.4Å; I64-H112 PolarHBondContact O-NE2 2.91Å; D108-H112 PolarHBondContact O-N 2.67Å; I109-H112 PolarHBondContact O-N 2.72Å; V110-H112 VanDerWaalsContact C-N 3.32Å; V110-H112 PolarHBondContact O-N 3.44Å; H112-G114 VanDerWaalsContact C-N 3.29Å; H112-G114 PolarHBondContact O-N 3.36Å; H112-S115 WeakPolarHBondContact O-CA 3.39Å; H112-S115 WeakPolarHBondContact O-CB 3.12Å; H112-S115 PolarHBondContact O-N 3.19Å; H112-S115 PolarHBondContact O-OG 3.28Å; H112-V116 PolarHBondContact O-N 3.36Å
113L97.1Very high97.2Very high0 Ų041.2 Ų41.20%024%0.24CC..Hα-helixtrans-54.5-45176.8-73.2175.7000111.6L60 I64 V77 V79 I109 V110 S115 V116 G117 V118 V123L60-L113 HydrophobicContact CD1-CD2 4.38Å; L60-L113 HydrophobicContact CD2-CG 4.4Å; I64-L113 HydrophobicContact CB-CD2 4.5Å; I64-L113 HydrophobicContact CD1-CD2 3.88Å; I64-L113 HydrophobicContact CG2-CD2 4.14Å; V77-L113 HydrophobicContact CB-CD1 4.33Å; V77-L113 HydrophobicContact CG1-CD1 4.12Å; V77-L113 HydrophobicContact CG1-CD2 4.44Å; V77-L113 HydrophobicContact CG2-CD2 4.31Å; V79-L113 HydrophobicContact CG2-CD1 4.44Å; I109-L113 HydrophobicContact CG2-CD1 4.04Å; I109-L113 WeakPolarHBondContact O-CG 3.31Å; I109-L113 PolarHBondContact O-N 3.42Å; V110-L113 PolarHBondContact O-N 2.58Å; L113-S115 VanDerWaalsContact C-N 3.33Å; L113-S115 PolarHBondContact O-N 3.23Å; L113-V116 WeakPolarHBondContact O-CG2 3.46Å; L113-V116 PolarHBondContact O-N 2.92Å; L113-G117 PolarHBondContact O-N 3.21Å; L113-V118 CarbonylContact C-O 3.54Å; L113-V118 VanDerWaalsContact C-O 3.24Å; L113-V118 HydrophobicContact CB-CB 4.03Å; L113-V118 HydrophobicContact CB-CG1 4.34Å; L113-V118 HydrophobicContact CD2-CB 4.45Å; L113-V118 HydrophobicContact CD2-CG2 4.49Å; L113-V118 WeakPolarHBondContact O-CB 3.49Å; L113-V118 PolarHBondContact O-N 2.89Å; L113-V123 HydrophobicContact CD1-CG1 4.39Å; L113-V123 HydrophobicContact CD1-CG2 3.71Å
114G96.3Very high97.2Very high43 Ų4340.1 Ų40.144%0.44323%0.233SC..Hα-helixtrans-59.4-40.5173.800000113.2V110 K111 H112 V116 G117 V118V110-G114 PolarHBondContact O-N 2.9Å; K111-G114 PolarHBondContact O-N 2.96Å; H112-G114 VanDerWaalsContact C-N 3.29Å; H112-G114 PolarHBondContact O-N 3.36Å; G114-V116 PolarHBondContact O-N 3.17Å; G114-G117 PolarHBondContact O-N 3.09Å; G114-V118 VanDerWaalsContact CA-O 3.25Å; G114-V118 WeakPolarHBondContact CA-O 3.36Å; G114-V118 PolarHBondContact N-O 3.19Å
115S94.9Very high97.2Very high79 Ų7936 Ų3655%0.55221%0.213SC*.Hα-helixtrans-65.4-21.917981.60000114.1K111 H112 L113K111-S115 PolarHBondContact O-N 3.49Å; K111-S115 VanDerWaalsContact O-N 3.08Å; H112-S115 WeakPolarHBondContact O-CA 3.39Å; H112-S115 WeakPolarHBondContact O-CB 3.12Å; H112-S115 PolarHBondContact O-N 3.19Å; H112-S115 PolarHBondContact O-OG 3.28Å; L113-S115 VanDerWaalsContact C-N 3.33Å; L113-S115 PolarHBondContact O-N 3.23Å
116V94.1Very high97.2Very high11 Ų1136 Ų367%0.06721%0.213CC..THydrogen-bonded Turntrans-104.611.4177.9-57.60000113.3I64 K66 H112 L113 G114I64-V116 HydrophobicContact CG2-CG2 4.09Å; K66-V116 HydrophobicContact CB-CB 4.45Å; K66-V116 HydrophobicContact CB-CG1 4.29Å; H112-V116 PolarHBondContact O-N 3.36Å; L113-V116 WeakPolarHBondContact O-CG2 3.46Å; L113-V116 PolarHBondContact O-N 2.92Å; G114-V116 PolarHBondContact O-N 3.17Å
117G93.2Very high97.2Very high46 Ų4636 Ų3647%0.47421%0.213SC..THydrogen-bonded Turntrans959172.800000115.7L113 G114L113-G117 PolarHBondContact O-N 3.21Å; G114-G117 PolarHBondContact O-N 3.09Å
118V95.6Very high97.2Very high2 Ų232.6 Ų32.61%0.01220%0.198CC..  trans-96.6102173.2-177.40000108.7I74 V77 L113 G114 K122 V123I74-V118 HydrophobicContact CB-CG2 4.02Å; I74-V118 HydrophobicContact CD1-CG2 3.56Å; I74-V118 HydrophobicContact CG1-CG2 4.38Å; I74-V118 HydrophobicContact CG2-CG1 4.34Å; I74-V118 HydrophobicContact CG2-CG2 3.97Å; V77-V118 HydrophobicContact CG2-CG1 3.88Å; L113-V118 CarbonylContact C-O 3.54Å; L113-V118 VanDerWaalsContact C-O 3.24Å; L113-V118 HydrophobicContact CB-CB 4.03Å; L113-V118 HydrophobicContact CB-CG1 4.34Å; L113-V118 HydrophobicContact CD2-CB 4.45Å; L113-V118 HydrophobicContact CD2-CG2 4.49Å; L113-V118 WeakPolarHBondContact O-CB 3.49Å; L113-V118 PolarHBondContact O-N 2.89Å; G114-V118 VanDerWaalsContact CA-O 3.25Å; G114-V118 WeakPolarHBondContact CA-O 3.36Å; G114-V118 PolarHBondContact N-O 3.19Å; V118-K122 HydrophobicContact CG1-CB 3.92Å; V118-V123 HydrophobicContact CG1-CG2 4.33Å
119S95.3Very high97.2Very high48 Ų4829.7 Ų29.734%0.33618%0.183SC..  trans-65.3154.8177.955.10000112.1D121 K122S119-D121 WeakPolarHBondContact CB-OD1 3.47Å; S119-D121 PolarHBondContact O-N 3.5Å; S119-D121 PolarHBondContact OG-OD1 3.47Å; S119-K122 WeakPolarHBondContact O-CB 3.01Å; S119-K122 PolarHBondContact O-N 2.99Å
120A97.3Very high97.2Very high28 Ų2829.8 Ų29.823%0.23118%0.184CC..G310 helixtrans-60.7-31.5-174.200000113.3V110 K122 V123 C168V110-A120 HydrophobicContact CG1-CB 4.2Å; A120-K122 PolarHBondContact O-N 3.23Å; A120-V123 WeakPolarHBondContact O-CB 3.47Å; A120-V123 PolarHBondContact O-N 2.9Å; A120-C168 VanDerWaalsContact CB-O 3.22Å; A120-C168 WeakPolarHBondContact CB-O 3.32Å
121D95.9Very high97.2Very high94 Ų9429.4 Ų29.450%0.50318%0.182SC..G310 helixtrans-65.2-15.5174.864.3-72000113.3S119 R215S119-D121 WeakPolarHBondContact CB-OD1 3.47Å; S119-D121 PolarHBondContact O-N 3.5Å; S119-D121 PolarHBondContact OG-OD1 3.47Å; D121-R215 VanDerWaalsContact O-CZ 3.26Å; D121-R215 PolarHBondContact O-NE 3.35Å; D121-R215 PolarHBondContact O-NH2 2.93Å
122K97.2Very high97.2Very high57 Ų5724.5 Ų24.525%0.24816%0.161CC..G310 helixtrans-90.1-7.4172.1-63.4-178.1173.6-172.50112.9I74 A76 V77 V118 S119 A120I74-K122 WeakPolarHBondContact O-CD 3.4Å; I74-K122 PolarHBondContact O-NZ 3.28Å; A76-K122 CarbonylContact C-O 3.6Å; A76-K122 VanDerWaalsContact CA-O 3.25Å; A76-K122 WeakPolarHBondContact CA-O 3.37Å; V77-K122 PolarHBondContact N-O 3.39Å; V118-K122 HydrophobicContact CG1-CB 3.92Å; S119-K122 WeakPolarHBondContact O-CB 3.01Å; S119-K122 PolarHBondContact O-N 2.99Å; A120-K122 PolarHBondContact O-N 3.23Å
123V98.6Very high97.3Very high0 Ų025.8 Ų25.80%017%0.167CC..EExtended strand (participates in β ladder)trans-92.4130.8179.1-174.20000109.5V77 V79 V110 L113 V118 A120 F125 A170 D171V77-V123 WeakPolarHBondContact O-CA 3.29Å; V79-V123 HydrophobicContact CG2-CG1 3.96Å; V110-V123 HydrophobicContact CG2-CG1 4.21Å; L113-V123 HydrophobicContact CD1-CG1 4.39Å; L113-V123 HydrophobicContact CD1-CG2 3.71Å; V118-V123 HydrophobicContact CG1-CG2 4.33Å; A120-V123 WeakPolarHBondContact O-CB 3.47Å; A120-V123 PolarHBondContact O-N 2.9Å; V123-F125 HydrophobicContact CG1-CD2 4.45Å; V123-F125 HydrophobicContact CG1-CE2 4.27Å; V123-A170 HydrophobicContact CB-CB 4.03Å; V123-A170 HydrophobicContact CG1-CB 4.32Å; V123-D171 PolarHBondContact O-N 3.38Å
124I98.9Very high97.3Very high0 Ų029.2 Ų29.20%019%0.189CC..EExtended strand (participates in β ladder)trans-121110.8173.4-57.9166.6000107.5V77 T78 V79 D171 L208 L211 L212V77-I124 PolarHBondContact O-N 3.17Å; T78-I124 CarbonylContact C-O 3.55Å; T78-I124 WeakPolarHBondContact CA-O 3.4Å; V79-I124 PolarHBondContact N-O 2.92Å; I124-D171 WeakPolarHBondContact CA-O 3.44Å; I124-D171 HydrophobicContact CG1-CB 4.31Å; I124-L208 HydrophobicContact CD1-CD1 4.17Å; I124-L208 HydrophobicContact CG2-CD1 3.96Å; I124-L211 HydrophobicContact CD1-CB 3.87Å; I124-L211 HydrophobicContact CG2-CD1 3.64Å; I124-L212 HydrophobicContact CD1-CD2 3.68Å; I124-L212 HydrophobicContact CD1-CG 4.11Å
125F98.9Very high97.5Very high0 Ų028.3 Ų28.30%018%0.177CC..EExtended strand (participates in β ladder)trans-74.5144.6168.7-75.9-73.6000110.5V79 L106 V110 V123 A165 A170 D171 V172 L173V79-F125 HydrophobicContact CB-CD1 3.66Å; V79-F125 HydrophobicContact CB-CE1 3.74Å; V79-F125 HydrophobicContact CG1-CD1 3.86Å; V79-F125 HydrophobicContact CG1-CE1 3.64Å; V79-F125 HydrophobicContact CG2-CE1 4.31Å; V79-F125 WeakPolarHBondContact O-CA 3.25Å; L106-F125 HydrophobicContact CB-CE1 3.82Å; L106-F125 HydrophobicContact CB-CZ 3.95Å; L106-F125 HydrophobicContact CD1-CD1 4.46Å; L106-F125 HydrophobicContact CD1-CE1 4.26Å; L106-F125 HydrophobicContact CD2-CD1 4.29Å; L106-F125 HydrophobicContact CD2-CE1 3.8Å; L106-F125 HydrophobicContact CG-CE1 4.15Å; V110-F125 HydrophobicContact CG2-CE2 3.61Å; V110-F125 HydrophobicContact CG2-CZ 3.46Å; V110-F125 VanDerWaalsContact CG2-CZ 3.46Å; V123-F125 HydrophobicContact CG1-CD2 4.45Å; V123-F125 HydrophobicContact CG1-CE2 4.27Å; F125-A165 HydrophobicContact CB-CB 4.22Å; F125-A165 HydrophobicContact CD2-CB 3.46Å; F125-A165 VanDerWaalsContact CD2-CB 3.46Å; F125-A165 HydrophobicContact CE2-CB 4.17Å; F125-A165 HydrophobicContact CG-CB 4.17Å; F125-A170 HydrophobicContact CD2-CB 3.92Å; F125-A170 HydrophobicContact CE2-CB 3.93Å; F125-D171 PolarHBondContact N-O 3.11Å; F125-V172 HydrophobicContact CB-CB 4.33Å; F125-V172 HydrophobicContact CB-CG2 4.1Å; F125-V172 CarbonylContact O-C 3.57Å; F125-V172 WeakPolarHBondContact O-CA 3.43Å; F125-L173 PolarHBondContact O-N 3.33Å
126I98.9Very high97.6Very high0 Ų025.2 Ų25.20%015%0.154CC..EExtended strand (participates in β ladder)trans-122.1120.7170.3-52.4-179.8000106.5T78 V79 F80 L173 L175 L208T78-I126 HydrophobicContact CG2-CD1 4.28Å; V79-I126 PolarHBondContact O-N 3.46Å; F80-I126 HydrophobicContact CB-CB 3.96Å; F80-I126 HydrophobicContact CB-CD1 4.31Å; F80-I126 HydrophobicContact CB-CG1 4.46Å; F80-I126 HydrophobicContact CD1-CB 4.01Å; F80-I126 HydrophobicContact CD1-CD1 3.91Å; F80-I126 HydrophobicContact CD1-CG2 3.85Å; F80-I126 HydrophobicContact CD2-CB 3.69Å; F80-I126 HydrophobicContact CD2-CG2 3.68Å; F80-I126 WeakPolarHBondContact CD2-O 3.4Å; F80-I126 HydrophobicContact CE1-CB 4.4Å; F80-I126 HydrophobicContact CE1-CD1 4.46Å; F80-I126 HydrophobicContact CE1-CG2 3.72Å; F80-I126 HydrophobicContact CE2-CB 4.12Å; F80-I126 HydrophobicContact CE2-CG2 3.57Å; F80-I126 HydrophobicContact CG-CB 3.63Å; F80-I126 HydrophobicContact CG-CD1 4.23Å; F80-I126 HydrophobicContact CG-CG1 4.43Å; F80-I126 HydrophobicContact CG-CG2 3.83Å; F80-I126 HydrophobicContact CZ-CB 4.46Å; F80-I126 HydrophobicContact CZ-CG2 3.59Å; I126-L173 HydrophobicContact CG1-CB 4.34Å; I126-L173 HydrophobicContact CG2-CB 4.5Å; I126-L173 HydrophobicContact CG2-CD2 4.33Å; I126-L175 HydrophobicContact CG2-CD1 3.31Å; I126-L175 HydrophobicContact CG2-CG 3.67Å; I126-L208 HydrophobicContact CD1-CD1 4.33Å; I126-L208 HydrophobicContact CD1-CD2 4.42Å
127T98.9Very high97.8Very high0 Ų029 Ų290%017%0.171CC..PPolyproline II helixtrans-69.1151-18066.50000110.4F80 A158 C161 V162 V172 L173 D174 L175 W176F80-T127 WeakPolarHBondContact CE2-O 3.35Å; T127-A158 HydrophobicContact CG2-CB 4.29Å; T127-C161 HydrophobicContact CG2-CB 3.99Å; T127-V162 HydrophobicContact CG2-CG2 3.8Å; T127-V172 HydrophobicContact CG2-CG2 3.84Å; T127-L173 PolarHBondContact N-O 3.2Å; T127-L173 VanDerWaalsContact N-O 3.09Å; T127-D174 HydrophobicContact CG2-CB 4.2Å; T127-D174 WeakPolarHBondContact OG1-CA 3.21Å; T127-D174 PolarHBondContact OG1-OD1 3.13Å; T127-L175 PolarHBondContact OG1-N 3.45Å; T127-W176 PolarHBondContact OG1-N 3.42Å
128P98.8Very high98.1Very high1 Ų133.7 Ų33.71%0.00618%0.178CC..PPolyproline II helixtrans-53.5138.5170.623.1-33.9000110A83 A158 W176A83-P128 HydrophobicContact CB-CB 4.28Å; P128-A158 HydrophobicContact CG-CB 4.25Å; P128-W176 WeakPolarHBondContact O-CB 3.39Å
129P98.4Very high98.2Very high6 Ų636.3 Ų36.34%0.03919%0.19CC..PPolyproline II helixtrans-65.7168176.331.1-36.1000110.7I19 M179 L190I19-P129 HydrophobicContact CD1-CG 3.87Å; P129-M179 HydrophobicContact CB-SD 4.22Å; P129-L190 HydrophobicContact CB-CD2 4.39Å
130P98.5Very high98.3Very high1 Ų134.1 Ų34.11%0.00618%0.175CC..PPolyproline II helixtrans-58.6153.1167.1-16.931.5000111N151 W176 M179 Q180 F186 L190P130-N151 VanDerWaalsContact CA-OD1 3.28Å; P130-N151 WeakPolarHBondContact CA-OD1 3.32Å; P130-W176 HydrophobicContact CG-CG 4.48Å; P130-M179 HydrophobicContact CG-CB 3.91Å; P130-Q180 HydrophobicContact CB-CG 4.17Å; P130-Q180 HydrophobicContact CG-CG 3.7Å; P130-F186 HydrophobicContact CB-CB 4.46Å; P130-F186 HydrophobicContact CB-CD1 4.29Å; P130-F186 HydrophobicContact CB-CD2 3.57Å; P130-F186 HydrophobicContact CB-CE1 4.4Å; P130-F186 HydrophobicContact CB-CE2 3.71Å; P130-F186 HydrophobicContact CB-CG 3.86Å; P130-F186 HydrophobicContact CB-CZ 4.11Å; P130-F186 HydrophobicContact CG-CB 4.22Å; P130-F186 HydrophobicContact CG-CD2 4.22Å; P130-F186 HydrophobicContact CG-CG 4.15Å; P130-L190 VanDerWaalsContact O-CD1 3.27Å; P130-L190 WeakPolarHBondContact O-CD1 3.27Å
131L98.6Very high98.3Very high6 Ų637.3 Ų37.33%0.03119%0.191CC..  trans-106.2129.3176.5-174.990.5000109.8E133 W136 R149 N151 G193 L194L131-E133 HydrophobicContact CD2-CG 3.78Å; L131-E133 PolarHBondContact O-N 3.47Å; L131-W136 HydrophobicContact CD1-CB 4.21Å; L131-W136 HydrophobicContact CD1-CG 3.98Å; L131-R149 HydrophobicContact CD1-CB 4.12Å; L131-R149 VanDerWaalsContact CD2-C 3.41Å; L131-R149 HydrophobicContact CD2-CB 3.54Å; L131-R149 VanDerWaalsContact CD2-O 3.29Å; L131-R149 WeakPolarHBondContact CD2-O 3.23Å; L131-R149 HydrophobicContact CG-CB 4.49Å; L131-N151 HydrophobicContact CB-CB 4.19Å; L131-N151 PolarHBondContact N-OD1 3.29Å; L131-N151 WeakPolarHBondContact O-CB 3.48Å; L131-G193 WeakPolarHBondContact CD1-O 3.28Å; L131-L194 HydrophobicContact CD1-CB 4.19Å; L131-L194 HydrophobicContact CD1-CD1 3.57Å
132H98.6Very high98.4Very high57 Ų5739.3 Ų39.326%0.26420%0.201SC..  trans-94.792.5169.1-176.4-123.8000109.9A135 W136 F186 T187 L190 G193H132-A135 WeakPolarHBondContact ND1-CB 3.33Å; H132-A135 PolarHBondContact O-N 3.2Å; H132-A135 VanDerWaalsContact O-N 3.13Å; H132-W136 PolarHBondContact O-N 2.91Å; H132-F186 HydrophobicContact CB-CE2 3.95Å; H132-T187 HydrophobicContact CB-CG2 4.32Å; H132-T187 VanDerWaalsContact CD2-CG2 3.44Å; H132-T187 WeakPolarHBondContact CD2-CG2 3.34Å; H132-L190 HydrophobicContact CB-CD1 3.99Å; H132-G193 PolarHBondContact N-O 3.42Å
133E98.6Very high98.3Very high63 Ų6343.1 Ų43.129%0.29422%0.218SC..Hα-helixtrans-51.2-46.6-173.5-66.8167.9-171.400114L131 A135 W136 E137 L147 L150 N151L131-E133 HydrophobicContact CD2-CG 3.78Å; L131-E133 PolarHBondContact O-N 3.47Å; E133-A135 VanDerWaalsContact C-N 3.32Å; E133-A135 PolarHBondContact O-N 2.83Å; E133-W136 PolarHBondContact O-N 3.45Å; E133-E137 WeakPolarHBondContact O-CB 3.41Å; E133-E137 PolarHBondContact O-N 3.25Å; E133-L147 HydrophobicContact CB-CD1 4.45Å; E133-L147 HydrophobicContact CB-CD2 4.15Å; E133-L147 HydrophobicContact CG-CD2 4.38Å; E133-L150 HydrophobicContact CG-CD2 4.41Å; E133-L150 WeakPolarHBondContact OE1-CA 3.49Å; E133-L150 WeakPolarHBondContact OE1-CB 3.44Å; E133-N151 PolarHBondContact OE1-N 3.43Å
134P98.5Very high98.1Very high71 Ų7146.8 Ų46.846%0.46126%0.256SS..Hα-helixtrans-66-29.5-179-2335.1000114.7K138P134-K138 WeakPolarHBondContact O-CG 3.45Å
135A98.5Very high98Very high24 Ų2448.9 Ų48.920%0.19827%0.27CS..Hα-helixtrans-78-43.7174.500000110.5H132 E133 E137 K138 E139 D192H132-A135 WeakPolarHBondContact ND1-CB 3.33Å; H132-A135 PolarHBondContact O-N 3.2Å; H132-A135 VanDerWaalsContact O-N 3.13Å; E133-A135 VanDerWaalsContact C-N 3.32Å; E133-A135 PolarHBondContact O-N 2.83Å; A135-E137 VanDerWaalsContact C-N 3.34Å; A135-E137 PolarHBondContact O-N 2.74Å; A135-K138 WeakPolarHBondContact O-CB 3.29Å; A135-K138 PolarHBondContact O-N 3.07Å; A135-E139 PolarHBondContact O-N 3.21Å; A135-D192 CarbonylContact C-O 3.24Å; A135-D192 VanDerWaalsContact C-O 3.29Å
136W98.6Very high97.8Very high14 Ų1451.7 Ų51.75%0.05329%0.294CS..Hα-helixtrans-65.5-36.5-179.9-175.8-118.7000112.7L131 H132 E133 K138 E139 C140 N148 D192 L194L131-W136 HydrophobicContact CD1-CB 4.21Å; L131-W136 HydrophobicContact CD1-CG 3.98Å; H132-W136 PolarHBondContact O-N 2.91Å; E133-W136 PolarHBondContact O-N 3.45Å; W136-K138 VanDerWaalsContact C-N 3.25Å; W136-K138 PolarHBondContact O-N 2.84Å; W136-E139 HydrophobicContact CE3-CB 3.97Å; W136-E139 HydrophobicContact CE3-CG 4.25Å; W136-E139 HydrophobicContact CZ3-CB 4.06Å; W136-E139 HydrophobicContact CZ3-CG 4.4Å; W136-E139 WeakPolarHBondContact O-CB 3.5Å; W136-E139 PolarHBondContact O-N 2.88Å; W136-E139 VanDerWaalsContact O-N 3.13Å; W136-C140 PolarHBondContact NE1-SG 3.39Å; W136-C140 VanDerWaalsContact NE1-SG 3.39Å; W136-C140 PolarHBondContact O-N 2.98Å; W136-C140 PolarHBondContact O-SG 3.13Å; W136-N148 PolarHBondContact NE1-OD1 2.76Å; W136-D192 WeakPolarHBondContact CA-O 3.46Å; W136-D192 PolarHBondContact N-O 2.78Å; W136-L194 HydrophobicContact CD2-CB 3.96Å; W136-L194 HydrophobicContact CD2-CD2 4.49Å; W136-L194 HydrophobicContact CE3-CB 3.48Å; W136-L194 VanDerWaalsContact CE3-CB 3.48Å; W136-L194 HydrophobicContact CE3-CD2 4.19Å; W136-L194 HydrophobicContact CE3-CG 4.45Å; W136-L194 HydrophobicContact CH2-CB 4.29Å; W136-L194 HydrophobicContact CH2-CD2 3.42Å; W136-L194 VanDerWaalsContact CH2-CD2 3.42Å; W136-L194 HydrophobicContact CH2-CG 4.48Å; W136-L194 HydrophobicContact CZ2-CD2 3.77Å; W136-L194 HydrophobicContact CZ3-CB 3.67Å; W136-L194 HydrophobicContact CZ3-CD2 3.66Å; W136-L194 HydrophobicContact CZ3-CG 4.32Å
137E98.6Very high97.8Very high92 Ų9253.1 Ų53.143%0.4330%0.301SS..Hα-helixtrans-58.2-38.4175.3-176169.7-128.900111.9E133 A135 E139 C140 V141 L147E133-E137 WeakPolarHBondContact O-CB 3.41Å; E133-E137 PolarHBondContact O-N 3.25Å; A135-E137 VanDerWaalsContact C-N 3.34Å; A135-E137 PolarHBondContact O-N 2.74Å; E137-E139 VanDerWaalsContact C-N 3.34Å; E137-E139 PolarHBondContact O-N 3.38Å; E137-C140 WeakPolarHBondContact O-CB 3.36Å; E137-C140 PolarHBondContact O-N 2.84Å; E137-V141 HydrophobicContact CG-CG2 4.4Å; E137-V141 WeakPolarHBondContact O-CG2 3.1Å; E137-V141 PolarHBondContact O-N 3.33Å; E137-L147 HydrophobicContact CB-CB 4.25Å; E137-L147 HydrophobicContact CB-CD1 4.08Å; E137-L147 HydrophobicContact CG-CB 4.1Å
138K98.5Very high97.8Very high144 Ų14453.6 Ų53.663%0.62630%0.304SS*.Hα-helixtrans-61.3-44.6176.5-64.6172.8-174.7178.40110.9P134 A135 W136 C140 V141 L142P134-K138 WeakPolarHBondContact O-CG 3.45Å; A135-K138 WeakPolarHBondContact O-CB 3.29Å; A135-K138 PolarHBondContact O-N 3.07Å; W136-K138 VanDerWaalsContact C-N 3.25Å; W136-K138 PolarHBondContact O-N 2.84Å; K138-C140 VanDerWaalsContact C-N 3.35Å; K138-V141 PolarHBondContact O-N 3.45Å; K138-L142 VanDerWaalsContact O-CG 3.29Å; K138-L142 WeakPolarHBondContact O-CG 3.3Å; K138-L142 PolarHBondContact O-N 2.84Å
139E98Very high97.8Very high56 Ų5653.7 Ų53.726%0.26230%0.304SS..Hα-helixtrans-63.5-39.9175.4-66.7-54.9129.800112.6A135 W136 E137 L142 K143 D192A135-E139 PolarHBondContact O-N 3.21Å; W136-E139 HydrophobicContact CE3-CB 3.97Å; W136-E139 HydrophobicContact CE3-CG 4.25Å; W136-E139 HydrophobicContact CZ3-CB 4.06Å; W136-E139 HydrophobicContact CZ3-CG 4.4Å; W136-E139 WeakPolarHBondContact O-CB 3.5Å; W136-E139 PolarHBondContact O-N 2.88Å; W136-E139 VanDerWaalsContact O-N 3.13Å; E137-E139 VanDerWaalsContact C-N 3.34Å; E137-E139 PolarHBondContact O-N 3.38Å; E139-L142 PolarHBondContact O-N 3.5Å; E139-K143 WeakPolarHBondContact O-CG 3.33Å; E139-K143 PolarHBondContact O-N 2.91Å; E139-D192 HydrophobicContact CG-CB 3.79Å
140C97.4Very high97.8Very high2 Ų255.8 Ų55.81%0.01431%0.314CS..Hα-helixtrans-59.8-48.2174.8-74.90000111.3W136 E137 K138 L142 K143 G144 S145 A146W136-C140 PolarHBondContact NE1-SG 3.39Å; W136-C140 VanDerWaalsContact NE1-SG 3.39Å; W136-C140 PolarHBondContact O-N 2.98Å; W136-C140 PolarHBondContact O-SG 3.13Å; E137-C140 WeakPolarHBondContact O-CB 3.36Å; E137-C140 PolarHBondContact O-N 2.84Å; K138-C140 VanDerWaalsContact C-N 3.35Å; C140-L142 PolarHBondContact O-N 3.39Å; C140-K143 CarbonylContact O-C 3.55Å; C140-K143 PolarHBondContact O-N 3.4Å; C140-K143 VanDerWaalsContact O-N 3.09Å; C140-G144 PolarHBondContact O-N 3.37Å; C140-S145 CarbonylContact C-O 3.56Å; C140-S145 VanDerWaalsContact CA-OG 3.29Å; C140-S145 WeakPolarHBondContact CA-OG 3.3Å; C140-S145 WeakPolarHBondContact CB-O 3.34Å; C140-S145 WeakPolarHBondContact CB-OG 3.22Å; C140-S145 CarbonylContact O-C 3.53Å; C140-S145 WeakPolarHBondContact O-CA 3.18Å; C140-S145 PolarHBondContact O-N 2.82Å; C140-S145 PolarHBondContact O-OG 3.4Å; C140-A146 WeakPolarHBondContact CB-O 3.47Å
141V97.8Very high97.8Very high95 Ų9557 Ų5758%0.57632%0.32SS*.Hα-helixtrans-63.5-42.3-179.61700000111E137 K138 K143 G144 S145E137-V141 HydrophobicContact CG-CG2 4.4Å; E137-V141 WeakPolarHBondContact O-CG2 3.1Å; E137-V141 PolarHBondContact O-N 3.33Å; K138-V141 PolarHBondContact O-N 3.45Å; V141-K143 PolarHBondContact O-N 2.92Å; V141-G144 PolarHBondContact O-N 3.41Å; V141-S145 WeakPolarHBondContact CA-O 3.38Å; V141-S145 PolarHBondContact N-O 2.86Å
142L97.2Very high97.8Very high137 Ų13760.1 Ų60.172%0.71734%0.343SS*.Hα-helixtrans-59.6-29.1175.3-72.2173.7000112.7K138 E139 C140K138-L142 VanDerWaalsContact O-CG 3.29Å; K138-L142 WeakPolarHBondContact O-CG 3.3Å; K138-L142 PolarHBondContact O-N 2.84Å; E139-L142 PolarHBondContact O-N 3.5Å; C140-L142 PolarHBondContact O-N 3.39Å
143K94.8Very high97.8Very high137 Ų13758.6 Ų58.660%0.59634%0.338SS*.THydrogen-bonded Turntrans-93.46.8176.7-65.5169.7-172.1163.50113.4E139 C140 V141E139-K143 WeakPolarHBondContact O-CG 3.33Å; E139-K143 PolarHBondContact O-N 2.91Å; C140-K143 CarbonylContact O-C 3.55Å; C140-K143 PolarHBondContact O-N 3.4Å; C140-K143 VanDerWaalsContact O-N 3.09Å; V141-K143 PolarHBondContact O-N 2.92Å
144G95.9Very high97.8Very high77 Ų7755.7 Ų55.779%0.79433%0.325SS*.THydrogen-bonded Turntrans75.324.217900000114.7C140 V141C140-G144 PolarHBondContact O-N 3.37Å; V141-G144 PolarHBondContact O-N 3.41Å
145S95.2Very high97.8Very high43 Ų4353 Ų5330%0.30131%0.309SS..  trans-121.2155.3178.264.60000111.9C140 V141C140-S145 CarbonylContact C-O 3.56Å; C140-S145 VanDerWaalsContact CA-OG 3.29Å; C140-S145 WeakPolarHBondContact CA-OG 3.3Å; C140-S145 WeakPolarHBondContact CB-O 3.34Å; C140-S145 WeakPolarHBondContact CB-OG 3.22Å; C140-S145 CarbonylContact O-C 3.53Å; C140-S145 WeakPolarHBondContact O-CA 3.18Å; C140-S145 PolarHBondContact O-N 2.82Å; C140-S145 PolarHBondContact O-OG 3.4Å; V141-S145 WeakPolarHBondContact CA-O 3.38Å; V141-S145 PolarHBondContact N-O 2.86Å
146A96.4Very high97.8Very high60 Ų6056.8 Ų56.850%0.49632%0.323SS..  trans-78.4168.3168.300000111.1C140 N148C140-A146 WeakPolarHBondContact CB-O 3.47Å; A146-N148 PolarHBondContact O-N 3.27Å; A146-N148 VanDerWaalsContact O-N 3.13Å
147L98.4Very high97.9Very high30 Ų3056.5 Ų56.516%0.15732%0.322CS..  trans-50.8122.7169.5-179.765000109.9E133 E137 R149 L150E133-L147 HydrophobicContact CB-CD1 4.45Å; E133-L147 HydrophobicContact CB-CD2 4.15Å; E133-L147 HydrophobicContact CG-CD2 4.38Å; E137-L147 HydrophobicContact CB-CB 4.25Å; E137-L147 HydrophobicContact CB-CD1 4.08Å; E137-L147 HydrophobicContact CG-CB 4.1Å; L147-R149 WeakPolarHBondContact CD1-O 3.35Å; L147-L150 HydrophobicContact CD2-CD2 3.99Å
148N98.3Very high97.9Very high10 Ų1052.2 Ų52.25%0.05330%0.302CS..  trans-123.37.6-168.363.720.3000113.8A87 L88 K91 N92 W136 A146A87-N148 CarbonylContact C-O 3.01Å; A87-N148 WeakPolarHBondContact CA-O 3.48Å; L88-N148 PolarHBondContact N-O 3.48Å; K91-N148 HydrophobicContact CB-CB 3.71Å; N92-N148 HydrophobicContact CB-CB 4.06Å; W136-N148 PolarHBondContact NE1-OD1 2.76Å; A146-N148 PolarHBondContact O-N 3.27Å; A146-N148 VanDerWaalsContact O-N 3.13Å
149R98.5Very high97.9Very high3 Ų349.9 Ų49.91%0.01129%0.293CS..  trans-146.3150.9178.2-73.1168.7-18078.2-8.9108.4A83 N84 A87 L131 L147A83-R149 PolarHBondContact O-NE 2.93Å; N84-R149 PolarHBondContact OD1-NH2 3Å; A87-R149 HydrophobicContact CB-CG 4.3Å; L131-R149 HydrophobicContact CD1-CB 4.12Å; L131-R149 VanDerWaalsContact CD2-C 3.41Å; L131-R149 HydrophobicContact CD2-CB 3.54Å; L131-R149 VanDerWaalsContact CD2-O 3.29Å; L131-R149 WeakPolarHBondContact CD2-O 3.23Å; L131-R149 HydrophobicContact CG-CB 4.49Å; L147-R149 WeakPolarHBondContact CD1-O 3.35Å
150L98.8Very high97.9Very high50 Ų5047.4 Ų47.426%0.26228%0.283SS..  trans-128.3145.7174.5-60.5174.5000109.6L88 E133 L147 S152 V153 A154L88-L150 HydrophobicContact CD1-CD1 4.35Å; L88-L150 HydrophobicContact CD1-CG 4.16Å; L88-L150 HydrophobicContact CD2-CD1 4.1Å; L88-L150 HydrophobicContact CD2-CG 4.21Å; E133-L150 HydrophobicContact CG-CD2 4.41Å; E133-L150 WeakPolarHBondContact OE1-CA 3.49Å; E133-L150 WeakPolarHBondContact OE1-CB 3.44Å; L147-L150 HydrophobicContact CD2-CD2 3.99Å; L150-S152 VanDerWaalsContact C-N 3.26Å; L150-S152 PolarHBondContact O-N 3.04Å; L150-V153 HydrophobicContact CB-CB 4.37Å; L150-V153 HydrophobicContact CB-CG2 4.01Å; L150-V153 HydrophobicContact CD1-CG2 4.35Å; L150-V153 PolarHBondContact O-N 2.85Å; L150-V153 VanDerWaalsContact O-N 3.16Å; L150-A154 PolarHBondContact O-N 2.8Å
151N98.6Very high98Very high25 Ų2547.4 Ų47.413%0.13428%0.283CS..Hα-helixtrans-64.3-35.3178.3-169.837.8000111.7P130 L131 E133 V153 A154 G155 W176 Q180P130-N151 VanDerWaalsContact CA-OD1 3.28Å; P130-N151 WeakPolarHBondContact CA-OD1 3.32Å; L131-N151 HydrophobicContact CB-CB 4.19Å; L131-N151 PolarHBondContact N-OD1 3.29Å; L131-N151 WeakPolarHBondContact O-CB 3.48Å; E133-N151 PolarHBondContact OE1-N 3.43Å; N151-V153 VanDerWaalsContact C-N 3.27Å; N151-V153 PolarHBondContact O-N 3.45Å; N151-A154 PolarHBondContact O-N 2.84Å; N151-G155 PolarHBondContact O-N 3.48Å; N151-W176 PolarHBondContact O-NE1 3.3Å; N151-W176 PolarHBondContact OD1-NE1 3.39Å; N151-Q180 PolarHBondContact ND2-OE1 3.37Å
152S98.5Very high98.1Very high72 Ų7244.7 Ų44.750%0.50327%0.266SS..Hα-helixtrans-62.2-36175.958.50000112.2L150 Q156L150-S152 VanDerWaalsContact C-N 3.26Å; L150-S152 PolarHBondContact O-N 3.04Å; S152-Q156 PolarHBondContact O-N 2.92Å
153V98.8Very high98.2Very high25 Ų2543.2 Ų43.215%0.15226%0.256CS..Hα-helixtrans-74.9-45.1175.4-177.70000109.6C86 L88 L150 N151 G155 Q156 Y157C86-V153 HydrophobicContact CB-CG1 4.16Å; C86-V153 WeakPolarHBondContact O-CG1 3.46Å; L88-V153 HydrophobicContact CD2-CG2 4.08Å; L150-V153 HydrophobicContact CB-CB 4.37Å; L150-V153 HydrophobicContact CB-CG2 4.01Å; L150-V153 HydrophobicContact CD1-CG2 4.35Å; L150-V153 PolarHBondContact O-N 2.85Å; L150-V153 VanDerWaalsContact O-N 3.16Å; N151-V153 VanDerWaalsContact C-N 3.27Å; N151-V153 PolarHBondContact O-N 3.45Å; V153-G155 PolarHBondContact O-N 3.16Å; V153-Q156 WeakPolarHBondContact O-CB 3.34Å; V153-Q156 PolarHBondContact O-N 3.19Å; V153-Y157 HydrophobicContact CG1-CD2 4.04Å; V153-Y157 HydrophobicContact CG1-CE2 3.66Å; V153-Y157 VanDerWaalsContact O-CD2 3.3Å; V153-Y157 WeakPolarHBondContact O-CD2 3.48Å; V153-Y157 PolarHBondContact O-N 3.19Å
154A98.8Very high98.3Very high3 Ų336.7 Ų36.73%0.02523%0.228CC..Hα-helixtrans-52.6-40.3173.600000112.3L150 N151 Q156 Y157 A158L150-A154 PolarHBondContact O-N 2.8Å; N151-A154 PolarHBondContact O-N 2.84Å; A154-Q156 VanDerWaalsContact C-N 3.35Å; A154-Q156 PolarHBondContact O-N 3.14Å; A154-Y157 PolarHBondContact O-N 3.06Å; A154-A158 PolarHBondContact O-N 3.29Å
155G98.8Very high98.5Very high13 Ų1333 Ų3313%0.13419%0.19CC..Hα-helixtrans-62-35.3174.500000114.3N151 V153 A158 Q159 W176N151-G155 PolarHBondContact O-N 3.48Å; V153-G155 PolarHBondContact O-N 3.16Å; G155-A158 PolarHBondContact O-N 3.43Å; G155-Q159 WeakPolarHBondContact O-CB 3.38Å; G155-Q159 PolarHBondContact O-N 3.11Å; G155-W176 VanDerWaalsContact CA-CE2 3.43Å
156Q98.9Very high98.6Very high105 Ų10533.8 Ų33.849%0.49120%0.204SC..Hα-helixtrans-65.1-41.5173.9-64.5171.928.900111.4L99 S152 V153 A154 Q159 A160L99-Q156 HydrophobicContact CD1-CB 4.44Å; L99-Q156 HydrophobicContact CD2-CB 4.27Å; S152-Q156 PolarHBondContact O-N 2.92Å; V153-Q156 WeakPolarHBondContact O-CB 3.34Å; V153-Q156 PolarHBondContact O-N 3.19Å; A154-Q156 VanDerWaalsContact C-N 3.35Å; A154-Q156 PolarHBondContact O-N 3.14Å; Q156-Q159 PolarHBondContact O-N 3.18Å; Q156-A160 WeakPolarHBondContact O-CB 3.38Å; Q156-A160 PolarHBondContact O-N 3.29Å
157Y98.9Very high98.7Very high8 Ų837 Ų373%0.03121%0.209CC..Hα-helixtrans-71.2-35.1177.2-74.2-107.1000111.7D85 C86 I97 L99 Y102 V153 A154 A160 C161D85-Y157 HydrophobicContact CB-CD1 3.88Å; D85-Y157 HydrophobicContact CB-CE1 3.77Å; C86-Y157 HydrophobicContact CB-CD1 4.24Å; C86-Y157 HydrophobicContact CB-CD2 3.44Å; C86-Y157 VanDerWaalsContact CB-CD2 3.44Å; C86-Y157 HydrophobicContact CB-CE2 3.77Å; C86-Y157 HydrophobicContact CB-CG 3.71Å; I97-Y157 VanDerWaalsContact O-CE1 3.29Å; I97-Y157 WeakPolarHBondContact O-CE1 3.45Å; I97-Y157 PolarHBondContact O-OH 2.87Å; L99-Y157 HydrophobicContact CD1-CD1 3.87Å; L99-Y157 HydrophobicContact CD1-CD2 3.69Å; L99-Y157 HydrophobicContact CD1-CE1 4.01Å; L99-Y157 HydrophobicContact CD1-CE2 3.86Å; L99-Y157 HydrophobicContact CD1-CG 3.7Å; Y102-Y157 AromaticContact CD1-CD1 3.59Å; Y102-Y157 HydrophobicContact CD1-CD1 3.59Å; Y102-Y157 HydrophobicContact CD1-CE1 4.3Å; Y102-Y157 HydrophobicContact CD1-CG 4.37Å; Y102-Y157 HydrophobicContact CD2-CD1 4.05Å; Y102-Y157 AromaticContact CE1-CD1 4Å; Y102-Y157 HydrophobicContact CE1-CD1 4Å; Y102-Y157 VanDerWaalsContact CE1-O 3.31Å; Y102-Y157 WeakPolarHBondContact CE1-O 3.48Å; Y102-Y157 HydrophobicContact CE2-CD1 4.43Å; Y102-Y157 AromaticContact CG-CD1 3.6Å; Y102-Y157 HydrophobicContact CG-CD1 3.6Å; Y102-Y157 AromaticContact CG-CE1 3.99Å; Y102-Y157 HydrophobicContact CG-CE1 3.99Å; V153-Y157 HydrophobicContact CG1-CD2 4.04Å; V153-Y157 HydrophobicContact CG1-CE2 3.66Å; V153-Y157 VanDerWaalsContact O-CD2 3.3Å; V153-Y157 WeakPolarHBondContact O-CD2 3.48Å; V153-Y157 PolarHBondContact O-N 3.19Å; A154-Y157 PolarHBondContact O-N 3.06Å; Y157-A160 PolarHBondContact O-N 3.02Å; Y157-C161 VanDerWaalsContact O-CB 3.31Å; Y157-C161 WeakPolarHBondContact O-CB 3.41Å; Y157-C161 PolarHBondContact O-N 2.95Å
158A98.9Very high98.7Very high1 Ų137.1 Ų37.11%0.00821%0.212CC..Hα-helixtrans-60.4-48.4171.300000111.3T127 P128 A154 G155 A160 C161 V162 W176T127-A158 HydrophobicContact CG2-CB 4.29Å; P128-A158 HydrophobicContact CG-CB 4.25Å; A154-A158 PolarHBondContact O-N 3.29Å; G155-A158 PolarHBondContact O-N 3.43Å; A158-A160 VanDerWaalsContact C-N 3.34Å; A158-A160 PolarHBondContact O-N 3.1Å; A158-C161 WeakPolarHBondContact O-CB 3.45Å; A158-C161 PolarHBondContact O-N 2.8Å; A158-C161 VanDerWaalsContact O-N 3.15Å; A158-V162 WeakPolarHBondContact O-CG2 3.29Å; A158-V162 PolarHBondContact O-N 3.35Å; A158-W176 HydrophobicContact CB-CB 3.45Å; A158-W176 VanDerWaalsContact CB-CB 3.45Å; A158-W176 HydrophobicContact CB-CD2 4.5Å; A158-W176 HydrophobicContact CB-CG 3.84Å
159Q98.9Very high98.7Very high95 Ų9539.1 Ų39.144%0.44424%0.235SC..Hα-helixtrans-61.7-40.8177.5-176.958.268.400112.6G155 Q156 C161 V162 Q163G155-Q159 WeakPolarHBondContact O-CB 3.38Å; G155-Q159 PolarHBondContact O-N 3.11Å; Q156-Q159 PolarHBondContact O-N 3.18Å; Q159-C161 VanDerWaalsContact C-N 3.34Å; Q159-V162 PolarHBondContact O-N 3.48Å; Q159-Q163 WeakPolarHBondContact O-CG 3.45Å; Q159-Q163 PolarHBondContact O-N 3.39Å
160A98.9Very high98.7Very high5 Ų539.4 Ų39.44%0.04124%0.238CC..Hα-helixtrans-64.2-38.7175.100000112.1L99 Y102 Q156 Y157 A158 Q163 A164L99-A160 HydrophobicContact CD1-CB 3.73Å; L99-A160 HydrophobicContact CG-CB 4.24Å; Y102-A160 HydrophobicContact CD1-CB 4.16Å; Y102-A160 HydrophobicContact CE1-CB 4.27Å; Q156-A160 WeakPolarHBondContact O-CB 3.38Å; Q156-A160 PolarHBondContact O-N 3.29Å; Y157-A160 PolarHBondContact O-N 3.02Å; A158-A160 VanDerWaalsContact C-N 3.34Å; A158-A160 PolarHBondContact O-N 3.1Å; A160-Q163 PolarHBondContact O-N 3.28Å; A160-A164 WeakPolarHBondContact O-CB 3.37Å; A160-A164 PolarHBondContact O-N 3.12Å
161C98.9Very high98.7Very high1 Ų140.2 Ų40.21%0.00724%0.243CC..Hα-helixtrans-62.8-46.4175.1-175.40000111.8Y102 L106 T127 Y157 A158 Q159 Q163 A164 A165Y102-C161 HydrophobicContact CE1-CB 4.15Å; L106-C161 HydrophobicContact CD1-CB 3.96Å; T127-C161 HydrophobicContact CG2-CB 3.99Å; Y157-C161 VanDerWaalsContact O-CB 3.31Å; Y157-C161 WeakPolarHBondContact O-CB 3.41Å; Y157-C161 PolarHBondContact O-N 2.95Å; A158-C161 WeakPolarHBondContact O-CB 3.45Å; A158-C161 PolarHBondContact O-N 2.8Å; A158-C161 VanDerWaalsContact O-N 3.15Å; Q159-C161 VanDerWaalsContact C-N 3.34Å; C161-Q163 VanDerWaalsContact C-N 3.34Å; C161-Q163 PolarHBondContact O-N 2.67Å; C161-A164 PolarHBondContact O-N 3.06Å; C161-A165 WeakPolarHBondContact O-CB 3.4Å; C161-A165 PolarHBondContact O-N 2.68Å
162V98.9Very high98.7Very high39 Ų3941.2 Ų41.224%0.23625%0.25CC..Hα-helixtrans-58.2-45.5174.8172.40000111.4T127 A158 Q159 A165 G166 V172 D174T127-V162 HydrophobicContact CG2-CG2 3.8Å; A158-V162 WeakPolarHBondContact O-CG2 3.29Å; A158-V162 PolarHBondContact O-N 3.35Å; Q159-V162 PolarHBondContact O-N 3.48Å; V162-A165 PolarHBondContact O-N 2.88Å; V162-G166 PolarHBondContact O-N 3.1Å; V162-G166 VanDerWaalsContact O-N 3.09Å; V162-V172 HydrophobicContact CG1-CG1 4.37Å; V162-V172 HydrophobicContact CG2-CG1 4.37Å; V162-V172 HydrophobicContact CG2-CG2 4.02Å; V162-D174 HydrophobicContact CG2-CB 4.04Å
163Q98.9Very high98.7Very high105 Ų10538.2 Ų38.249%0.49123%0.228SC..Hα-helixtrans-65-43.6178.6-71.6173.79.900112.1Q159 A160 C161 G166 Q167Q159-Q163 WeakPolarHBondContact O-CG 3.45Å; Q159-Q163 PolarHBondContact O-N 3.39Å; A160-Q163 PolarHBondContact O-N 3.28Å; C161-Q163 VanDerWaalsContact C-N 3.34Å; C161-Q163 PolarHBondContact O-N 2.67Å; Q163-G166 PolarHBondContact O-N 2.85Å; Q163-Q167 WeakPolarHBondContact O-CB 3.4Å; Q163-Q167 VanDerWaalsContact O-CG 3.26Å; Q163-Q167 WeakPolarHBondContact O-CG 3.44Å; Q163-Q167 PolarHBondContact O-N 3.19Å
164A98.8Very high98.7Very high1 Ų138.5 Ų38.51%0.00823%0.228CC..Hα-helixtrans-62.6-42.9177.200000111.5L106 A160 C161 G166 Q167 C168L106-A164 HydrophobicContact CB-CB 4.16Å; L106-A164 HydrophobicContact CD1-CB 4.06Å; A160-A164 WeakPolarHBondContact O-CB 3.37Å; A160-A164 PolarHBondContact O-N 3.12Å; C161-A164 PolarHBondContact O-N 3.06Å; A164-G166 PolarHBondContact O-N 2.66Å; A164-Q167 PolarHBondContact O-N 2.7Å; A164-C168 WeakPolarHBondContact O-CB 3.22Å; A164-C168 PolarHBondContact O-N 2.98Å; A164-C168 PolarHBondContact O-SG 3.12Å; A164-C168 VanDerWaalsContact O-SG 3.41Å
165A98.7Very high98.7Very high0 Ų038.3 Ų38.30%023%0.227CC..Hα-helixtrans-57-50.9175.500000111.6F125 C161 V162 Q167 C168 G169 A170 V172F125-A165 HydrophobicContact CB-CB 4.22Å; F125-A165 HydrophobicContact CD2-CB 3.46Å; F125-A165 VanDerWaalsContact CD2-CB 3.46Å; F125-A165 HydrophobicContact CE2-CB 4.17Å; F125-A165 HydrophobicContact CG-CB 4.17Å; C161-A165 WeakPolarHBondContact O-CB 3.4Å; C161-A165 PolarHBondContact O-N 2.68Å; V162-A165 PolarHBondContact O-N 2.88Å; A165-Q167 VanDerWaalsContact C-N 3.35Å; A165-Q167 PolarHBondContact O-N 2.9Å; A165-C168 CarbonylContact O-C 3.44Å; A165-C168 PolarHBondContact O-N 3.23Å; A165-C168 VanDerWaalsContact O-N 3.08Å; A165-G169 PolarHBondContact O-N 2.78Å; A165-A170 PolarHBondContact O-N 3.02Å; A165-V172 HydrophobicContact CB-CB 3.81Å; A165-V172 HydrophobicContact CB-CG1 4.29Å; A165-V172 HydrophobicContact CB-CG2 4.45Å
166G98.4Very high98.7Very high59 Ų5940.7 Ų40.761%0.60823%0.232SC*.Hα-helixtrans-60.9-39.8177.600000113.4V162 Q163 A164 C168 G169V162-G166 PolarHBondContact O-N 3.1Å; V162-G166 VanDerWaalsContact O-N 3.09Å; Q163-G166 PolarHBondContact O-N 2.85Å; A164-G166 PolarHBondContact O-N 2.66Å; G166-C168 VanDerWaalsContact C-N 3.26Å; G166-C168 PolarHBondContact O-N 3.42Å; G166-G169 PolarHBondContact O-N 3.2Å
167Q98.5Very high98.6Very high127 Ų12738.7 Ų38.759%0.59323%0.227SC*.Hα-helixtrans-67.4-26.2175.9-72.4170.3-0.400113.2Q163 A164 A165Q163-Q167 WeakPolarHBondContact O-CB 3.4Å; Q163-Q167 VanDerWaalsContact O-CG 3.26Å; Q163-Q167 WeakPolarHBondContact O-CG 3.44Å; Q163-Q167 PolarHBondContact O-N 3.19Å; A164-Q167 PolarHBondContact O-N 2.7Å; A165-Q167 VanDerWaalsContact C-N 3.35Å; A165-Q167 PolarHBondContact O-N 2.9Å
168C98.1Very high98.6Very high32 Ų3240.7 Ų40.722%0.21624%0.238CC..Hα-helixtrans-89.2-11.6177.3-76.30000113.8V110 A120 A164 A165 G166 A170V110-C168 HydrophobicContact CB-CB 4.34Å; V110-C168 HydrophobicContact CG1-CB 4.06Å; V110-C168 HydrophobicContact CG2-CB 4.12Å; A120-C168 VanDerWaalsContact CB-O 3.22Å; A120-C168 WeakPolarHBondContact CB-O 3.32Å; A164-C168 WeakPolarHBondContact O-CB 3.22Å; A164-C168 PolarHBondContact O-N 2.98Å; A164-C168 PolarHBondContact O-SG 3.12Å; A164-C168 VanDerWaalsContact O-SG 3.41Å; A165-C168 CarbonylContact O-C 3.44Å; A165-C168 PolarHBondContact O-N 3.23Å; A165-C168 VanDerWaalsContact O-N 3.08Å; G166-C168 VanDerWaalsContact C-N 3.26Å; G166-C168 PolarHBondContact O-N 3.42Å; C168-A170 VanDerWaalsContact C-N 3.29Å; C168-A170 HydrophobicContact CB-CB 4.41Å
169G97.9Very high98.5Very high52 Ų5240.7 Ų40.754%0.53624%0.238SC..THydrogen-bonded Turntrans69.427.2-170.300000113.3A165 G166A165-G169 PolarHBondContact O-N 2.78Å; G166-G169 PolarHBondContact O-N 3.2Å
170A98.5Very high98.4Very high10 Ų1038.3 Ų38.38%0.08323%0.227CC..  trans-99.9153175.900000110.8V123 F125 A165 C168V123-A170 HydrophobicContact CB-CB 4.03Å; V123-A170 HydrophobicContact CG1-CB 4.32Å; F125-A170 HydrophobicContact CD2-CB 3.92Å; F125-A170 HydrophobicContact CE2-CB 3.93Å; A165-A170 PolarHBondContact O-N 3.02Å; C168-A170 VanDerWaalsContact C-N 3.29Å; C168-A170 HydrophobicContact CB-CB 4.41Å
171D98.6Very high98.1Very high67 Ų6743.5 Ų43.536%0.35825%0.248SC..EExtended strand (participates in β ladder)trans-74.3157.5172.7-80.3-9.6000110.7V123 I124 F125 R215V123-D171 PolarHBondContact O-N 3.38Å; I124-D171 WeakPolarHBondContact CA-O 3.44Å; I124-D171 HydrophobicContact CG1-CB 4.31Å; F125-D171 PolarHBondContact N-O 3.11Å; D171-R215 VanDerWaalsContact CG-NH2 3.32Å; D171-R215 IonicContact OD2-CZ 3.58Å; D171-R215 IonicContact OD2-NH1 2.72Å; D171-R215 PolarHBondContact OD2-NH1 3.37Å; D171-R215 IonicContact OD2-NH2 2.67Å; D171-R215 PolarHBondContact OD2-NH2 3.39Å
172V98.8Very high97.7Very high46 Ų4650.4 Ų50.428%0.27929%0.285SS..EExtended strand (participates in β ladder)trans-137.1132.7175.961.20000111.7F125 T127 V162 A165F125-V172 HydrophobicContact CB-CB 4.33Å; F125-V172 HydrophobicContact CB-CG2 4.1Å; F125-V172 CarbonylContact O-C 3.57Å; F125-V172 WeakPolarHBondContact O-CA 3.43Å; T127-V172 HydrophobicContact CG2-CG2 3.84Å; V162-V172 HydrophobicContact CG1-CG1 4.37Å; V162-V172 HydrophobicContact CG2-CG1 4.37Å; V162-V172 HydrophobicContact CG2-CG2 4.02Å; A165-V172 HydrophobicContact CB-CB 3.81Å; A165-V172 HydrophobicContact CB-CG1 4.29Å; A165-V172 HydrophobicContact CB-CG2 4.45Å
173L98.8Very high97.1Very high8 Ų852 Ų524%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-95.4100.2164177.658.9000108.5F125 I126 T127 L175 L178 H207 L208 L211F125-L173 PolarHBondContact O-N 3.33Å; I126-L173 HydrophobicContact CG1-CB 4.34Å; I126-L173 HydrophobicContact CG2-CB 4.5Å; I126-L173 HydrophobicContact CG2-CD2 4.33Å; T127-L173 PolarHBondContact N-O 3.2Å; T127-L173 VanDerWaalsContact N-O 3.09Å; L173-L175 VanDerWaalsContact C-N 3.34Å; L173-L175 HydrophobicContact CD1-CD2 4.15Å; L173-L175 HydrophobicContact CD2-CD2 3.74Å; L173-L175 HydrophobicContact CD2-CG 4.25Å; L173-L175 HydrophobicContact CG-CD2 3.69Å; L173-L175 HydrophobicContact CG-CG 4.03Å; L173-L175 PolarHBondContact O-N 3.35Å; L173-L178 HydrophobicContact CD1-CD1 3.55Å; L173-H207 HydrophobicContact CD1-CB 3.6Å; L173-H207 HydrophobicContact CD2-CB 4.33Å; L173-L208 HydrophobicContact CD2-CB 4.06Å; L173-L211 HydrophobicContact CB-CD1 3.96Å
174D98.8Very high96.6Very high31 Ų3151 Ų5117%0.16631%0.306CS..  trans-81.977.9-179.7-171.56.7000112.1T127 V162 W176 T177 L178T127-D174 HydrophobicContact CG2-CB 4.2Å; T127-D174 WeakPolarHBondContact OG1-CA 3.21Å; T127-D174 PolarHBondContact OG1-OD1 3.13Å; V162-D174 HydrophobicContact CG2-CB 4.04Å; D174-W176 VanDerWaalsContact C-N 3.34Å; D174-W176 PolarHBondContact O-N 2.99Å; D174-T177 PolarHBondContact O-N 3.31Å; D174-T177 PolarHBondContact OD1-N 3.19Å; D174-T177 WeakPolarHBondContact OD2-CB 3.45Å; D174-T177 PolarHBondContact OD2-OG1 3.05Å; D174-L178 VanDerWaalsContact O-CB 3.31Å; D174-L178 WeakPolarHBondContact O-CB 3.35Å; D174-L178 VanDerWaalsContact O-CG 3.24Å; D174-L178 WeakPolarHBondContact O-CG 3.46Å; D174-L178 PolarHBondContact O-N 3.22Å
175L98.3Very high96.3Very high0 Ų056.1 Ų56.10%033%0.333CS..Hα-helixtrans-60.6-40.5180-69.1-174.6000113F80 I126 T127 L173 T177 L178 M179 F203 V204F80-L175 HydrophobicContact CE1-CD1 4.15Å; F80-L175 HydrophobicContact CE2-CD1 4.23Å; F80-L175 HydrophobicContact CZ-CD1 3.55Å; I126-L175 HydrophobicContact CG2-CD1 3.31Å; I126-L175 HydrophobicContact CG2-CG 3.67Å; T127-L175 PolarHBondContact OG1-N 3.45Å; L173-L175 VanDerWaalsContact C-N 3.34Å; L173-L175 HydrophobicContact CD1-CD2 4.15Å; L173-L175 HydrophobicContact CD2-CD2 3.74Å; L173-L175 HydrophobicContact CD2-CG 4.25Å; L173-L175 HydrophobicContact CG-CD2 3.69Å; L173-L175 HydrophobicContact CG-CG 4.03Å; L173-L175 PolarHBondContact O-N 3.35Å; L175-T177 VanDerWaalsContact C-N 3.31Å; L175-T177 PolarHBondContact O-N 3.18Å; L175-L178 PolarHBondContact O-N 3.26Å; L175-M179 HydrophobicContact CD2-CE 4.38Å; L175-M179 WeakPolarHBondContact O-CB 3.41Å; L175-M179 WeakPolarHBondContact O-CG 3.43Å; L175-M179 PolarHBondContact O-N 3.28Å; L175-F203 HydrophobicContact CD2-CD1 4.36Å; L175-F203 HydrophobicContact CD2-CE1 4.33Å; L175-V204 HydrophobicContact CD1-CG2 3.64Å; L175-V204 HydrophobicContact CD2-CG2 3.95Å; L175-V204 HydrophobicContact CG-CG2 4.47Å
176W98.5Very high96.2Very high62 Ų6257.7 Ų57.724%0.23534%0.339CS..Hα-helixtrans-54.9-50.2179.2-167.589.7000111T127 P128 P130 N151 G155 A158 D174 Q180T127-W176 PolarHBondContact OG1-N 3.42Å; P128-W176 WeakPolarHBondContact O-CB 3.39Å; P130-W176 HydrophobicContact CG-CG 4.48Å; N151-W176 PolarHBondContact O-NE1 3.3Å; N151-W176 PolarHBondContact OD1-NE1 3.39Å; G155-W176 VanDerWaalsContact CA-CE2 3.43Å; A158-W176 HydrophobicContact CB-CB 3.45Å; A158-W176 VanDerWaalsContact CB-CB 3.45Å; A158-W176 HydrophobicContact CB-CD2 4.5Å; A158-W176 HydrophobicContact CB-CG 3.84Å; D174-W176 VanDerWaalsContact C-N 3.34Å; D174-W176 PolarHBondContact O-N 2.99Å; W176-Q180 VanDerWaalsContact CZ2-NE2 3.25Å; W176-Q180 PolarHBondContact O-NE2 2.98Å
177T98.2Very high96.2Very high63 Ų6357 Ų5739%0.38732%0.324SS..Hα-helixtrans-70.3-47.8178.2-59.70000111.7D174 L175 M179 Q180 K181D174-T177 PolarHBondContact O-N 3.31Å; D174-T177 PolarHBondContact OD1-N 3.19Å; D174-T177 WeakPolarHBondContact OD2-CB 3.45Å; D174-T177 PolarHBondContact OD2-OG1 3.05Å; L175-T177 VanDerWaalsContact C-N 3.31Å; L175-T177 PolarHBondContact O-N 3.18Å; T177-M179 VanDerWaalsContact C-N 3.35Å; T177-M179 PolarHBondContact O-N 3.42Å; T177-Q180 PolarHBondContact O-N 3.28Å; T177-Q180 VanDerWaalsContact O-N 3.17Å; T177-K181 PolarHBondContact O-N 2.68Å
178L98Very high96.2Very high51 Ų5152.6 Ų52.627%0.26731%0.313SS..Hα-helixtrans-61.7-38.9-173.8-76.6171.9000113.3L173 D174 L175 Q180 F203L173-L178 HydrophobicContact CD1-CD1 3.55Å; D174-L178 VanDerWaalsContact O-CB 3.31Å; D174-L178 WeakPolarHBondContact O-CB 3.35Å; D174-L178 VanDerWaalsContact O-CG 3.24Å; D174-L178 WeakPolarHBondContact O-CG 3.46Å; D174-L178 PolarHBondContact O-N 3.22Å; L175-L178 PolarHBondContact O-N 3.26Å; L178-Q180 PolarHBondContact O-N 3.01Å; L178-F203 HydrophobicContact CB-CE1 4.09Å; L178-F203 HydrophobicContact CB-CZ 4.07Å
179M97.9Very high96.2Very high0 Ų052 Ų520%031%0.306CS..Hα-helixtrans-72.6-17.1-179.2-72.4-176.4169.500113.6P129 P130 L175 T177 Q184 F186 Y189 L196 F203 V204P129-M179 HydrophobicContact CB-SD 4.22Å; P130-M179 HydrophobicContact CG-CB 3.91Å; L175-M179 HydrophobicContact CD2-CE 4.38Å; L175-M179 WeakPolarHBondContact O-CB 3.41Å; L175-M179 WeakPolarHBondContact O-CG 3.43Å; L175-M179 PolarHBondContact O-N 3.28Å; T177-M179 VanDerWaalsContact C-N 3.35Å; T177-M179 PolarHBondContact O-N 3.42Å; M179-Q184 WeakPolarHBondContact O-CB 3.36Å; M179-F186 HydrophobicContact CB-CB 4.04Å; M179-F186 WeakPolarHBondContact O-CB 3.36Å; M179-Y189 HydrophobicContact CB-CD2 3.84Å; M179-Y189 HydrophobicContact CB-CE2 4.05Å; M179-Y189 HydrophobicContact CE-CD2 4.44Å; M179-Y189 HydrophobicContact CE-CG 4.2Å; M179-Y189 HydrophobicContact CG-CD2 3.71Å; M179-Y189 HydrophobicContact CG-CE2 4.06Å; M179-Y189 HydrophobicContact CG-CG 4.37Å; M179-Y189 HydrophobicContact SD-CD2 3.97Å; M179-Y189 HydrophobicContact SD-CG 4.2Å; M179-L196 HydrophobicContact CE-CD2 4Å; M179-F203 HydrophobicContact CE-CD1 3.8Å; M179-F203 HydrophobicContact CE-CE1 4.4Å; M179-F203 HydrophobicContact CE-CG 4.38Å; M179-F203 HydrophobicContact CG-CD1 4.17Å; M179-F203 HydrophobicContact CG-CE1 3.89Å; M179-F203 HydrophobicContact CG-CZ 4.32Å; M179-V204 HydrophobicContact CE-CG2 4.26Å
180Q95.5Very high96.2Very high46 Ų4650.2 Ų50.222%0.21528%0.284CS..Hα-helixtrans-110.8-7.2-177.8-65.6178102.200113.1P130 N151 W176 T177 L178 G183 F186P130-Q180 HydrophobicContact CB-CG 4.17Å; P130-Q180 HydrophobicContact CG-CG 3.7Å; N151-Q180 PolarHBondContact ND2-OE1 3.37Å; W176-Q180 VanDerWaalsContact CZ2-NE2 3.25Å; W176-Q180 PolarHBondContact O-NE2 2.98Å; T177-Q180 PolarHBondContact O-N 3.28Å; T177-Q180 VanDerWaalsContact O-N 3.17Å; L178-Q180 PolarHBondContact O-N 3.01Å; Q180-G183 PolarHBondContact O-N 3.05Å; Q180-F186 HydrophobicContact CG-CB 4.18Å; Q180-F186 HydrophobicContact CG-CD1 3.62Å; Q180-F186 HydrophobicContact CG-CE1 4.26Å; Q180-F186 HydrophobicContact CG-CG 4.12Å
181K92.6Very high96.2Very high113 Ų11353.6 Ų53.649%0.49131%0.307SS..G310 helixtrans-57.8142.7-174.9-167.3-174.4170.5-176.60110.8T177 G183 Q184T177-K181 PolarHBondContact O-N 2.68Å; K181-G183 PolarHBondContact O-N 3.11Å; K181-G183 VanDerWaalsContact O-N 3.1Å; K181-Q184 WeakPolarHBondContact O-CB 3.25Å; K181-Q184 VanDerWaalsContact O-CG 3.3Å; K181-Q184 WeakPolarHBondContact O-CG 3.41Å; K181-Q184 PolarHBondContact O-N 3.29Å; K181-Q184 VanDerWaalsContact O-N 3.07Å
182D90.7Very high96.2Very high146 Ų14651.6 Ų51.678%0.78130%0.296SS*.G310 helixtrans56.926176.6-52.5-39.6000114.1Q184D182-Q184 VanDerWaalsContact C-N 3.35Å
183G86Confident96.1Very high74 Ų7449.5 Ų49.576%0.76328%0.284SS*.G310 helixtrans76.620.2179.900000113.9Q180 K181 D185Q180-G183 PolarHBondContact O-N 3.05Å; K181-G183 PolarHBondContact O-N 3.11Å; K181-G183 VanDerWaalsContact O-N 3.1Å; G183-D185 PolarHBondContact O-N 2.96Å
184Q88.1Confident96.1Very high84 Ų8449.6 Ų49.639%0.39328%0.284SS..  trans-56.9133173.1-79.4-172.614.400111.4M179 K181 D182 F186 Y189M179-Q184 WeakPolarHBondContact O-CB 3.36Å; K181-Q184 WeakPolarHBondContact O-CB 3.25Å; K181-Q184 VanDerWaalsContact O-CG 3.3Å; K181-Q184 WeakPolarHBondContact O-CG 3.41Å; K181-Q184 PolarHBondContact O-N 3.29Å; K181-Q184 VanDerWaalsContact O-N 3.07Å; D182-Q184 VanDerWaalsContact C-N 3.35Å; Q184-F186 PolarHBondContact O-N 3.44Å; Q184-F186 VanDerWaalsContact O-N 3.12Å; Q184-Y189 PolarHBondContact OE1-OH 3.49Å
185D93.6Very high96.1Very high107 Ų10749.5 Ų49.557%0.57228%0.283SS*.  trans-73.9101.6169.4178.112.5000109.6G183 T187G183-D185 PolarHBondContact O-N 2.96Å; D185-T187 VanDerWaalsContact CG-OG1 3.25Å; D185-T187 PolarHBondContact O-N 3.31Å; D185-T187 VanDerWaalsContact OD1-CB 3.31Å; D185-T187 WeakPolarHBondContact OD1-CB 3.37Å; D185-T187 VanDerWaalsContact OD1-CG2 3.28Å; D185-T187 WeakPolarHBondContact OD1-CG2 3.42Å; D185-T187 PolarHBondContact OD1-N 2.82Å; D185-T187 PolarHBondContact OD1-OG1 2.92Å; D185-T187 PolarHBondContact OD2-OG1 2.9Å
186F97.1Very high96.1Very high33 Ų3350.3 Ų50.315%0.14529%0.287CS..G310 helixtrans-73.8-15-179.669.2-94.8000113.4P130 H132 M179 Q180 Q184 G188 Y189 L190P130-F186 HydrophobicContact CB-CB 4.46Å; P130-F186 HydrophobicContact CB-CD1 4.29Å; P130-F186 HydrophobicContact CB-CD2 3.57Å; P130-F186 HydrophobicContact CB-CE1 4.4Å; P130-F186 HydrophobicContact CB-CE2 3.71Å; P130-F186 HydrophobicContact CB-CG 3.86Å; P130-F186 HydrophobicContact CB-CZ 4.11Å; P130-F186 HydrophobicContact CG-CB 4.22Å; P130-F186 HydrophobicContact CG-CD2 4.22Å; P130-F186 HydrophobicContact CG-CG 4.15Å; H132-F186 HydrophobicContact CB-CE2 3.95Å; M179-F186 HydrophobicContact CB-CB 4.04Å; M179-F186 WeakPolarHBondContact O-CB 3.36Å; Q180-F186 HydrophobicContact CG-CB 4.18Å; Q180-F186 HydrophobicContact CG-CD1 3.62Å; Q180-F186 HydrophobicContact CG-CE1 4.26Å; Q180-F186 HydrophobicContact CG-CG 4.12Å; Q184-F186 PolarHBondContact O-N 3.44Å; Q184-F186 VanDerWaalsContact O-N 3.12Å; F186-G188 PolarHBondContact O-N 2.97Å; F186-Y189 HydrophobicContact CB-CD2 4.15Å; F186-Y189 WeakPolarHBondContact O-CB 3.41Å; F186-Y189 PolarHBondContact O-N 2.84Å; F186-L190 HydrophobicContact CD2-CD1 3.84Å; F186-L190 HydrophobicContact CE2-CD1 3.99Å
187T97.6Very high96.1Very high45 Ų4548.3 Ų48.328%0.27628%0.283SS..G310 helixtrans-61.8-34.5-171.263.90000112H132 D185 Y189 L190H132-T187 HydrophobicContact CB-CG2 4.32Å; H132-T187 VanDerWaalsContact CD2-CG2 3.44Å; H132-T187 WeakPolarHBondContact CD2-CG2 3.34Å; D185-T187 VanDerWaalsContact CG-OG1 3.25Å; D185-T187 PolarHBondContact O-N 3.31Å; D185-T187 VanDerWaalsContact OD1-CB 3.31Å; D185-T187 WeakPolarHBondContact OD1-CB 3.37Å; D185-T187 VanDerWaalsContact OD1-CG2 3.28Å; D185-T187 WeakPolarHBondContact OD1-CG2 3.42Å; D185-T187 PolarHBondContact OD1-N 2.82Å; D185-T187 PolarHBondContact OD1-OG1 2.92Å; D185-T187 PolarHBondContact OD2-OG1 2.9Å; T187-Y189 PolarHBondContact O-N 3.03Å; T187-L190 PolarHBondContact O-N 3.2Å
188G97.7Very high96.1Very high35 Ų3551.1 Ų51.136%0.36129%0.291SS..G310 helixtrans-66-15.3175.200000114.7F186 L190 S197F186-G188 PolarHBondContact O-N 2.97Å; G188-L190 VanDerWaalsContact C-N 3.29Å; G188-S197 PolarHBondContact O-OG 2.99Å
189Y98.4Very high96.1Very high19 Ų1954.4 Ų54.48%0.07530%0.303CS..G310 helixtrans-82.2-6.8173-58.2-55.2000113M179 Q184 F186 T187 L196 S197 K199 G200 F203M179-Y189 HydrophobicContact CB-CD2 3.84Å; M179-Y189 HydrophobicContact CB-CE2 4.05Å; M179-Y189 HydrophobicContact CE-CD2 4.44Å; M179-Y189 HydrophobicContact CE-CG 4.2Å; M179-Y189 HydrophobicContact CG-CD2 3.71Å; M179-Y189 HydrophobicContact CG-CE2 4.06Å; M179-Y189 HydrophobicContact CG-CG 4.37Å; M179-Y189 HydrophobicContact SD-CD2 3.97Å; M179-Y189 HydrophobicContact SD-CG 4.2Å; Q184-Y189 PolarHBondContact OE1-OH 3.49Å; F186-Y189 HydrophobicContact CB-CD2 4.15Å; F186-Y189 WeakPolarHBondContact O-CB 3.41Å; F186-Y189 PolarHBondContact O-N 2.84Å; T187-Y189 PolarHBondContact O-N 3.03Å; Y189-L196 CarbonylContact O-C 3.29Å; Y189-L196 WeakPolarHBondContact O-CA 3.35Å; Y189-S197 WeakPolarHBondContact CA-OG 3.42Å; Y189-S197 PolarHBondContact O-N 3.15Å; Y189-S197 PolarHBondContact O-OG 3.42Å; Y189-K199 HydrophobicContact CD1-CB 4.39Å; Y189-K199 HydrophobicContact CD1-CD 3.97Å; Y189-K199 HydrophobicContact CD1-CG 3.83Å; Y189-K199 HydrophobicContact CE1-CD 3.9Å; Y189-K199 HydrophobicContact CE1-CG 3.88Å; Y189-G200 WeakPolarHBondContact O-CA 3.43Å; Y189-F203 HydrophobicContact CD1-CB 4.12Å; Y189-F203 HydrophobicContact CD1-CD2 4.42Å; Y189-F203 HydrophobicContact CD1-CG 4.4Å; Y189-F203 HydrophobicContact CE1-CB 4.01Å; Y189-F203 AromaticContact CE1-CD2 3.61Å; Y189-F203 HydrophobicContact CE1-CD2 3.61Å; Y189-F203 HydrophobicContact CE1-CE2 4.35Å; Y189-F203 HydrophobicContact CE1-CG 4.02Å; Y189-F203 HydrophobicContact CE2-CD2 4.43Å; Y189-F203 HydrophobicContact CE2-CE2 4.47Å; Y189-F203 AromaticContact CZ-CD2 3.63Å; Y189-F203 AromaticContact CZ-CE2 3.9Å
190L98.6Very high96.1Very high15 Ų1554.4 Ų54.48%0.07930%0.303CS..BIsolated β-bridgetrans-117.6139.4-175.2-52.4174.4000110.3P129 P130 H132 F186 T187 G188 H195 L196P129-L190 HydrophobicContact CB-CD2 4.39Å; P130-L190 VanDerWaalsContact O-CD1 3.27Å; P130-L190 WeakPolarHBondContact O-CD1 3.27Å; H132-L190 HydrophobicContact CB-CD1 3.99Å; F186-L190 HydrophobicContact CD2-CD1 3.84Å; F186-L190 HydrophobicContact CE2-CD1 3.99Å; T187-L190 PolarHBondContact O-N 3.2Å; G188-L190 VanDerWaalsContact C-N 3.29Å; L190-H195 CarbonylContact C-O 3.32Å; L190-H195 WeakPolarHBondContact CA-O 3.29Å; L190-L196 HydrophobicContact CD2-CD2 4.49Å
191S98Very high96.3Very high80 Ų8053 Ų5356%0.55930%0.297SS*.SBendtrans-88-39.317948.50000112.2H195 L196S191-H195 PolarHBondContact N-O 3.47Å; S191-H195 PolarHBondContact OG-O 2.71Å; S191-L196 PolarHBondContact OG-O 3.13Å
192D98.2Very high96.6Very high26 Ų2650 Ų5014%0.13929%0.285CS..SBendtrans-128.611.2-174.971.4-4.9000112.7A135 W136 E139 L194 H195A135-D192 CarbonylContact C-O 3.24Å; A135-D192 VanDerWaalsContact C-O 3.29Å; W136-D192 WeakPolarHBondContact CA-O 3.46Å; W136-D192 PolarHBondContact N-O 2.78Å; E139-D192 HydrophobicContact CG-CB 3.79Å; D192-L194 PolarHBondContact OD1-N 3.02Å; D192-H195 IonicContact OD1-CG 2.66Å; D192-H195 PolarHBondContact OD1-N 2.91Å; D192-H195 IonicContact OD1-ND1 3.34Å; D192-H195 PolarHBondContact OD1-ND1 2.63Å; D192-H195 IonicContact OD2-CE1 3.45Å; D192-H195 IonicContact OD2-CG 3.06Å; D192-H195 IonicContact OD2-ND1 3.89Å; D192-H195 PolarHBondContact OD2-ND1 3.17Å
193G98.4Very high96.9Very high2 Ų244 Ų442%0.02125%0.252CS..SBendtrans87.4-2.8-175.400000115.4L131 H132L131-G193 WeakPolarHBondContact CD1-O 3.28Å; H132-G193 PolarHBondContact N-O 3.42Å
194L98.6Very high97.5Very high9 Ų940.5 Ų40.55%0.04722%0.216CC..SBendtrans-130.3-52.8173.6-179.675.7000112A83 L131 W136 D192A83-L194 HydrophobicContact CB-CD1 4.27Å; L131-L194 HydrophobicContact CD1-CB 4.19Å; L131-L194 HydrophobicContact CD1-CD1 3.57Å; W136-L194 HydrophobicContact CD2-CB 3.96Å; W136-L194 HydrophobicContact CD2-CD2 4.49Å; W136-L194 HydrophobicContact CE3-CB 3.48Å; W136-L194 VanDerWaalsContact CE3-CB 3.48Å; W136-L194 HydrophobicContact CE3-CD2 4.19Å; W136-L194 HydrophobicContact CE3-CG 4.45Å; W136-L194 HydrophobicContact CH2-CB 4.29Å; W136-L194 HydrophobicContact CH2-CD2 3.42Å; W136-L194 VanDerWaalsContact CH2-CD2 3.42Å; W136-L194 HydrophobicContact CH2-CG 4.48Å; W136-L194 HydrophobicContact CZ2-CD2 3.77Å; W136-L194 HydrophobicContact CZ3-CB 3.67Å; W136-L194 HydrophobicContact CZ3-CD2 3.66Å; W136-L194 HydrophobicContact CZ3-CG 4.32Å; D192-L194 PolarHBondContact OD1-N 3.02Å
195H98.7Very high98Very high30 Ų3036.7 Ų36.714%0.13920%0.199CC..SBendtrans-79.8152.2-178.9-61.8101.5000111.2S18 L190 S191 D192S18-H195 WeakPolarHBondContact CB-NE2 3.37Å; S18-H195 PolarHBondContact OG-CD2 3.09Å; S18-H195 PolarHBondContact OG-NE2 2.91Å; L190-H195 CarbonylContact C-O 3.32Å; L190-H195 WeakPolarHBondContact CA-O 3.29Å; S191-H195 PolarHBondContact N-O 3.47Å; S191-H195 PolarHBondContact OG-O 2.71Å; D192-H195 IonicContact OD1-CG 2.66Å; D192-H195 PolarHBondContact OD1-N 2.91Å; D192-H195 IonicContact OD1-ND1 3.34Å; D192-H195 PolarHBondContact OD1-ND1 2.63Å; D192-H195 IonicContact OD2-CE1 3.45Å; D192-H195 IonicContact OD2-CG 3.06Å; D192-H195 IonicContact OD2-ND1 3.89Å; D192-H195 PolarHBondContact OD2-ND1 3.17Å
196L98.7Very high98.2Very high16 Ų1637.3 Ų37.38%0.08420%0.198CC..BIsolated β-bridgetrans-66.4139-180-60.8175.3000111.2I19 M179 Y189 L190 S191 N201 V204I19-L196 HydrophobicContact CG2-CD1 3.56Å; I19-L196 HydrophobicContact CG2-CG 3.81Å; M179-L196 HydrophobicContact CE-CD2 4Å; Y189-L196 CarbonylContact O-C 3.29Å; Y189-L196 WeakPolarHBondContact O-CA 3.35Å; L190-L196 HydrophobicContact CD2-CD2 4.49Å; S191-L196 PolarHBondContact OG-O 3.13Å; L196-N201 WeakPolarHBondContact CB-ND2 3.46Å; L196-V204 HydrophobicContact CD1-CB 4.46Å; L196-V204 HydrophobicContact CD1-CG2 3.74Å; L196-V204 HydrophobicContact CD2-CG2 4.4Å
197S98.4Very high98.3Very high21 Ų2138.4 Ų38.415%0.14720%0.203CC..  trans-75.5175.9160.872.30000110G188 Y189 K199 G200 N201G188-S197 PolarHBondContact O-OG 2.99Å; Y189-S197 WeakPolarHBondContact CA-OG 3.42Å; Y189-S197 PolarHBondContact O-N 3.15Å; Y189-S197 PolarHBondContact O-OG 3.42Å; S197-K199 VanDerWaalsContact C-N 3.27Å; S197-K199 PolarHBondContact O-N 2.91Å; S197-K199 PolarHBondContact OG-N 3.42Å; S197-G200 PolarHBondContact O-N 3.4Å; S197-G200 VanDerWaalsContact O-N 3.13Å; S197-G200 PolarHBondContact OG-N 3.43Å; S197-G200 VanDerWaalsContact OG-N 3.11Å; S197-N201 PolarHBondContact O-N 2.89Å; S197-N201 PolarHBondContact O-ND2 3.29Å
198E98Very high98.3Very high121 Ų12136.2 Ų36.257%0.56519%0.19SC*.Hα-helixtrans-54.6-45169.3179.7173.9-177.400111.7N27 G200 N201 Q202N27-E198 HydrophobicContact CB-CG 3.87Å; N27-E198 PolarHBondContact ND2-OE1 3.29Å; E198-G200 VanDerWaalsContact C-N 3.31Å; E198-G200 PolarHBondContact O-N 2.89Å; E198-N201 WeakPolarHBondContact O-CB 3.34Å; E198-N201 PolarHBondContact O-N 3.38Å; E198-Q202 WeakPolarHBondContact O-CG 3.47Å; E198-Q202 PolarHBondContact O-N 3.3Å
199K97.9Very high98.4Very high120 Ų12037.4 Ų37.452%0.52218%0.184SC..Hα-helixtrans-60.7-40.7175.8-169.9-171.6178.7-171.10111.6Y189 S197 Q202 F203Y189-K199 HydrophobicContact CD1-CB 4.39Å; Y189-K199 HydrophobicContact CD1-CD 3.97Å; Y189-K199 HydrophobicContact CD1-CG 3.83Å; Y189-K199 HydrophobicContact CE1-CD 3.9Å; Y189-K199 HydrophobicContact CE1-CG 3.88Å; S197-K199 VanDerWaalsContact C-N 3.27Å; S197-K199 PolarHBondContact O-N 2.91Å; S197-K199 PolarHBondContact OG-N 3.42Å; K199-Q202 PolarHBondContact O-N 3Å; K199-F203 WeakPolarHBondContact O-CB 3.46Å; K199-F203 PolarHBondContact O-N 3.43Å
200G98.4Very high98.3Very high0 Ų041.3 Ų41.30%021%0.21CC..Hα-helixtrans-64-42.2175.800000112.7Y189 S197 E198 F203 V204Y189-G200 WeakPolarHBondContact O-CA 3.43Å; S197-G200 PolarHBondContact O-N 3.4Å; S197-G200 VanDerWaalsContact O-N 3.13Å; S197-G200 PolarHBondContact OG-N 3.43Å; S197-G200 VanDerWaalsContact OG-N 3.11Å; E198-G200 VanDerWaalsContact C-N 3.31Å; E198-G200 PolarHBondContact O-N 2.89Å; G200-F203 WeakPolarHBondContact O-CB 3.41Å; G200-F203 PolarHBondContact O-N 3.5Å; G200-V204 WeakPolarHBondContact O-CG2 3.43Å; G200-V204 PolarHBondContact O-N 2.98Å
201N98.7Very high98.3Very high16 Ų1642.2 Ų42.29%0.08622%0.215CC..Hα-helixtrans-60.9-46.4175-82.5-86.1000111.6N27 G28 W29 L196 S197 E198 F203 V204 S205N27-N201 WeakPolarHBondContact O-CB 3.37Å; G28-N201 WeakPolarHBondContact CA-OD1 3.19Å; W29-N201 HydrophobicContact CB-CB 4.42Å; W29-N201 VanDerWaalsContact CB-O 3.3Å; W29-N201 WeakPolarHBondContact CB-O 3.31Å; W29-N201 PolarHBondContact N-OD1 3.41Å; L196-N201 WeakPolarHBondContact CB-ND2 3.46Å; S197-N201 PolarHBondContact O-N 2.89Å; S197-N201 PolarHBondContact O-ND2 3.29Å; E198-N201 WeakPolarHBondContact O-CB 3.34Å; E198-N201 PolarHBondContact O-N 3.38Å; N201-F203 VanDerWaalsContact C-N 3.32Å; N201-F203 PolarHBondContact O-N 2.99Å; N201-V204 PolarHBondContact O-N 3.44Å; N201-S205 PolarHBondContact O-N 3.13Å
202Q98.3Very high98.3Very high51 Ų5138.4 Ų38.424%0.23819%0.188CC..Hα-helixtrans-62.9-40.3177.1-67.3-61.8-31.300111.8N27 E32 E198 K199 V204 S205 Q206N27-Q202 PolarHBondContact O-NE2 3.42Å; E32-Q202 PolarHBondContact OE1-NE2 2.92Å; E198-Q202 WeakPolarHBondContact O-CG 3.47Å; E198-Q202 PolarHBondContact O-N 3.3Å; K199-Q202 PolarHBondContact O-N 3Å; Q202-V204 PolarHBondContact O-N 3.09Å; Q202-S205 PolarHBondContact O-N 3.32Å; Q202-Q206 VanDerWaalsContact O-CG 3.28Å; Q202-Q206 WeakPolarHBondContact O-CG 3.31Å; Q202-Q206 PolarHBondContact O-N 3.21Å
203F98.1Very high98.2Very high20 Ų2042 Ų429%0.08820%0.202CC..Hα-helixtrans-59-47.4174.7-171.6-83.3000111.8L175 L178 M179 Y189 K199 G200 N201 H207L175-F203 HydrophobicContact CD2-CD1 4.36Å; L175-F203 HydrophobicContact CD2-CE1 4.33Å; L178-F203 HydrophobicContact CB-CE1 4.09Å; L178-F203 HydrophobicContact CB-CZ 4.07Å; M179-F203 HydrophobicContact CE-CD1 3.8Å; M179-F203 HydrophobicContact CE-CE1 4.4Å; M179-F203 HydrophobicContact CE-CG 4.38Å; M179-F203 HydrophobicContact CG-CD1 4.17Å; M179-F203 HydrophobicContact CG-CE1 3.89Å; M179-F203 HydrophobicContact CG-CZ 4.32Å; Y189-F203 HydrophobicContact CD1-CB 4.12Å; Y189-F203 HydrophobicContact CD1-CD2 4.42Å; Y189-F203 HydrophobicContact CD1-CG 4.4Å; Y189-F203 HydrophobicContact CE1-CB 4.01Å; Y189-F203 AromaticContact CE1-CD2 3.61Å; Y189-F203 HydrophobicContact CE1-CD2 3.61Å; Y189-F203 HydrophobicContact CE1-CE2 4.35Å; Y189-F203 HydrophobicContact CE1-CG 4.02Å; Y189-F203 HydrophobicContact CE2-CD2 4.43Å; Y189-F203 HydrophobicContact CE2-CE2 4.47Å; Y189-F203 AromaticContact CZ-CD2 3.63Å; Y189-F203 AromaticContact CZ-CE2 3.9Å; K199-F203 WeakPolarHBondContact O-CB 3.46Å; K199-F203 PolarHBondContact O-N 3.43Å; G200-F203 WeakPolarHBondContact O-CB 3.41Å; G200-F203 PolarHBondContact O-N 3.5Å; N201-F203 VanDerWaalsContact C-N 3.32Å; N201-F203 PolarHBondContact O-N 2.99Å; F203-H207 AromaticContact CD1-CE1 3.99Å; F203-H207 AromaticContact CD1-ND1 3.68Å; F203-H207 AromaticContact CD2-CE1 3.79Å; F203-H207 AromaticContact CE1-CE1 3.61Å; F203-H207 AromaticContact CE1-ND1 3.59Å; F203-H207 AromaticContact CE2-CE1 3.41Å; F203-H207 VanDerWaalsContact CE2-CE1 3.41Å; F203-H207 WeakPolarHBondContact CE2-CE1 3.26Å; F203-H207 AromaticContact CG-ND1 3.96Å; F203-H207 AromaticContact CZ-CE1 3.31Å; F203-H207 WeakPolarHBondContact CZ-CE1 3.48Å; F203-H207 AromaticContact CZ-ND1 3.81Å; F203-H207 AromaticContact CZ-NE2 3.78Å; F203-H207 PolarHBondContact O-N 3.41Å; F203-H207 PolarHBondContact O-ND1 2.92Å
204V98.7Very high98Very high0 Ų046 Ų460%023%0.229CC..Hα-helixtrans-62.2-47.7177.2173.10000111W29 L175 M179 L196 G200 N201 Q202 Q206 H207 L208W29-V204 HydrophobicContact CB-CB 4.06Å; W29-V204 HydrophobicContact CB-CG1 3.97Å; W29-V204 HydrophobicContact CD2-CG1 3.92Å; W29-V204 HydrophobicContact CE3-CG1 4.25Å; W29-V204 HydrophobicContact CG-CB 4.26Å; W29-V204 HydrophobicContact CG-CG1 3.81Å; L175-V204 HydrophobicContact CD1-CG2 3.64Å; L175-V204 HydrophobicContact CD2-CG2 3.95Å; L175-V204 HydrophobicContact CG-CG2 4.47Å; M179-V204 HydrophobicContact CE-CG2 4.26Å; L196-V204 HydrophobicContact CD1-CB 4.46Å; L196-V204 HydrophobicContact CD1-CG2 3.74Å; L196-V204 HydrophobicContact CD2-CG2 4.4Å; G200-V204 WeakPolarHBondContact O-CG2 3.43Å; G200-V204 PolarHBondContact O-N 2.98Å; N201-V204 PolarHBondContact O-N 3.44Å; Q202-V204 PolarHBondContact O-N 3.09Å; V204-Q206 PolarHBondContact O-N 3.04Å; V204-H207 PolarHBondContact O-N 3.08Å; V204-L208 WeakPolarHBondContact O-CB 3.35Å; V204-L208 PolarHBondContact O-N 3.4Å
205S98.4Very high97.8Very high4 Ų447.8 Ų47.83%0.02824%0.236CC..Hα-helixtrans-55-50.1179.2178.80000112E32 N201 Q202 H207 W209E32-S205 VanDerWaalsContact CB-OG 3.28Å; E32-S205 WeakPolarHBondContact CB-OG 3.43Å; N201-S205 PolarHBondContact O-N 3.13Å; Q202-S205 PolarHBondContact O-N 3.32Å; S205-H207 PolarHBondContact O-N 3.17Å; S205-W209 WeakPolarHBondContact O-CB 3.44Å; S205-W209 PolarHBondContact O-N 2.65Å
206Q98.1Very high97.6Very high121 Ų12146.4 Ų46.457%0.56523%0.23SC*.Hα-helixtrans-61.3-47.5-178-71.9171.6700112.3Q202 V204Q202-Q206 VanDerWaalsContact O-CG 3.28Å; Q202-Q206 WeakPolarHBondContact O-CG 3.31Å; Q202-Q206 PolarHBondContact O-N 3.21Å; V204-Q206 PolarHBondContact O-N 3.04Å
207H98.5Very high97.4Very high55 Ų5549.9 Ų49.926%0.25525%0.245SC..Hα-helixtrans-74.5-40.1-178.5-68.580.7000112L173 F203 V204 S205 W209 T210L173-H207 HydrophobicContact CD1-CB 3.6Å; L173-H207 HydrophobicContact CD2-CB 4.33Å; F203-H207 AromaticContact CD1-CE1 3.99Å; F203-H207 AromaticContact CD1-ND1 3.68Å; F203-H207 AromaticContact CD2-CE1 3.79Å; F203-H207 AromaticContact CE1-CE1 3.61Å; F203-H207 AromaticContact CE1-ND1 3.59Å; F203-H207 AromaticContact CE2-CE1 3.41Å; F203-H207 VanDerWaalsContact CE2-CE1 3.41Å; F203-H207 WeakPolarHBondContact CE2-CE1 3.26Å; F203-H207 AromaticContact CG-ND1 3.96Å; F203-H207 AromaticContact CZ-CE1 3.31Å; F203-H207 WeakPolarHBondContact CZ-CE1 3.48Å; F203-H207 AromaticContact CZ-ND1 3.81Å; F203-H207 AromaticContact CZ-NE2 3.78Å; F203-H207 PolarHBondContact O-N 3.41Å; F203-H207 PolarHBondContact O-ND1 2.92Å; V204-H207 PolarHBondContact O-N 3.08Å; S205-H207 PolarHBondContact O-N 3.17Å; H207-W209 VanDerWaalsContact C-N 3.26Å; H207-W209 PolarHBondContact O-N 3.15Å; H207-T210 WeakPolarHBondContact O-CB 3.28Å; H207-T210 PolarHBondContact O-N 3.03Å; H207-T210 VanDerWaalsContact O-N 3.17Å; H207-T210 PolarHBondContact O-OG1 3.5Å
208L98.6Very high97.2Very high0 Ų056.8 Ų56.80%028%0.275CS..Hα-helixtrans-61.7-36.8175.4-178.861.8000111.5W29 I33 T78 I124 I126 L173 V204 T210 L211 L212W29-L208 HydrophobicContact CE3-CD2 3.74Å; W29-L208 HydrophobicContact CZ3-CD2 3.49Å; W29-L208 VanDerWaalsContact CZ3-CD2 3.49Å; I33-L208 HydrophobicContact CG1-CD2 4.48Å; T78-L208 HydrophobicContact CG2-CD1 4.03Å; T78-L208 HydrophobicContact CG2-CD2 4.07Å; I124-L208 HydrophobicContact CD1-CD1 4.17Å; I124-L208 HydrophobicContact CG2-CD1 3.96Å; I126-L208 HydrophobicContact CD1-CD1 4.33Å; I126-L208 HydrophobicContact CD1-CD2 4.42Å; L173-L208 HydrophobicContact CD2-CB 4.06Å; V204-L208 WeakPolarHBondContact O-CB 3.35Å; V204-L208 PolarHBondContact O-N 3.4Å; L208-T210 PolarHBondContact O-N 3.22Å; L208-L211 PolarHBondContact O-N 2.98Å; L208-L212 HydrophobicContact CD1-CD1 4.39Å; L208-L212 HydrophobicContact CD1-CG 4.29Å; L208-L212 HydrophobicContact CD2-CD1 4.04Å; L208-L212 HydrophobicContact CG-CD1 3.77Å; L208-L212 HydrophobicContact CG-CG 4.12Å; L208-L212 PolarHBondContact O-N 3.42Å
209W98.3Very high97Very high60 Ų6052.7 Ų52.723%0.22726%0.257CS..Hα-helixtrans-59.1-35.4176.6-174.2-113.6000112.8I33 Q36 L37 S205 H207 L211 L212 K213 V216I33-W209 HydrophobicContact CD1-CB 4.36Å; I33-W209 HydrophobicContact CD1-CE3 3.9Å; Q36-W209 HydrophobicContact CB-CH2 4.03Å; Q36-W209 HydrophobicContact CB-CZ3 4.07Å; L37-W209 HydrophobicContact CD2-CH2 4.02Å; L37-W209 HydrophobicContact CD2-CZ3 4.13Å; L37-W209 HydrophobicContact CG-CH2 4.47Å; L37-W209 HydrophobicContact CG-CZ3 4.18Å; S205-W209 WeakPolarHBondContact O-CB 3.44Å; S205-W209 PolarHBondContact O-N 2.65Å; H207-W209 VanDerWaalsContact C-N 3.26Å; H207-W209 PolarHBondContact O-N 3.15Å; W209-L211 PolarHBondContact O-N 3.45Å; W209-L212 HydrophobicContact CE3-CB 4.23Å; W209-L212 PolarHBondContact O-N 2.81Å; W209-K213 VanDerWaalsContact O-CB 3.3Å; W209-K213 WeakPolarHBondContact O-CB 3.31Å; W209-K213 PolarHBondContact O-N 2.8Å; W209-V216 HydrophobicContact CH2-CG2 3.92Å; W209-V216 HydrophobicContact CZ3-CG2 4.05Å
210T97.7Very high96.8Very high100 Ų10051.3 Ų51.361%0.61326%0.26SS*.Hα-helixtrans-60.1-28.5176.571.40000113.2H207 L208H207-T210 WeakPolarHBondContact O-CB 3.28Å; H207-T210 PolarHBondContact O-N 3.03Å; H207-T210 VanDerWaalsContact O-N 3.17Å; H207-T210 PolarHBondContact O-OG1 3.5Å; L208-T210 PolarHBondContact O-N 3.22Å
211L98Very high96.7Very high35 Ų3557.4 Ų57.418%0.18329%0.287CS..Hα-helixtrans-87.1-42.8175.5-58.5175.8000110.3I124 L173 L208 W209 K213 R215I124-L211 HydrophobicContact CD1-CB 3.87Å; I124-L211 HydrophobicContact CG2-CD1 3.64Å; L173-L211 HydrophobicContact CB-CD1 3.96Å; L208-L211 PolarHBondContact O-N 2.98Å; W209-L211 PolarHBondContact O-N 3.45Å; L211-K213 PolarHBondContact O-N 3.47Å; L211-R215 VanDerWaalsContact C-NH1 3.32Å; L211-R215 PolarHBondContact O-NH1 3.36Å
212L97.9Very high96.4Very high0 Ų057.7 Ų57.70%029%0.288CS..Hα-helixtrans-68.4-33.5-177.3-74.6175.1000113.4V12 I33 A76 I124 L208 W209 S214 R215 V216V12-L212 HydrophobicContact CG1-CD1 4.43Å; V12-L212 HydrophobicContact CG1-CD2 4.15Å; V12-L212 HydrophobicContact CG2-CD2 4.4Å; I33-L212 HydrophobicContact CD1-CD1 4.07Å; I33-L212 HydrophobicContact CG1-CD1 4.32Å; I33-L212 HydrophobicContact CG2-CD1 3.8Å; A76-L212 HydrophobicContact CB-CD2 3.48Å; A76-L212 VanDerWaalsContact CB-CD2 3.48Å; I124-L212 HydrophobicContact CD1-CD2 3.68Å; I124-L212 HydrophobicContact CD1-CG 4.11Å; L208-L212 HydrophobicContact CD1-CD1 4.39Å; L208-L212 HydrophobicContact CD1-CG 4.29Å; L208-L212 HydrophobicContact CD2-CD1 4.04Å; L208-L212 HydrophobicContact CG-CD1 3.77Å; L208-L212 HydrophobicContact CG-CG 4.12Å; L208-L212 PolarHBondContact O-N 3.42Å; W209-L212 HydrophobicContact CE3-CB 4.23Å; W209-L212 PolarHBondContact O-N 2.81Å; L212-S214 PolarHBondContact O-N 2.9Å; L212-R215 WeakPolarHBondContact O-CA 3.39Å; L212-R215 VanDerWaalsContact O-CB 3.31Å; L212-R215 WeakPolarHBondContact O-CB 3.37Å; L212-R215 PolarHBondContact O-N 3.21Å; L212-V216 WeakPolarHBondContact O-CG2 3.31Å; L212-V216 PolarHBondContact O-N 3.16Å
213K95.9Very high96.1Very high102 Ų10259.1 Ų59.144%0.44330%0.297SS..Hα-helixtrans-51.7-52-168.7-176.3-179.9175.6-1710113W209 L211 R215 V216 E217W209-K213 VanDerWaalsContact O-CB 3.3Å; W209-K213 WeakPolarHBondContact O-CB 3.31Å; W209-K213 PolarHBondContact O-N 2.8Å; L211-K213 PolarHBondContact O-N 3.47Å; K213-R215 PolarHBondContact O-N 2.97Å; K213-R215 VanDerWaalsContact O-N 3.11Å; K213-V216 PolarHBondContact O-N 3.41Å; K213-V216 VanDerWaalsContact O-N 3.08Å; K213-E217 WeakPolarHBondContact CE-OE2 3.46Å; K213-E217 HydrophobicContact CG-CB 4.22Å; K213-E217 VanDerWaalsContact O-CB 3.23Å; K213-E217 WeakPolarHBondContact O-CB 3.41Å; K213-E217 WeakPolarHBondContact O-CG 3.35Å; K213-E217 PolarHBondContact O-N 3.19Å
214S93.3Very high95.9Very high84 Ų8460.5 Ų60.559%0.58731%0.308SS*.Hα-helixtrans-63.8-19.3-179.159.10000113.9L212L212-S214 PolarHBondContact O-N 2.9Å
215R94.7Very high95.7Very high47 Ų4766.5 Ų66.518%0.17733%0.331CS..Hα-helixtrans-87.3-16.9179.5-57.2172.1167.393.8-4.6112.7D121 D171 L211 L212 K213D121-R215 VanDerWaalsContact O-CZ 3.26Å; D121-R215 PolarHBondContact O-NE 3.35Å; D121-R215 PolarHBondContact O-NH2 2.93Å; D171-R215 VanDerWaalsContact CG-NH2 3.32Å; D171-R215 IonicContact OD2-CZ 3.58Å; D171-R215 IonicContact OD2-NH1 2.72Å; D171-R215 PolarHBondContact OD2-NH1 3.37Å; D171-R215 IonicContact OD2-NH2 2.67Å; D171-R215 PolarHBondContact OD2-NH2 3.39Å; L211-R215 VanDerWaalsContact C-NH1 3.32Å; L211-R215 PolarHBondContact O-NH1 3.36Å; L212-R215 WeakPolarHBondContact O-CA 3.39Å; L212-R215 VanDerWaalsContact O-CB 3.31Å; L212-R215 WeakPolarHBondContact O-CB 3.37Å; L212-R215 PolarHBondContact O-N 3.21Å; K213-R215 PolarHBondContact O-N 2.97Å; K213-R215 VanDerWaalsContact O-N 3.11Å
216V95.7Very high95.5Very high2 Ų275.7 Ų75.71%0.01237%0.366CS..Hα-helixtrans-134.1-11.9-168.4-56.80000114.5V12 L37 A75 W209 L212 K213 E218 L219V12-V216 HydrophobicContact CG2-CG1 4.09Å; L37-V216 HydrophobicContact CD2-CB 3.85Å; L37-V216 HydrophobicContact CD2-CG1 4.42Å; L37-V216 HydrophobicContact CD2-CG2 3.68Å; A75-V216 HydrophobicContact CB-CG1 4.13Å; W209-V216 HydrophobicContact CH2-CG2 3.92Å; W209-V216 HydrophobicContact CZ3-CG2 4.05Å; L212-V216 WeakPolarHBondContact O-CG2 3.31Å; L212-V216 PolarHBondContact O-N 3.16Å; K213-V216 PolarHBondContact O-N 3.41Å; K213-V216 VanDerWaalsContact O-N 3.08Å; V216-E218 VanDerWaalsContact C-N 3.31Å; V216-E218 PolarHBondContact O-N 3.38Å; V216-L219 HydrophobicContact CB-CD1 3.97Å; V216-L219 HydrophobicContact CG1-CD1 4.2Å; V216-L219 VanDerWaalsContact O-CB 3.31Å; V216-L219 WeakPolarHBondContact O-CB 3.22Å; V216-L219 WeakPolarHBondContact O-CG 3.35Å; V216-L219 PolarHBondContact O-N 2.95Å; V216-L219 VanDerWaalsContact O-N 3.1Å
217E93.6Very high95.4Very high88 Ų8872 Ų7241%0.41136%0.361SS..THydrogen-bonded Turntrans-63.5-36.8-173.763.7-171.8160.600113K213 L219K213-E217 WeakPolarHBondContact CE-OE2 3.46Å; K213-E217 HydrophobicContact CG-CB 4.22Å; K213-E217 VanDerWaalsContact O-CB 3.23Å; K213-E217 WeakPolarHBondContact O-CB 3.41Å; K213-E217 WeakPolarHBondContact O-CG 3.35Å; K213-E217 PolarHBondContact O-N 3.19Å; E217-L219 PolarHBondContact O-N 2.92Å
218E94.3Very high95.2Very high167 Ų16775.5 Ų75.578%0.7838%0.381SS*.THydrogen-bonded Turntrans-78.7-1.8178.2-61-56131.300113.5V216V216-E218 VanDerWaalsContact C-N 3.31Å; V216-E218 PolarHBondContact O-N 3.38Å
219L94.8Very high95.1Very high35 Ų3577 Ų7718%0.18339%0.39CS..PPolyproline II helixtrans-68.7127.3176.7-65178.5000110.3P10 K40 C41 V216 E217P10-L219 HydrophobicContact CB-CD1 3.98Å; P10-L219 HydrophobicContact CB-CD2 4.25Å; P10-L219 HydrophobicContact CG-CD1 4.3Å; P10-L219 HydrophobicContact CG-CD2 3.96Å; K40-L219 HydrophobicContact CB-CB 4.25Å; K40-L219 WeakPolarHBondContact CD-O 3.28Å; K40-L219 WeakPolarHBondContact CE-O 3.42Å; K40-L219 PolarHBondContact NZ-O 3.2Å; C41-L219 HydrophobicContact CB-CD1 3.76Å; V216-L219 HydrophobicContact CB-CD1 3.97Å; V216-L219 HydrophobicContact CG1-CD1 4.2Å; V216-L219 VanDerWaalsContact O-CB 3.31Å; V216-L219 WeakPolarHBondContact O-CB 3.22Å; V216-L219 WeakPolarHBondContact O-CG 3.35Å; V216-L219 PolarHBondContact O-N 2.95Å; V216-L219 VanDerWaalsContact O-N 3.1Å; E217-L219 PolarHBondContact O-N 2.92Å
220P93.4Very high95Very high90 Ų9077.4 Ų77.458%0.58440%0.397SS*.PPolyproline II helixtrans-71.8159.5179.931.6-35.7000110.7I222P220-I222 PolarHBondContact O-N 3.42Å
221F94.8Very high94.9Very high128 Ų12878.4 Ų78.456%0.56141%0.405SS*.PPolyproline II helixtrans-64.3123160.5-78.9-68.5000109.1R39 K40R39-F221 HydrophobicContact CB-CD1 3.67Å; R39-F221 HydrophobicContact CB-CE1 4.18Å; R39-F221 CarbonylContact O-C 3.28Å; R39-F221 WeakPolarHBondContact O-CA 3.31Å; K40-F221 HydrophobicContact CG-CD1 4.03Å; K40-F221 HydrophobicContact CG-CE1 4.19Å
222I93.8Very high94.9Very high23 Ų2385.7 Ų85.712%0.11844%0.435CS..SBendtrans-77.9133.9174.3-68.2168.6000108I7 W9 R39 K40 P220I7-I222 HydrophobicContact CD1-CG2 4.36Å; I7-I222 HydrophobicContact CG2-CG2 3.65Å; W9-I222 HydrophobicContact CD2-CD1 3.71Å; W9-I222 HydrophobicContact CD2-CG2 4.44Å; W9-I222 HydrophobicContact CE3-CB 4.28Å; W9-I222 HydrophobicContact CE3-CD1 3.24Å; W9-I222 HydrophobicContact CE3-CG1 4.3Å; W9-I222 HydrophobicContact CE3-CG2 4.41Å; W9-I222 HydrophobicContact CG-CD1 4.34Å; W9-I222 HydrophobicContact CH2-CB 3.59Å; W9-I222 HydrophobicContact CH2-CD1 4.2Å; W9-I222 HydrophobicContact CH2-CG1 4.48Å; W9-I222 HydrophobicContact CH2-CG2 3.48Å; W9-I222 VanDerWaalsContact CH2-CG2 3.48Å; W9-I222 HydrophobicContact CZ2-CB 4.18Å; W9-I222 HydrophobicContact CZ2-CG2 3.54Å; W9-I222 HydrophobicContact CZ3-CB 3.65Å; W9-I222 HydrophobicContact CZ3-CD1 3.51Å; W9-I222 HydrophobicContact CZ3-CG1 4.1Å; W9-I222 HydrophobicContact CZ3-CG2 3.95Å; R39-I222 PolarHBondContact O-N 2.92Å; K40-I222 WeakPolarHBondContact O-CD1 3.45Å; P220-I222 PolarHBondContact O-N 3.42Å
223L92.4Very high94.7Very high81 Ų8191.4 Ų91.442%0.42446%0.462SS..SBendtrans65.8150.8-170.8-64.5169.3000114I7 R39I7-L223 HydrophobicContact CD1-CD1 4.03Å; I7-L223 HydrophobicContact CD1-CD2 3.62Å; I7-L223 HydrophobicContact CD1-CG 3.79Å; R39-L223 PolarHBondContact NH2-O 3.3Å
224P92.9Very high94.5Very high48 Ų4888.6 Ų88.631%0.31245%0.454SS..  trans-62.9160.4-17826-35.7000112.6R39 V229 L238R39-P224 PolarHBondContact NH2-O 2.87Å; R39-P224 VanDerWaalsContact NH2-O 3.13Å; P224-V229 HydrophobicContact CB-CG2 4.41Å; P224-V229 HydrophobicContact CG-CG2 3.87Å; P224-L238 HydrophobicContact CG-CD2 4.02Å
225Y94.6Very high94.4Very high126 Ų12690.3 Ų90.349%0.49445%0.452SS..  trans-64.9140162.6176.4-114000109G227 D228Y225-G227 PolarHBondContact O-N 3.23Å; Y225-G227 VanDerWaalsContact O-N 3.08Å; Y225-D228 PolarHBondContact O-N 3.3Å
226W94.6Very high94.1Very high198 Ų19891.5 Ų91.575%0.7547%0.468SS*.G310 helixtrans-58.7-29.1-172.472.9-89.4000113.1D228 V229W226-D228 VanDerWaalsContact C-N 3.26Å; W226-D228 PolarHBondContact O-N 2.93Å; W226-V229 PolarHBondContact O-N 3.42Å
227G96.3Very high93.6Very high44 Ų4492.5 Ų92.545%0.45448%0.479SS..G310 helixtrans-71.9-16.3177.500000114.5Y225Y225-G227 PolarHBondContact O-N 3.23Å; Y225-G227 VanDerWaalsContact O-N 3.08Å
228D94.4Very high93.4Very high128 Ų12892.2 Ų92.268%0.68448%0.48SS*.G310 helixtrans-93.1-3178.3-57.7-33.7000112.3Y225 W226Y225-D228 PolarHBondContact O-N 3.3Å; W226-D228 VanDerWaalsContact C-N 3.26Å; W226-D228 PolarHBondContact O-N 2.93Å
229V96.3Very high93.1Very high32 Ų3289.3 Ų89.319%0.19447%0.469CS..SBendtrans-81.2122.9177.9-178.60000109.5P224 W226 P231 P234 L238P224-V229 HydrophobicContact CB-CG2 4.41Å; P224-V229 HydrophobicContact CG-CG2 3.87Å; W226-V229 PolarHBondContact O-N 3.42Å; V229-P231 VanDerWaalsContact O-CD 3.28Å; V229-P231 WeakPolarHBondContact O-CD 3.24Å; V229-P234 HydrophobicContact CG1-CB 3.79Å; V229-L238 HydrophobicContact CG1-CD1 4.33Å; V229-L238 HydrophobicContact CG1-CG 4.31Å; V229-L238 HydrophobicContact CG2-CD2 4.13Å
230D95.4Very high92Very high68 Ų6891.4 Ų91.436%0.36449%0.486SS..  trans-64.6115.1174.8-179.1-2.9000110.2K232 Q233 P234D230-K232 PolarHBondContact O-N 3.37Å; D230-K232 VanDerWaalsContact O-N 3.16Å; D230-K232 WeakPolarHBondContact OD1-CB 3.37Å; D230-K232 PolarHBondContact OD1-N 3.42Å; D230-Q233 CarbonylContact O-C 3.5Å; D230-Q233 VanDerWaalsContact O-C 3.28Å; D230-Q233 PolarHBondContact O-N 2.63Å; D230-Q233 VanDerWaalsContact O-N 3.15Å; D230-P234 VanDerWaalsContact O-CA 3.31Å; D230-P234 WeakPolarHBondContact O-CA 3.3Å; D230-P234 WeakPolarHBondContact O-CD 3.44Å
231P95.8Very high90.5Very high121 Ų12195.8 Ų95.879%0.78650%0.504SS*.THydrogen-bonded Turntrans-66.9-16.4-179.128.9-36.5000113.3V229V229-P231 VanDerWaalsContact O-CD 3.28Å; V229-P231 WeakPolarHBondContact O-CD 3.24Å
232K97.1Very high90.2Very high188 Ų18894.2 Ų94.282%0.81750%0.501SS*.THydrogen-bonded Turntrans-89.1-23.5176.8-62.9-179.4-178.7175.20112.6D230D230-K232 PolarHBondContact O-N 3.37Å; D230-K232 VanDerWaalsContact O-N 3.16Å; D230-K232 WeakPolarHBondContact OD1-CB 3.37Å; D230-K232 PolarHBondContact OD1-N 3.42Å
233Q93.7Very high90.1Very high120 Ų12097.9 Ų97.956%0.56152%0.522SS*.  trans-144.659.4-177.8-62.7-169-14.600111.6D230 E235 S236D230-Q233 CarbonylContact O-C 3.5Å; D230-Q233 VanDerWaalsContact O-C 3.28Å; D230-Q233 PolarHBondContact O-N 2.63Å; D230-Q233 VanDerWaalsContact O-N 3.15Å; Q233-E235 PolarHBondContact O-N 3.05Å; Q233-S236 WeakPolarHBondContact O-CB 3.3Å; Q233-S236 PolarHBondContact O-N 3.1Å; Q233-S236 VanDerWaalsContact O-N 3.09Å; Q233-S236 PolarHBondContact O-OG 3.25Å
234P92.7Very high89.9Confident42 Ų4298.9 Ų98.927%0.27353%0.527SS..THydrogen-bonded Turntrans-62.1-29.1-172.825.6-35.2000113.1V229 D230 S236 G237 L238V229-P234 HydrophobicContact CG1-CB 3.79Å; D230-P234 VanDerWaalsContact O-CA 3.31Å; D230-P234 WeakPolarHBondContact O-CA 3.3Å; D230-P234 WeakPolarHBondContact O-CD 3.44Å; P234-S236 PolarHBondContact O-N 2.98Å; P234-G237 PolarHBondContact O-N 3.42Å; P234-L238 HydrophobicContact CB-CD1 4.2Å; P234-L238 WeakPolarHBondContact O-CB 3.16Å; P234-L238 VanDerWaalsContact O-CG 3.31Å; P234-L238 WeakPolarHBondContact O-CG 3.43Å; P234-L238 PolarHBondContact O-N 2.96Å
235E91.6Very high89.8Confident120 Ų120101.9 Ų101.956%0.56154%0.54SS*.Hα-helixtrans-60.7-29.9178-6184.5174.400112.5Q233 G237 L238 L239Q233-E235 PolarHBondContact O-N 3.05Å; E235-G237 VanDerWaalsContact C-N 3.27Å; E235-G237 PolarHBondContact O-N 3.4Å; E235-L238 PolarHBondContact O-N 3.12Å; E235-L239 HydrophobicContact CB-CD1 4.01Å; E235-L239 HydrophobicContact CB-CG 4.39Å; E235-L239 HydrophobicContact CG-CD1 4.13Å; E235-L239 WeakPolarHBondContact O-CB 3.34Å; E235-L239 PolarHBondContact O-N 3.07Å
236S87.3Confident89.5Confident73 Ų73100.4 Ų100.451%0.5154%0.543SS..Hα-helixtrans-64-31.1-178.867.70000113.2Q233 P234 C240Q233-S236 WeakPolarHBondContact O-CB 3.3Å; Q233-S236 PolarHBondContact O-N 3.1Å; Q233-S236 VanDerWaalsContact O-N 3.09Å; Q233-S236 PolarHBondContact O-OG 3.25Å; P234-S236 PolarHBondContact O-N 2.98Å; S236-C240 WeakPolarHBondContact O-CB 3.42Å
237G85.4Confident89.1Confident23 Ų2393.9 Ų93.924%0.23753%0.529CS..Hα-helixtrans-104.5-17.2177.400000114.7P234 E235 C240P234-G237 PolarHBondContact O-N 3.42Å; E235-G237 VanDerWaalsContact C-N 3.27Å; E235-G237 PolarHBondContact O-N 3.4Å; G237-C240 PolarHBondContact O-SG 2.98Å; G237-C240 VanDerWaalsContact O-SG 3.32Å
238L90.3Very high88.6Confident82 Ų8297.4 Ų97.443%0.42953%0.534SS..Hα-helixtrans-98.4-21.7-178.4-65.1178.6000113.9P224 V229 P234 E235P224-L238 HydrophobicContact CG-CD2 4.02Å; V229-L238 HydrophobicContact CG1-CD1 4.33Å; V229-L238 HydrophobicContact CG1-CG 4.31Å; V229-L238 HydrophobicContact CG2-CD2 4.13Å; P234-L238 HydrophobicContact CB-CD1 4.2Å; P234-L238 WeakPolarHBondContact O-CB 3.16Å; P234-L238 VanDerWaalsContact O-CG 3.31Å; P234-L238 WeakPolarHBondContact O-CG 3.43Å; P234-L238 PolarHBondContact O-N 2.96Å; E235-L238 PolarHBondContact O-N 3.12Å
239L88.2Confident88.2Confident105 Ų10595.1 Ų95.155%0.5552%0.523SS..SBendtrans-114.57.2179-55.7-178.9000112.8E235E235-L239 HydrophobicContact CB-CD1 4.01Å; E235-L239 HydrophobicContact CB-CG 4.39Å; E235-L239 HydrophobicContact CG-CD1 4.13Å; E235-L239 WeakPolarHBondContact O-CB 3.34Å; E235-L239 PolarHBondContact O-N 3.07Å
240C71.1Confident87.5Confident79 Ų79100.3 Ų100.353%0.53455%0.55SS.*  trans-71158.3172.561.10000111.4S236 G237S236-C240 WeakPolarHBondContact O-CB 3.42Å; G237-C240 PolarHBondContact O-SG 2.98Å; G237-C240 VanDerWaalsContact O-SG 3.32Å
241D61Low86.7Confident183 Ų183103.3 Ų103.398%0.97957%0.567SS**  trans-710176.1-74.1-20.6000112.6K5K5-D241 VanDerWaalsContact CD-OD1 3.24Å; K5-D241 WeakPolarHBondContact CD-OD1 3.43Å; K5-D241 VanDerWaalsContact CE-OD1 3.27Å; K5-D241 WeakPolarHBondContact CE-OD1 3.46Å; K5-D241 IonicContact NZ-OD1 3.29Å; K5-D241 PolarHBondContact NZ-OD1 3.17Å; K5-D241 IonicContact NZ-OD2 3.67Å; K5-D241 PolarHBondContact NZ-OD2 3.36Å

Retrieved 241 of 241 residues in 165.6 ms (Link to these results)

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