A0A093HTQ5_STRCA Loading...

Claudin

Claudins function as major constituents of the tight junction complexes that regulate the permeability of epithelia.

AlphaFold DB , UniProt , Accession A0A093HTQ5, Species STRCA (Struthio camelus australis), Gene n/a, Length 211 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
1M44.5Very low79.4Confident230 Ų23062.8 Ų62.8100%1.13338%0.377SS*.  0121.60-70.4-171.2-104.200108.1S3M1-S3 PolarHBondContact O-N 3.04Å
2A51.4Low80.7Confident18 Ų1863 Ų6315%0.14938%0.379CS..  trans-63.3120.416700000108.4G4 K103 S185A2-G4 PolarHBondContact O-N 3.22Å; A2-K103 PolarHBondContact O-NZ 3.24Å; A2-S185 WeakPolarHBondContact CB-O 3.31Å
3S68.6Low82Confident78 Ų7861 Ų6155%0.54536%0.364SS..  trans-58.5136.7176.757.30000108.1M1 G5 L6M1-S3 PolarHBondContact O-N 3.04Å; S3-G5 PolarHBondContact O-N 3.2Å; S3-L6 PolarHBondContact O-N 2.66Å
4G76.7Confident83Confident40 Ų4056.6 Ų56.641%0.41234%0.338SS..Hα-helixtrans-53.4-26.7177.500000112.6A2 Q7 L8A2-G4 PolarHBondContact O-N 3.22Å; G4-Q7 PolarHBondContact O-N 3.39Å; G4-L8 WeakPolarHBondContact O-CB 3.33Å; G4-L8 PolarHBondContact O-N 3.42Å
5G84.5Confident84Confident47 Ų4758.1 Ų58.149%0.48534%0.339SS..Hα-helixtrans-61.5-39.8172.900000114.6S3 L8 L9S3-G5 PolarHBondContact O-N 3.2Å; G5-L8 PolarHBondContact O-N 3.42Å; G5-L9 VanDerWaalsContact O-CB 3.26Å; G5-L9 WeakPolarHBondContact O-CB 3.32Å; G5-L9 PolarHBondContact O-N 3.49Å
6L87.1Confident84.8Confident53 Ų5360.3 Ų60.328%0.27735%0.348SS..Hα-helixtrans-67.9-39.2178.8-174.765000111.6S3 G10 F181S3-L6 PolarHBondContact O-N 2.66Å; L6-G10 PolarHBondContact O-N 3.18Å; L6-F181 HydrophobicContact CD1-CB 4.3Å; L6-F181 HydrophobicContact CD1-CD1 3.91Å; L6-F181 HydrophobicContact CD1-CE1 4.48Å; L6-F181 HydrophobicContact CD1-CG 4.15Å
7Q88.4Confident85.6Confident7 Ų756.8 Ų56.83%0.03333%0.328CS..Hα-helixtrans-66.7-42.3177.1-168.3178.56.500111.3G4 G10 F11 G101 L182G4-Q7 PolarHBondContact O-N 3.39Å; Q7-G10 PolarHBondContact O-N 3.07Å; Q7-F11 WeakPolarHBondContact O-CB 3.49Å; Q7-F11 PolarHBondContact O-N 3.16Å; Q7-G101 PolarHBondContact NE2-O 2.94Å; Q7-L182 HydrophobicContact CG-CD2 3.88Å
8L90.5Very high86.3Confident101 Ų10155.9 Ų55.953%0.52932%0.318SS..Hα-helixtrans-64.4-46175.6-177.465.4000111.4G4 G5 G10 F11 V12G4-L8 WeakPolarHBondContact O-CB 3.33Å; G4-L8 PolarHBondContact O-N 3.42Å; G5-L8 PolarHBondContact O-N 3.42Å; L8-G10 PolarHBondContact O-N 3.34Å; L8-F11 PolarHBondContact O-N 2.88Å; L8-V12 HydrophobicContact CD1-CG2 4.41Å; L8-V12 WeakPolarHBondContact O-CG2 3.13Å; L8-V12 PolarHBondContact O-N 3.46Å
9L92.7Very high86.9Confident87 Ų8756.1 Ų56.146%0.45532%0.317SS..Hα-helixtrans-58.7-47.5176.3-179.967.6000111.1G5 F11 V12 L13G5-L9 VanDerWaalsContact O-CB 3.26Å; G5-L9 WeakPolarHBondContact O-CB 3.32Å; G5-L9 PolarHBondContact O-N 3.49Å; L9-F11 VanDerWaalsContact C-N 3.34Å; L9-F11 PolarHBondContact O-N 2.83Å; L9-V12 PolarHBondContact O-N 3.29Å; L9-L13 HydrophobicContact CD1-CD1 4.17Å; L9-L13 HydrophobicContact CD1-CG 4.37Å; L9-L13 HydrophobicContact CG-CD1 3.95Å; L9-L13 WeakPolarHBondContact O-CB 3.11Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 3.19Å
10G93.9Very high87.4Confident0 Ų053.8 Ų53.80%031%0.307CS..Hα-helixtrans-58.4-44.4176.900000112.6L6 Q7 L8 A14 G178L6-G10 PolarHBondContact O-N 3.18Å; Q7-G10 PolarHBondContact O-N 3.07Å; L8-G10 PolarHBondContact O-N 3.34Å; G10-A14 VanDerWaalsContact O-CB 3.29Å; G10-A14 WeakPolarHBondContact O-CB 3.39Å; G10-A14 PolarHBondContact O-N 3.01Å; G10-G178 CarbonylContact O-C 3.54Å; G10-G178 WeakPolarHBondContact O-CA 3.28Å
11F94.6Very high87.9Confident30 Ų3051.3 Ų51.313%0.13229%0.293CS..Hα-helixtrans-63.6-46.1176.1-179.6-101.3000112.6Q7 L8 L9 L13 A14 F15 I95 A98 V99 M102 L182Q7-F11 WeakPolarHBondContact O-CB 3.49Å; Q7-F11 PolarHBondContact O-N 3.16Å; L8-F11 PolarHBondContact O-N 2.88Å; L9-F11 VanDerWaalsContact C-N 3.34Å; L9-F11 PolarHBondContact O-N 2.83Å; F11-L13 PolarHBondContact O-N 2.99Å; F11-A14 PolarHBondContact O-N 3.48Å; F11-F15 VanDerWaalsContact O-CB 3.28Å; F11-F15 WeakPolarHBondContact O-CB 3.15Å; F11-F15 PolarHBondContact O-N 3.5Å; F11-I95 HydrophobicContact CE2-CG2 4.39Å; F11-I95 HydrophobicContact CZ-CG2 4.33Å; F11-A98 HydrophobicContact CD2-CB 3.97Å; F11-A98 HydrophobicContact CE2-CB 4.18Å; F11-V99 HydrophobicContact CE2-CG2 3.72Å; F11-V99 HydrophobicContact CZ-CG2 3.62Å; F11-M102 HydrophobicContact CB-SD 3.88Å; F11-M102 HydrophobicContact CD1-CE 3.81Å; F11-M102 HydrophobicContact CD1-SD 3.9Å; F11-M102 HydrophobicContact CD2-CE 3.96Å; F11-M102 HydrophobicContact CD2-SD 4.07Å; F11-M102 HydrophobicContact CE1-CE 3.79Å; F11-M102 HydrophobicContact CE1-SD 4.49Å; F11-M102 HydrophobicContact CE2-CE 3.94Å; F11-M102 HydrophobicContact CG-CE 3.9Å; F11-M102 HydrophobicContact CG-SD 3.66Å; F11-M102 HydrophobicContact CZ-CE 3.86Å; F11-L182 HydrophobicContact CB-CD2 4.42Å
12V95.9Very high90.4Very high65 Ų6543.2 Ų43.239%0.39425%0.253SS..Hα-helixtrans-62-45.2179.4170.80000111L8 L9 F15 L16L8-V12 HydrophobicContact CD1-CG2 4.41Å; L8-V12 WeakPolarHBondContact O-CG2 3.13Å; L8-V12 PolarHBondContact O-N 3.46Å; L9-V12 PolarHBondContact O-N 3.29Å; V12-F15 PolarHBondContact O-N 3.25Å; V12-L16 HydrophobicContact CG1-CD1 4.04Å; V12-L16 HydrophobicContact CG1-CG 4.46Å; V12-L16 WeakPolarHBondContact O-CB 3.4Å; V12-L16 WeakPolarHBondContact O-CG 3.33Å; V12-L16 PolarHBondContact O-N 3.02Å
13L96.7Very high92.6Very high37 Ų3746.1 Ų46.119%0.19427%0.266CS..Hα-helixtrans-61.8-44.5176.4-71.6169.1000111.7L9 F11 F15 L16 G17 L174 F181L9-L13 HydrophobicContact CD1-CD1 4.17Å; L9-L13 HydrophobicContact CD1-CG 4.37Å; L9-L13 HydrophobicContact CG-CD1 3.95Å; L9-L13 WeakPolarHBondContact O-CB 3.11Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 3.19Å; F11-L13 PolarHBondContact O-N 2.99Å; L13-F15 VanDerWaalsContact C-N 3.35Å; L13-F15 PolarHBondContact O-N 3.15Å; L13-L16 PolarHBondContact O-N 2.8Å; L13-G17 PolarHBondContact O-N 3.05Å; L13-L174 HydrophobicContact CD2-CD2 3.81Å; L13-F181 HydrophobicContact CD1-CD2 3.72Å; L13-F181 HydrophobicContact CD1-CE2 3.61Å
14A96.8Very high93.9Very high0 Ų042.4 Ų42.40%024%0.24CC..Hα-helixtrans-64.3-40.1178.300000112.2G10 F11 G17 W18 F126G10-A14 VanDerWaalsContact O-CB 3.29Å; G10-A14 WeakPolarHBondContact O-CB 3.39Å; G10-A14 PolarHBondContact O-N 3.01Å; F11-A14 PolarHBondContact O-N 3.48Å; A14-G17 PolarHBondContact O-N 3.11Å; A14-W18 PolarHBondContact O-N 3.1Å; A14-F126 HydrophobicContact CB-CB 4.46Å; A14-F126 HydrophobicContact CB-CD1 3.83Å; A14-F126 HydrophobicContact CB-CD2 3.77Å; A14-F126 HydrophobicContact CB-CE1 3.85Å; A14-F126 HydrophobicContact CB-CE2 3.79Å; A14-F126 HydrophobicContact CB-CG 3.78Å; A14-F126 HydrophobicContact CB-CZ 3.8Å
15F97.1Very high94.8Very high79 Ų7940.9 Ų40.935%0.34622%0.222SC..Hα-helixtrans-67-44.6177.6-176.7-109.1000112.3F11 V12 L13 G17 W18 I19 I95F11-F15 VanDerWaalsContact O-CB 3.28Å; F11-F15 WeakPolarHBondContact O-CB 3.15Å; F11-F15 PolarHBondContact O-N 3.5Å; V12-F15 PolarHBondContact O-N 3.25Å; L13-F15 VanDerWaalsContact C-N 3.35Å; L13-F15 PolarHBondContact O-N 3.15Å; F15-G17 VanDerWaalsContact C-N 3.33Å; F15-G17 PolarHBondContact O-N 3.19Å; F15-W18 HydrophobicContact CD2-CE3 4.4Å; F15-W18 HydrophobicContact CE2-CE3 4.19Å; F15-W18 HydrophobicContact CE2-CZ3 4.25Å; F15-W18 PolarHBondContact O-N 3.11Å; F15-I19 HydrophobicContact CD1-CD1 3.9Å; F15-I19 HydrophobicContact CE1-CD1 3.45Å; F15-I19 VanDerWaalsContact CE1-CD1 3.45Å; F15-I19 HydrophobicContact CE1-CG1 4.4Å; F15-I19 HydrophobicContact CZ-CD1 3.81Å; F15-I19 HydrophobicContact CZ-CG1 4.42Å; F15-I19 WeakPolarHBondContact O-CG1 3.26Å; F15-I19 PolarHBondContact O-N 3.1Å; F15-I95 HydrophobicContact CD2-CD1 3.77Å; F15-I95 HydrophobicContact CD2-CG1 4.24Å; F15-I95 HydrophobicContact CE2-CD1 4.01Å
16L97.9Very high95.3Very high93 Ų9341.5 Ų41.549%0.48722%0.223SC..Hα-helixtrans-62.5-41173.4-71174.6000111.6V12 L13 W18 I19 G20V12-L16 HydrophobicContact CG1-CD1 4.04Å; V12-L16 HydrophobicContact CG1-CG 4.46Å; V12-L16 WeakPolarHBondContact O-CB 3.4Å; V12-L16 WeakPolarHBondContact O-CG 3.33Å; V12-L16 PolarHBondContact O-N 3.02Å; L13-L16 PolarHBondContact O-N 2.8Å; L16-W18 VanDerWaalsContact C-N 3.35Å; L16-W18 PolarHBondContact O-N 3.48Å; L16-I19 PolarHBondContact O-N 2.94Å; L16-G20 PolarHBondContact O-N 2.74Å
17G97.7Very high95.6Very high0 Ų040.7 Ų40.70%022%0.218CC..Hα-helixtrans-58.4-45.3172.500000112L13 A14 F15 I19 G20 I21 A171L13-G17 PolarHBondContact O-N 3.05Å; A14-G17 PolarHBondContact O-N 3.11Å; F15-G17 VanDerWaalsContact C-N 3.33Å; F15-G17 PolarHBondContact O-N 3.19Å; G17-I19 PolarHBondContact O-N 3.12Å; G17-G20 PolarHBondContact O-N 3.15Å; G17-I21 WeakPolarHBondContact O-CG1 3.28Å; G17-I21 PolarHBondContact O-N 3.46Å; G17-A171 VanDerWaalsContact CA-O 3.31Å; G17-A171 WeakPolarHBondContact CA-O 3.46Å; G17-A171 WeakPolarHBondContact O-CB 3.44Å
18W98.1Very high95.7Very high41 Ų4142 Ų4216%0.15523%0.228CC..Hα-helixtrans-62-43.6176.6179.276000113.1A14 F15 L16 G20 I21 I22 I88 L92 I95 F126A14-W18 PolarHBondContact O-N 3.1Å; F15-W18 HydrophobicContact CD2-CE3 4.4Å; F15-W18 HydrophobicContact CE2-CE3 4.19Å; F15-W18 HydrophobicContact CE2-CZ3 4.25Å; F15-W18 PolarHBondContact O-N 3.11Å; L16-W18 VanDerWaalsContact C-N 3.35Å; L16-W18 PolarHBondContact O-N 3.48Å; W18-G20 VanDerWaalsContact C-N 3.31Å; W18-G20 PolarHBondContact O-N 3.24Å; W18-I21 PolarHBondContact O-N 2.66Å; W18-I22 HydrophobicContact CD2-CD1 3.88Å; W18-I22 HydrophobicContact CE3-CD1 3.85Å; W18-I22 HydrophobicContact CH2-CD1 3.5Å; W18-I22 HydrophobicContact CZ2-CD1 3.54Å; W18-I22 HydrophobicContact CZ3-CD1 3.65Å; W18-I22 PolarHBondContact O-N 2.89Å; W18-I22 VanDerWaalsContact O-N 3.14Å; W18-I88 HydrophobicContact CZ2-CG2 4.45Å; W18-I88 PolarHBondContact NE1-O 3.44Å; W18-L92 HydrophobicContact CH2-CD1 4.38Å; W18-L92 HydrophobicContact CZ2-CB 4.15Å; W18-L92 HydrophobicContact CZ2-CD1 4.08Å; W18-I95 HydrophobicContact CD2-CD1 3.62Å; W18-I95 HydrophobicContact CE3-CD1 3.62Å; W18-I95 HydrophobicContact CG-CD1 4.1Å; W18-I95 HydrophobicContact CH2-CD1 4.3Å; W18-I95 HydrophobicContact CZ2-CD1 4.29Å; W18-I95 HydrophobicContact CZ3-CD1 3.99Å; W18-F126 HydrophobicContact CB-CE1 4.26Å
19I98.1Very high95.8Very high59 Ų5940.3 Ų40.330%0.30322%0.217SC..Hα-helixtrans-59.7-44.1173.1-67.8171.2000110.5F15 L16 G17 I21 I22 I23F15-I19 HydrophobicContact CD1-CD1 3.9Å; F15-I19 HydrophobicContact CE1-CD1 3.45Å; F15-I19 VanDerWaalsContact CE1-CD1 3.45Å; F15-I19 HydrophobicContact CE1-CG1 4.4Å; F15-I19 HydrophobicContact CZ-CD1 3.81Å; F15-I19 HydrophobicContact CZ-CG1 4.42Å; F15-I19 WeakPolarHBondContact O-CG1 3.26Å; F15-I19 PolarHBondContact O-N 3.1Å; L16-I19 PolarHBondContact O-N 2.94Å; G17-I19 PolarHBondContact O-N 3.12Å; I19-I21 VanDerWaalsContact C-N 3.3Å; I19-I21 PolarHBondContact O-N 2.77Å; I19-I22 WeakPolarHBondContact O-CB 3.25Å; I19-I22 PolarHBondContact O-N 2.89Å; I19-I22 VanDerWaalsContact O-N 3.13Å; I19-I23 HydrophobicContact CG2-CD1 3.73Å; I19-I23 HydrophobicContact CG2-CG1 4.29Å; I19-I23 WeakPolarHBondContact O-CG1 2.81Å; I19-I23 PolarHBondContact O-N 3.25Å
20G97.4Very high95.8Very high11 Ų1136.1 Ų36.111%0.11320%0.195CC..Hα-helixtrans-60.1-37.4176.900000113.2L16 G17 W18 I23 S24L16-G20 PolarHBondContact O-N 2.74Å; G17-G20 PolarHBondContact O-N 3.15Å; W18-G20 VanDerWaalsContact C-N 3.31Å; W18-G20 PolarHBondContact O-N 3.24Å; G20-I23 PolarHBondContact O-N 3.42Å; G20-S24 WeakPolarHBondContact O-CB 3.29Å; G20-S24 PolarHBondContact O-N 3.43Å
21I97.6Very high95.6Very high2 Ų237.7 Ų37.71%0.0120%0.202CC..Hα-helixtrans-63.9-42174.9-67.6168.3000110.1G17 W18 I19 T25 M84 A87 I88 A133 A171 A175G17-I21 WeakPolarHBondContact O-CG1 3.28Å; G17-I21 PolarHBondContact O-N 3.46Å; W18-I21 PolarHBondContact O-N 2.66Å; I19-I21 VanDerWaalsContact C-N 3.3Å; I19-I21 PolarHBondContact O-N 2.77Å; I21-T25 WeakPolarHBondContact O-CB 3.49Å; I21-T25 PolarHBondContact O-N 3.01Å; I21-T25 PolarHBondContact O-OG1 3.18Å; I21-M84 HydrophobicContact CG2-CE 3.9Å; I21-A87 HydrophobicContact CG2-CB 4.45Å; I21-I88 HydrophobicContact CG2-CD1 4.5Å; I21-I88 HydrophobicContact CG2-CG1 3.78Å; I21-A133 HydrophobicContact CD1-CB 3.81Å; I21-A133 HydrophobicContact CG1-CB 4Å; I21-A133 HydrophobicContact CG2-CB 4.28Å; I21-A171 HydrophobicContact CG1-CB 3.9Å; I21-A175 HydrophobicContact CD1-CB 4.33Å
22I97.6Very high95.3Very high59 Ų5938.2 Ų38.230%0.30321%0.205SC..Hα-helixtrans-62.4-49.1176-65.5168.6000110.6W18 I19 S24 T25 A26 I88W18-I22 HydrophobicContact CD2-CD1 3.88Å; W18-I22 HydrophobicContact CE3-CD1 3.85Å; W18-I22 HydrophobicContact CH2-CD1 3.5Å; W18-I22 HydrophobicContact CZ2-CD1 3.54Å; W18-I22 HydrophobicContact CZ3-CD1 3.65Å; W18-I22 PolarHBondContact O-N 2.89Å; W18-I22 VanDerWaalsContact O-N 3.14Å; I19-I22 WeakPolarHBondContact O-CB 3.25Å; I19-I22 PolarHBondContact O-N 2.89Å; I19-I22 VanDerWaalsContact O-N 3.13Å; I22-S24 PolarHBondContact O-N 3.04Å; I22-T25 PolarHBondContact O-N 2.88Å; I22-A26 WeakPolarHBondContact O-CB 3.47Å; I22-A26 PolarHBondContact O-N 3.42Å; I22-I88 HydrophobicContact CD1-CG2 4.4Å; I22-I88 HydrophobicContact CG1-CD1 4.07Å; I22-I88 HydrophobicContact CG1-CG1 3.98Å; I22-I88 HydrophobicContact CG1-CG2 4.03Å
23I97.1Very high94.7Very high80 Ų8035.3 Ų35.341%0.4119%0.188SC..Hα-helixtrans-59.8-49.9179.9-66.7169.9000110.2I19 G20 T25 A26 M27I19-I23 HydrophobicContact CG2-CD1 3.73Å; I19-I23 HydrophobicContact CG2-CG1 4.29Å; I19-I23 WeakPolarHBondContact O-CG1 2.81Å; I19-I23 PolarHBondContact O-N 3.25Å; G20-I23 PolarHBondContact O-N 3.42Å; I23-T25 VanDerWaalsContact C-N 3.27Å; I23-T25 PolarHBondContact O-N 3.3Å; I23-A26 PolarHBondContact O-N 3.08Å; I23-M27 HydrophobicContact CG2-CE 4.12Å; I23-M27 HydrophobicContact CG2-CG 4.28Å; I23-M27 HydrophobicContact CG2-SD 4.32Å; I23-M27 WeakPolarHBondContact O-CG 3.46Å; I23-M27 PolarHBondContact O-N 3.44Å
24S96.3Very high93.5Very high0 Ų038.5 Ų38.50%021%0.213CC..Hα-helixtrans-55.6-43.1176.2174.90000111.6G20 I22 A26 W30 A164 G168G20-S24 WeakPolarHBondContact O-CB 3.29Å; G20-S24 PolarHBondContact O-N 3.43Å; I22-S24 PolarHBondContact O-N 3.04Å; S24-A26 PolarHBondContact O-N 3.4Å; S24-W30 PolarHBondContact O-NE1 3.45Å; S24-A164 PolarHBondContact OG-O 2.92Å; S24-G168 WeakPolarHBondContact OG-CA 3.39Å
25T95.4Very high92.1Very high7 Ų741.3 Ų41.34%0.04322%0.224CC..Hα-helixtrans-66.6-37.1179.8-55.70000112.9I21 I22 I23 L50 W51 M84 I88I21-T25 WeakPolarHBondContact O-CB 3.49Å; I21-T25 PolarHBondContact O-N 3.01Å; I21-T25 PolarHBondContact O-OG1 3.18Å; I22-T25 PolarHBondContact O-N 2.88Å; I23-T25 VanDerWaalsContact C-N 3.27Å; I23-T25 PolarHBondContact O-N 3.3Å; T25-L50 HydrophobicContact CG2-CD2 4.18Å; T25-W51 HydrophobicContact CG2-CZ2 4.48Å; T25-W51 PolarHBondContact O-NE1 3.13Å; T25-W51 VanDerWaalsContact O-NE1 3.16Å; T25-M84 HydrophobicContact CG2-CB 4.1Å; T25-M84 WeakPolarHBondContact OG1-CE 3.42Å; T25-I88 HydrophobicContact CG2-CD1 4.09Å
26A94Very high89.9Confident60 Ų6042.2 Ų42.250%0.49625%0.246SC..Hα-helixtrans-79.2-29.4-178.200000113.1I22 I23 S24I22-A26 WeakPolarHBondContact O-CB 3.47Å; I22-A26 PolarHBondContact O-N 3.42Å; I23-A26 PolarHBondContact O-N 3.08Å; S24-A26 PolarHBondContact O-N 3.4Å
27M93.5Very high87.7Confident36 Ų3639.4 Ų39.418%0.17724%0.24CC..  trans-66.2141-175.4-80.4-163-6400113.2I23 Q29 W30 A164 I167I23-M27 HydrophobicContact CG2-CE 4.12Å; I23-M27 HydrophobicContact CG2-CG 4.28Å; I23-M27 HydrophobicContact CG2-SD 4.32Å; I23-M27 WeakPolarHBondContact O-CG 3.46Å; I23-M27 PolarHBondContact O-N 3.44Å; M27-Q29 PolarHBondContact O-N 3.46Å; M27-W30 VanDerWaalsContact O-CD1 3.3Å; M27-A164 HydrophobicContact CB-CB 3.97Å; M27-A164 VanDerWaalsContact CE-CA 3.48Å; M27-A164 HydrophobicContact CE-CB 3.72Å; M27-I167 HydrophobicContact CE-CB 4.12Å; M27-I167 HydrophobicContact CE-CD1 3.31Å; M27-I167 HydrophobicContact CE-CG1 4.24Å; M27-I167 HydrophobicContact CE-CG2 4.35Å; M27-I167 HydrophobicContact SD-CD1 4.24Å
28P91.1Very high85.4Confident36 Ų3646.8 Ų46.823%0.23428%0.28CS..SBendtrans-80.16.2177.133.3-35.4000113.7Y47 E48 G49 M52P28-Y47 CarbonylContact O-C 3.5Å; P28-E48 CarbonylContact O-C 3.5Å; P28-G49 VanDerWaalsContact C-CA 3.44Å; P28-G49 VanDerWaalsContact O-CA 3.26Å; P28-G49 WeakPolarHBondContact O-CA 3.01Å; P28-G49 PolarHBondContact O-N 3.02Å; P28-M52 HydrophobicContact CB-CG 3.82Å; P28-M52 HydrophobicContact CB-SD 4.33Å
29Q91.9Very high82.9Confident64 Ų6452 Ų5230%0.29931%0.31SS..  trans-107.851.5-167.2-68.4-170.8-37.800111.9M27 M32 Y47 G162 S163 A164M27-Q29 PolarHBondContact O-N 3.46Å; Q29-M32 HydrophobicContact CB-CE 3.52Å; Q29-M32 VanDerWaalsContact CD-CE 3.45Å; Q29-M32 HydrophobicContact CG-CE 3.63Å; Q29-Y47 HydrophobicContact CG-CD1 4.05Å; Q29-G162 CarbonylContact O-C 3.46Å; Q29-G162 WeakPolarHBondContact O-CA 3.5Å; Q29-S163 WeakPolarHBondContact CB-OG 3.18Å; Q29-S163 PolarHBondContact O-N 3.23Å; Q29-S163 PolarHBondContact OE1-OG 3.49Å; Q29-A164 WeakPolarHBondContact O-CB 3.4Å; Q29-A164 PolarHBondContact O-N 3.25Å
30W93.3Very high80.4Confident0 Ų057 Ų570%034%0.336CS..SBendtrans-82.9-37.5177.8-83.464000112.2S24 M27 E48 L50 T80 M84 T137 Y140 G162 A164 L165S24-W30 PolarHBondContact O-NE1 3.45Å; M27-W30 VanDerWaalsContact O-CD1 3.3Å; W30-E48 WeakPolarHBondContact CB-O 3.2Å; W30-E48 PolarHBondContact N-O 3.28Å; W30-E48 VanDerWaalsContact N-O 3.08Å; W30-L50 HydrophobicContact CD2-CD1 4.16Å; W30-L50 HydrophobicContact CE3-CD1 4.24Å; W30-L50 HydrophobicContact CH2-CD1 4.43Å; W30-L50 HydrophobicContact CZ2-CD1 4.36Å; W30-L50 HydrophobicContact CZ2-CD2 4.24Å; W30-L50 HydrophobicContact CZ3-CD1 4.38Å; W30-T80 HydrophobicContact CE3-CG2 4.38Å; W30-T80 HydrophobicContact CH2-CG2 3.76Å; W30-T80 HydrophobicContact CZ3-CG2 3.52Å; W30-M84 HydrophobicContact CH2-CE 4.11Å; W30-M84 HydrophobicContact CH2-CG 3.89Å; W30-M84 HydrophobicContact CH2-SD 3.98Å; W30-M84 HydrophobicContact CZ2-CE 4.02Å; W30-M84 HydrophobicContact CZ2-CG 4.23Å; W30-M84 HydrophobicContact CZ2-SD 4.44Å; W30-T137 HydrophobicContact CH2-CG2 3.68Å; W30-T137 HydrophobicContact CZ3-CG2 4.04Å; W30-Y140 HydrophobicContact CB-CE1 3.93Å; W30-Y140 AromaticContact CE3-CD1 3.65Å; W30-Y140 HydrophobicContact CE3-CD1 3.65Å; W30-Y140 HydrophobicContact CE3-CE1 4.02Å; W30-Y140 AromaticContact CE3-CG 3.9Å; W30-Y140 HydrophobicContact CE3-CG 3.9Å; W30-Y140 HydrophobicContact CZ3-CD1 4.3Å; W30-Y140 HydrophobicContact CZ3-CG 4.18Å; W30-G162 PolarHBondContact O-N 3.06Å; W30-G162 VanDerWaalsContact O-N 3.15Å; W30-A164 HydrophobicContact CG-CB 4.11Å; W30-L165 HydrophobicContact CD2-CD2 4.45Å; W30-L165 HydrophobicContact CE3-CD2 3.61Å; W30-L165 HydrophobicContact CE3-CG 4.34Å; W30-L165 HydrophobicContact CZ3-CD2 3.73Å; W30-L165 WeakPolarHBondContact O-CD1 3.45Å
31K89.9Confident78.4Confident32 Ų3262.7 Ų62.714%0.13937%0.368CS..EExtended strand (participates in β ladder)trans-139.415016865.6176.7-176.51660109.6E48 Y140 V144 F159 E160K31-E48 HydrophobicContact CD-CB 4.29Å; K31-E48 WeakPolarHBondContact CE-OE2 3.35Å; K31-E48 HydrophobicContact CG-CB 3.77Å; K31-E48 PolarHBondContact N-O 3.49Å; K31-E48 VanDerWaalsContact NZ-CD 3.26Å; K31-E48 IonicContact NZ-OE1 2.78Å; K31-E48 PolarHBondContact NZ-OE1 2.84Å; K31-E48 IonicContact NZ-OE2 3.43Å; K31-E48 PolarHBondContact NZ-OE2 3.38Å; K31-E48 PolarHBondContact O-N 2.92Å; K31-Y140 HydrophobicContact CB-CE1 4.46Å; K31-V144 HydrophobicContact CB-CG2 4.13Å; K31-V144 HydrophobicContact CD-CG2 4.45Å; K31-F159 HydrophobicContact CB-CB 4.18Å; K31-F159 HydrophobicContact CB-CD1 4.14Å; K31-F159 HydrophobicContact CB-CG 4.48Å; K31-F159 HydrophobicContact CD-CB 3.99Å; K31-F159 HydrophobicContact CD-CD1 3.6Å; K31-F159 HydrophobicContact CD-CD2 4.22Å; K31-F159 HydrophobicContact CD-CE1 4.07Å; K31-F159 HydrophobicContact CD-CG 3.68Å; K31-F159 HydrophobicContact CG-CB 4.38Å; K31-F159 HydrophobicContact CG-CD1 3.65Å; K31-F159 HydrophobicContact CG-CE1 4.18Å; K31-F159 HydrophobicContact CG-CG 4.16Å; K31-E160 WeakPolarHBondContact CA-O 3.13Å
32M88.1Confident76.3Confident41 Ų4165.8 Ų65.820%0.20239%0.388CS..EExtended strand (participates in β ladder)trans-127.7145-176.7-55.2-171.1173.300109.9Q29 L46 Y47 F159 E160Q29-M32 HydrophobicContact CB-CE 3.52Å; Q29-M32 VanDerWaalsContact CD-CE 3.45Å; Q29-M32 HydrophobicContact CG-CE 3.63Å; M32-L46 CarbonylContact C-O 3.01Å; M32-L46 WeakPolarHBondContact CA-O 3.1Å; M32-Y47 HydrophobicContact CB-CD1 4.3Å; M32-Y47 HydrophobicContact CB-CE1 4.43Å; M32-Y47 HydrophobicContact CE-CD1 3.83Å; M32-Y47 HydrophobicContact CE-CE1 3.86Å; M32-Y47 HydrophobicContact CG-CD1 3.67Å; M32-Y47 HydrophobicContact CG-CE1 3.95Å; M32-Y47 HydrophobicContact SD-CD1 3.82Å; M32-Y47 HydrophobicContact SD-CE1 3.55Å; M32-Y47 VanDerWaalsContact SD-CE1 3.55Å; M32-F159 CarbonylContact O-C 3.57Å; M32-F159 VanDerWaalsContact O-CA 3.31Å; M32-F159 WeakPolarHBondContact O-CA 3.48Å; M32-E160 PolarHBondContact N-O 3.08Å; M32-E160 PolarHBondContact O-N 3.07Å
33A83.8Confident74.5Confident4 Ų465.8 Ų65.83%0.03340%0.396CS..EExtended strand (participates in β ladder)trans-137.3124.5170.500000109Y35 L46 F159A33-Y35 HydrophobicContact CB-CD2 3.95Å; A33-Y35 HydrophobicContact CB-CE2 3.47Å; A33-Y35 VanDerWaalsContact CB-CE2 3.47Å; A33-L46 PolarHBondContact N-O 3.4Å; A33-L46 PolarHBondContact O-N 3.24Å; A33-F159 HydrophobicContact CB-CD1 3.57Å; A33-F159 HydrophobicContact CB-CE1 3.67Å; A33-F159 HydrophobicContact CB-CG 4.12Å; A33-F159 HydrophobicContact CB-CZ 4.3Å
34S71.4Confident73.1Confident104 Ų10464.3 Ų64.373%0.72739%0.388SS*.EExtended strand (participates in β ladder)trans-95.793.4176.2-61.90000107.8A36S34-A36 PolarHBondContact O-N 3.27Å
35Y67.3Low72.4Confident60 Ų6065.4 Ų65.424%0.23540%0.396CS..EExtended strand (participates in β ladder)trans-78.8124.1179.3-71.9-106.1000110.7A33 Q44 L46 N156 T157A33-Y35 HydrophobicContact CB-CD2 3.95Å; A33-Y35 HydrophobicContact CB-CE2 3.47Å; A33-Y35 VanDerWaalsContact CB-CE2 3.47Å; Y35-Q44 VanDerWaalsContact CB-O 3.31Å; Y35-Q44 WeakPolarHBondContact CB-O 3.31Å; Y35-Q44 PolarHBondContact N-O 3.3Å; Y35-Q44 VanDerWaalsContact N-O 3.13Å; Y35-L46 HydrophobicContact CD2-CB 4.48Å; Y35-L46 HydrophobicContact CD2-CD1 3.9Å; Y35-L46 HydrophobicContact CD2-CG 3.93Å; Y35-L46 HydrophobicContact CE2-CB 4.21Å; Y35-L46 HydrophobicContact CE2-CD1 3.34Å; Y35-L46 HydrophobicContact CE2-CG 3.8Å; Y35-N156 WeakPolarHBondContact CD1-O 3.2Å; Y35-N156 WeakPolarHBondContact CE1-O 3.27Å; Y35-T157 HydrophobicContact CE1-CG2 4.06Å; Y35-T157 WeakPolarHBondContact OH-CA 3.13Å
36A51.1Low71.9Confident97 Ų9767 Ų6780%0.80240%0.404SS*.  trans-131.880.715800000107.2S34S34-A36 PolarHBondContact O-N 3.27Å
37G51.1Low71.7Confident35 Ų3566.9 Ų66.936%0.36139%0.392SS..  trans-101.7154.2178.400000112.2N39G37-N39 CarbonylContact O-C 3.56Å; G37-N39 PolarHBondContact O-N 3.45Å
38D49.6Very low71.5Confident155 Ų15567.4 Ų67.483%0.82939%0.393SS*.SBendtrans-55.3-3.9-172.7-68.1-36.3000117.2I40D38-I40 PolarHBondContact O-N 3.26Å
39N44.7Very low71.5Confident150 Ų15065.7 Ų65.780%0.80238%0.382SS*.  trans-92.287.9168.4-71.7-33.5000109.1G37 V41G37-N39 CarbonylContact O-C 3.56Å; G37-N39 PolarHBondContact O-N 3.45Å; N39-V41 PolarHBondContact O-N 2.8Å
40I46.1Very low71.4Confident163 Ų16362.7 Ų62.784%0.83637%0.368SS*.THydrogen-bonded Turntrans-51-1.1-171.7-65.7164.5000116.1D38D38-I40 PolarHBondContact O-N 3.26Å
41V54.8Low71.3Confident131 Ų13167.4 Ų67.479%0.79439%0.386SS*.THydrogen-bonded Turntrans-84.5-25.6-168.3-172.40000113.9N39N39-V41 PolarHBondContact O-N 2.8Å
42T55Low71.3Confident68 Ų6868.7 Ų68.742%0.41739%0.393SS..  trans-153.2111.7170.459.80000113.4Q44T42-Q44 PolarHBondContact O-N 3.32Å; T42-Q44 PolarHBondContact OG1-NE2 3.46Å
43A58.1Low71.4Confident58 Ų5868.5 Ų68.548%0.47940%0.396SS..  trans-67.4126.7159.100000108.5S58A43-S58 PolarHBondContact O-N 3.19Å
44Q69.7Low71.6Confident50 Ų5068.7 Ų68.723%0.23440%0.397CS..EExtended strand (participates in β ladder)trans-133.6123.9-178.4-61.6-171.3400110.9Y35 T42 L46 M56 Q57Y35-Q44 VanDerWaalsContact CB-O 3.31Å; Y35-Q44 WeakPolarHBondContact CB-O 3.31Å; Y35-Q44 PolarHBondContact N-O 3.3Å; Y35-Q44 VanDerWaalsContact N-O 3.13Å; T42-Q44 PolarHBondContact O-N 3.32Å; T42-Q44 PolarHBondContact OG1-NE2 3.46Å; Q44-L46 HydrophobicContact CB-CD2 4.5Å; Q44-M56 CarbonylContact C-O 3.58Å; Q44-M56 VanDerWaalsContact CA-O 3.26Å; Q44-M56 WeakPolarHBondContact CA-O 3.46Å; Q44-Q57 HydrophobicContact CG-CG 3.79Å; Q44-Q57 VanDerWaalsContact NE2-NE2 3.15Å
45A80.1Confident72.4Confident22 Ų2264.8 Ų64.818%0.18237%0.371CS..EExtended strand (participates in β ladder)trans-87.8120.3166.900000108.6Y47 A55 M56A45-Y47 HydrophobicContact CB-CE2 3.91Å; A45-A55 CarbonylContact O-C 3.16Å; A45-A55 WeakPolarHBondContact O-CA 3.46Å; A45-M56 HydrophobicContact CB-CB 4.29Å; A45-M56 PolarHBondContact N-O 3.02Å; A45-M56 PolarHBondContact O-N 3.41Å
46L85.9Confident73.1Confident40 Ų4065.5 Ų65.521%0.20938%0.378CS..EExtended strand (participates in β ladder)trans-102.3127.3178.7-60.8-174.6000110M32 A33 Y35 Q44 A55M32-L46 CarbonylContact C-O 3.01Å; M32-L46 WeakPolarHBondContact CA-O 3.1Å; A33-L46 PolarHBondContact N-O 3.4Å; A33-L46 PolarHBondContact O-N 3.24Å; Y35-L46 HydrophobicContact CD2-CB 4.48Å; Y35-L46 HydrophobicContact CD2-CD1 3.9Å; Y35-L46 HydrophobicContact CD2-CG 3.93Å; Y35-L46 HydrophobicContact CE2-CB 4.21Å; Y35-L46 HydrophobicContact CE2-CD1 3.34Å; Y35-L46 HydrophobicContact CE2-CG 3.8Å; Q44-L46 HydrophobicContact CB-CD2 4.5Å; L46-A55 HydrophobicContact CD2-CB 3.46Å; L46-A55 VanDerWaalsContact CD2-CB 3.46Å
47Y88.8Confident74.6Confident59 Ų5963.4 Ų63.423%0.23135%0.351CS..EExtended strand (participates in β ladder)trans-115.4115.2173.7-56.1-84.8000107.9P28 Q29 M32 A45 S53 C54 M56P28-Y47 CarbonylContact O-C 3.5Å; Q29-Y47 HydrophobicContact CG-CD1 4.05Å; M32-Y47 HydrophobicContact CB-CD1 4.3Å; M32-Y47 HydrophobicContact CB-CE1 4.43Å; M32-Y47 HydrophobicContact CE-CD1 3.83Å; M32-Y47 HydrophobicContact CE-CE1 3.86Å; M32-Y47 HydrophobicContact CG-CD1 3.67Å; M32-Y47 HydrophobicContact CG-CE1 3.95Å; M32-Y47 HydrophobicContact SD-CD1 3.82Å; M32-Y47 HydrophobicContact SD-CE1 3.55Å; M32-Y47 VanDerWaalsContact SD-CE1 3.55Å; A45-Y47 HydrophobicContact CB-CE2 3.91Å; Y47-S53 CarbonylContact O-C 3.6Å; Y47-S53 WeakPolarHBondContact O-CA 3.45Å; Y47-C54 PolarHBondContact N-O 3.01Å; Y47-C54 PolarHBondContact O-N 3.1Å; Y47-M56 HydrophobicContact CE2-CB 4.38Å
48E89.4Confident75.8Confident46 Ų4665.9 Ų65.922%0.21536%0.363CS..EExtended strand (participates in β ladder)trans-106.7121.6175-75.8-174.2-140.500110P28 W30 K31 F159P28-E48 CarbonylContact O-C 3.5Å; W30-E48 WeakPolarHBondContact CB-O 3.2Å; W30-E48 PolarHBondContact N-O 3.28Å; W30-E48 VanDerWaalsContact N-O 3.08Å; K31-E48 HydrophobicContact CD-CB 4.29Å; K31-E48 WeakPolarHBondContact CE-OE2 3.35Å; K31-E48 HydrophobicContact CG-CB 3.77Å; K31-E48 PolarHBondContact N-O 3.49Å; K31-E48 VanDerWaalsContact NZ-CD 3.26Å; K31-E48 IonicContact NZ-OE1 2.78Å; K31-E48 PolarHBondContact NZ-OE1 2.84Å; K31-E48 IonicContact NZ-OE2 3.43Å; K31-E48 PolarHBondContact NZ-OE2 3.38Å; K31-E48 PolarHBondContact O-N 2.92Å; E48-F159 HydrophobicContact CG-CE1 4.32Å; E48-F159 WeakPolarHBondContact OE1-CZ 3.32Å
49G91.5Very high77.1Confident0 Ų063.2 Ų63.20%035%0.353CS..  trans-103-178.5178.100000112.8P28 M52P28-G49 VanDerWaalsContact C-CA 3.44Å; P28-G49 VanDerWaalsContact O-CA 3.26Å; P28-G49 WeakPolarHBondContact O-CA 3.01Å; P28-G49 PolarHBondContact O-N 3.02Å; G49-M52 VanDerWaalsContact CA-O 3.29Å; G49-M52 WeakPolarHBondContact CA-O 3.37Å; G49-M52 PolarHBondContact N-O 2.86Å
50L89.9Confident78.6Confident1 Ų158.5 Ų58.51%0.00534%0.339CS..SBendtrans-70.6-38174.3-143.370.4000111.4T25 W30 L77 T80 R81 M84T25-L50 HydrophobicContact CG2-CD2 4.18Å; W30-L50 HydrophobicContact CD2-CD1 4.16Å; W30-L50 HydrophobicContact CE3-CD1 4.24Å; W30-L50 HydrophobicContact CH2-CD1 4.43Å; W30-L50 HydrophobicContact CZ2-CD1 4.36Å; W30-L50 HydrophobicContact CZ2-CD2 4.24Å; W30-L50 HydrophobicContact CZ3-CD1 4.38Å; L50-L77 HydrophobicContact CD1-CD2 4Å; L50-L77 HydrophobicContact CD1-CG 4.38Å; L50-L77 HydrophobicContact CG-CD2 4.28Å; L50-T80 HydrophobicContact CD1-CG2 3.71Å; L50-R81 HydrophobicContact CD1-CG 4.22Å; L50-R81 HydrophobicContact CD2-CB 4.23Å; L50-R81 HydrophobicContact CD2-CG 3.64Å; L50-R81 HydrophobicContact CG-CG 3.49Å; L50-R81 VanDerWaalsContact CG-CG 3.49Å; L50-R81 PolarHBondContact O-NE 2.95Å; L50-R81 PolarHBondContact O-NH2 3.48Å; L50-M84 HydrophobicContact CD2-CB 4.36Å; L50-M84 HydrophobicContact CD2-CG 4.27Å
51W91Very high80.3Confident99 Ų9956.1 Ų56.138%0.37532%0.324SS..SBendtrans-111.4-20.9-174-5796.5000115.3T25 Y67 V85T25-W51 HydrophobicContact CG2-CZ2 4.48Å; T25-W51 PolarHBondContact O-NE1 3.13Å; T25-W51 VanDerWaalsContact O-NE1 3.16Å; W51-Y67 VanDerWaalsContact C-CD2 3.43Å; W51-Y67 VanDerWaalsContact O-CD2 3.23Å; W51-Y67 WeakPolarHBondContact O-CD2 3.43Å; W51-Y67 PolarHBondContact O-N 2.93Å; W51-V85 HydrophobicContact CH2-CG2 4.15Å; W51-V85 HydrophobicContact CZ2-CG2 3.88Å
52M90.1Very high81.8Confident59 Ų5955.1 Ų55.129%0.29131%0.313SS..EExtended strand (participates in β ladder)trans-147.6159.3-176.966.3-174.175.200110.1P28 G49 C64 K65 V66P28-M52 HydrophobicContact CB-CG 3.82Å; P28-M52 HydrophobicContact CB-SD 4.33Å; G49-M52 VanDerWaalsContact CA-O 3.29Å; G49-M52 WeakPolarHBondContact CA-O 3.37Å; G49-M52 PolarHBondContact N-O 2.86Å; M52-C64 HydrophobicContact SD-CB 4.43Å; M52-K65 WeakPolarHBondContact CA-O 3.32Å; M52-K65 WeakPolarHBondContact CB-O 3.46Å; M52-V66 HydrophobicContact CB-CG2 4.34Å
53S89.3Confident83.3Confident37 Ų3757.5 Ų57.526%0.25932%0.32SS..EExtended strand (participates in β ladder)trans-115.8135.1170.256.90000109.1Y47 C64 K65Y47-S53 CarbonylContact O-C 3.6Å; Y47-S53 WeakPolarHBondContact O-CA 3.45Å; S53-C64 WeakPolarHBondContact O-CA 3.23Å; S53-K65 PolarHBondContact N-O 3.43Å; S53-K65 PolarHBondContact O-N 2.88Å
54C89.1Confident84.8Confident9 Ų958.3 Ų58.36%0.06132%0.321CS..EExtended strand (participates in β ladder)trans-117.5137.5176.6-59.30000110.4Y47 Q63 C64Y47-C54 PolarHBondContact N-O 3.01Å; Y47-C54 PolarHBondContact O-N 3.1Å; C54-Q63 CarbonylContact C-O 3.54Å; C54-Q63 VanDerWaalsContact CA-O 3.32Å; C54-Q63 WeakPolarHBondContact CA-O 3.38Å; C54-C64 HydrophobicContact CB-CB 4.15Å; C54-C64 WeakPolarHBondContact CB-SG 3.4Å; C54-C64 WeakPolarHBondContact SG-CB 3.43Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.38Å
55A87.1Confident85.7Confident21 Ų2161.8 Ų61.817%0.17434%0.336CS..EExtended strand (participates in β ladder)trans-118.8129.9173.200000109.2A45 L46 I62 Q63A45-A55 CarbonylContact O-C 3.16Å; A45-A55 WeakPolarHBondContact O-CA 3.46Å; L46-A55 HydrophobicContact CD2-CB 3.46Å; L46-A55 VanDerWaalsContact CD2-CB 3.46Å; A55-I62 WeakPolarHBondContact O-CA 3.39Å; A55-Q63 PolarHBondContact N-O 3.06Å; A55-Q63 PolarHBondContact O-N 3.15Å
56M83.6Confident86.1Confident76 Ų7665.1 Ų65.137%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-105.6117.7172.6-174.2172.4-169.100108.8Q44 A45 Y47 I62Q44-M56 CarbonylContact C-O 3.58Å; Q44-M56 VanDerWaalsContact CA-O 3.26Å; Q44-M56 WeakPolarHBondContact CA-O 3.46Å; A45-M56 HydrophobicContact CB-CB 4.29Å; A45-M56 PolarHBondContact N-O 3.02Å; A45-M56 PolarHBondContact O-N 3.41Å; Y47-M56 HydrophobicContact CE2-CB 4.38Å; M56-I62 HydrophobicContact CB-CG1 4.22Å; M56-I62 HydrophobicContact CE-CD1 4.47Å; M56-I62 HydrophobicContact CE-CG1 4.45Å; M56-I62 HydrophobicContact CG-CG1 3.91Å; M56-I62 HydrophobicContact SD-CD1 4.39Å; M56-I62 HydrophobicContact SD-CG1 4.27Å
57Q81.8Confident86.1Confident52 Ų5265.6 Ų65.624%0.24335%0.353CS..EExtended strand (participates in β ladder)trans-90.4157.8177.7-85.3166.14.900111.9Q44 T59 G60 Q61Q44-Q57 HydrophobicContact CG-CG 3.79Å; Q44-Q57 VanDerWaalsContact NE2-NE2 3.15Å; Q57-T59 PolarHBondContact O-N 3.27Å; Q57-T59 VanDerWaalsContact O-N 3.09Å; Q57-G60 PolarHBondContact O-N 2.99Å; Q57-Q61 PolarHBondContact N-O 3.38Å
58S75.9Confident85.3Confident88 Ų8868.7 Ų68.762%0.61537%0.373SS*.THydrogen-bonded Turntrans-56.4-21174.952.80000114.5A43 G60A43-S58 PolarHBondContact O-N 3.19Å; S58-G60 PolarHBondContact O-N 3.45Å
59T76.8Confident84.4Confident99 Ų9969.9 Ų69.961%0.60739%0.387SS*.THydrogen-bonded Turntrans-72.7-1.3172.555.20000113.5Q57 Q61Q57-T59 PolarHBondContact O-N 3.27Å; Q57-T59 VanDerWaalsContact O-N 3.09Å; T59-Q61 PolarHBondContact O-N 3.13Å
60G77.1Confident83Confident50 Ų5074.7 Ų74.752%0.51541%0.412SS..SBendtrans79.50.6-17700000114.1Q57 S58Q57-G60 PolarHBondContact O-N 2.99Å; S58-G60 PolarHBondContact O-N 3.45Å
61Q82.1Confident81.5Confident114 Ų11483.1 Ų83.153%0.53346%0.456SS..  trans-78.2130.6175.8-68.4-171.7-23.600110.9Q57 T59Q57-Q61 PolarHBondContact N-O 3.38Å; T59-Q61 PolarHBondContact O-N 3.13Å
62I85.4Confident79.8Confident109 Ų10987.9 Ų87.956%0.55948%0.479SS*.EExtended strand (participates in β ladder)trans-104.4119.6170.8-61.4172.7000107.8A55 M56A55-I62 WeakPolarHBondContact O-CA 3.39Å; M56-I62 HydrophobicContact CB-CG1 4.22Å; M56-I62 HydrophobicContact CE-CD1 4.47Å; M56-I62 HydrophobicContact CE-CG1 4.45Å; M56-I62 HydrophobicContact CG-CG1 3.91Å; M56-I62 HydrophobicContact SD-CD1 4.39Å; M56-I62 HydrophobicContact SD-CG1 4.27Å
63Q87Confident78.8Confident118 Ų11886.6 Ų86.655%0.55147%0.474SS*.EExtended strand (participates in β ladder)trans-113.1115.8175-64.7-167.9-5.200109.6C54 A55C54-Q63 CarbonylContact C-O 3.54Å; C54-Q63 VanDerWaalsContact CA-O 3.32Å; C54-Q63 WeakPolarHBondContact CA-O 3.38Å; A55-Q63 PolarHBondContact N-O 3.06Å; A55-Q63 PolarHBondContact O-N 3.15Å
64C89.6Confident78.3Confident75 Ų7588.8 Ų88.851%0.50748%0.48SS..EExtended strand (participates in β ladder)trans-104.9128.8174.1-66.30000110M52 S53 C54M52-C64 HydrophobicContact SD-CB 4.43Å; S53-C64 WeakPolarHBondContact O-CA 3.23Å; C54-C64 HydrophobicContact CB-CB 4.15Å; C54-C64 WeakPolarHBondContact CB-SG 3.4Å; C54-C64 WeakPolarHBondContact SG-CB 3.43Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.38Å
65K88.4Confident77.9Confident124 Ų12492.8 Ų92.854%0.53951%0.508SS..EExtended strand (participates in β ladder)trans-120.3128.5176.9-171.5176.5177.7-175.20110.1M52 S53 D68M52-K65 WeakPolarHBondContact CA-O 3.32Å; M52-K65 WeakPolarHBondContact CB-O 3.46Å; S53-K65 PolarHBondContact N-O 3.43Å; S53-K65 PolarHBondContact O-N 2.88Å; K65-D68 WeakPolarHBondContact CE-OD2 3.49Å; K65-D68 IonicContact NZ-OD2 2.98Å; K65-D68 PolarHBondContact NZ-OD2 3.3Å
66V89Confident77.7Confident92 Ų9292.6 Ų92.656%0.55851%0.505SS*.EExtended strand (participates in β ladder)trans-75.3144.9172.3-178.60000108.9M52 D68M52-V66 HydrophobicContact CB-CG2 4.34Å; V66-D68 PolarHBondContact O-N 2.89Å; V66-D68 VanDerWaalsContact O-N 3.14Å
67Y84.9Confident77.9Confident49 Ų4989.4 Ų89.419%0.19249%0.489CS..  trans-68.9111.2178.2-63.3-72.2000111W51 S69 L73W51-Y67 VanDerWaalsContact C-CD2 3.43Å; W51-Y67 VanDerWaalsContact O-CD2 3.23Å; W51-Y67 WeakPolarHBondContact O-CD2 3.43Å; W51-Y67 PolarHBondContact O-N 2.93Å; Y67-S69 VanDerWaalsContact C-N 3.29Å; Y67-S69 PolarHBondContact O-N 3.43Å; Y67-L73 HydrophobicContact CD1-CD1 3.92Å; Y67-L73 HydrophobicContact CD2-CD2 4.43Å; Y67-L73 HydrophobicContact CE1-CD1 3.99Å; Y67-L73 HydrophobicContact CG-CD1 4.28Å; Y67-L73 HydrophobicContact CG-CD2 4.46Å
68D72.3Confident78.2Confident124 Ų12491.7 Ų91.766%0.66350%0.5SS*.SBendtrans-66.5-22.4-174.9-63.5-41.1000114.4K65 V66K65-D68 WeakPolarHBondContact CE-OD2 3.49Å; K65-D68 IonicContact NZ-OD2 2.98Å; K65-D68 PolarHBondContact NZ-OD2 3.3Å; V66-D68 PolarHBondContact O-N 2.89Å; V66-D68 VanDerWaalsContact O-N 3.14Å
69S69.8Low78.9Confident71 Ų7189.2 Ų89.250%0.49749%0.485SS..  trans-143.3117.4-176.7-640000111.9Y67 L71 K72Y67-S69 VanDerWaalsContact C-N 3.29Å; Y67-S69 PolarHBondContact O-N 3.43Å; S69-L71 PolarHBondContact O-N 3.33Å; S69-K72 PolarHBondContact O-N 3.46Å
70L62.5Low79.6Confident101 Ų10184.6 Ų84.653%0.52946%0.457SS..G310 helixtrans-62.3-32.4174.7-61.8178.9000112.1K72 L73L70-K72 VanDerWaalsContact C-N 3.34Å; L70-K72 PolarHBondContact O-N 2.86Å; L70-L73 PolarHBondContact O-N 3.42Å
71L57.9Low80.4Confident179 Ų17983 Ų8394%0.93744%0.435SS*.G310 helixtrans-72-22.8-176.8-125.185.9000114.4S69 L73S69-L71 PolarHBondContact O-N 3.33Å; L71-L73 VanDerWaalsContact C-N 3.35Å
72K56.7Low80.9Confident199 Ų19980.5 Ų80.587%0.86543%0.434SS*.G310 helixtrans-90-8.2178.7-164.1174.2179.7178.70111.9S69 L70S69-K72 PolarHBondContact O-N 3.46Å; L70-K72 VanDerWaalsContact C-N 3.34Å; L70-K72 PolarHBondContact O-N 2.86Å
73L69.4Low81.4Confident32 Ų3277.9 Ų77.917%0.16842%0.421CS..SBendtrans-87.3150.7-177.1-157.364.6000110.5Y67 L70 L71 S75 L77Y67-L73 HydrophobicContact CD1-CD1 3.92Å; Y67-L73 HydrophobicContact CD2-CD2 4.43Å; Y67-L73 HydrophobicContact CE1-CD1 3.99Å; Y67-L73 HydrophobicContact CG-CD1 4.28Å; Y67-L73 HydrophobicContact CG-CD2 4.46Å; L70-L73 PolarHBondContact O-N 3.42Å; L71-L73 VanDerWaalsContact C-N 3.35Å; L73-S75 PolarHBondContact O-N 3.47Å; L73-L77 HydrophobicContact CD1-CD1 4.09Å; L73-L77 HydrophobicContact CD2-CB 4.38Å; L73-L77 HydrophobicContact CD2-CD1 3.99Å; L73-L77 HydrophobicContact CD2-CD2 3.54Å; L73-L77 HydrophobicContact CD2-CG 4.17Å; L73-L77 HydrophobicContact CG-CB 4.35Å; L73-L77 HydrophobicContact CG-CD1 4.08Å; L73-L77 HydrophobicContact CG-CD2 4.35Å; L73-L77 HydrophobicContact CG-CG 4.49Å
74E78.3Confident81.8Confident82 Ų8272.3 Ų72.338%0.38340%0.395SS..  trans-66137.7-176.5-158.7-172133.700112.4S76 L77 Q78 R143E74-S76 PolarHBondContact O-N 3.26Å; E74-S76 VanDerWaalsContact O-N 3.12Å; E74-S76 PolarHBondContact OE1-OG 3.1Å; E74-L77 WeakPolarHBondContact O-CB 3.34Å; E74-L77 PolarHBondContact O-N 2.97Å; E74-Q78 PolarHBondContact O-N 3.15Å; E74-Q78 VanDerWaalsContact O-N 3.16Å; E74-R143 IonicContact OE1-CZ 2.8Å; E74-R143 IonicContact OE1-NE 2.67Å; E74-R143 PolarHBondContact OE1-NE 3.49Å; E74-R143 IonicContact OE1-NH1 3.4Å; E74-R143 PolarHBondContact OE1-NH1 3.32Å; E74-R143 IonicContact OE1-NH2 2.85Å; E74-R143 PolarHBondContact OE1-NH2 2.99Å; E74-R143 IonicContact OE2-CZ 2.62Å; E74-R143 IonicContact OE2-NH1 2.74Å; E74-R143 PolarHBondContact OE2-NH1 3.5Å; E74-R143 IonicContact OE2-NH2 2.68Å; E74-R143 PolarHBondContact OE2-NH2 3.16Å
75S81.1Confident82.2Confident93 Ų9371.3 Ų71.365%0.6539%0.386SS*.Hα-helixtrans-54.1-33.9-179.556.90000113.3L73 Q78 A79L73-S75 PolarHBondContact O-N 3.47Å; S75-Q78 PolarHBondContact O-N 3.4Å; S75-A79 WeakPolarHBondContact O-CB 3.32Å; S75-A79 PolarHBondContact O-N 2.91Å
76S83Confident82.6Confident17 Ų1767.4 Ų67.412%0.11938%0.377CS..Hα-helixtrans-63.3-41.3176.463.40000112.4E74 A79 T80 R143E74-S76 PolarHBondContact O-N 3.26Å; E74-S76 VanDerWaalsContact O-N 3.12Å; E74-S76 PolarHBondContact OE1-OG 3.1Å; S76-A79 PolarHBondContact O-N 3.11Å; S76-T80 PolarHBondContact O-N 2.92Å; S76-T80 PolarHBondContact O-OG1 3.35Å; S76-T80 VanDerWaalsContact O-OG1 3.09Å; S76-R143 PolarHBondContact OG-NH1 2.95Å
77L86.1Confident83Confident9 Ų963 Ų635%0.04735%0.351CS..Hα-helixtrans-70.2-39.3178.5-161165000110.7L50 L73 E74 A79 T80 R81 Y140L50-L77 HydrophobicContact CD1-CD2 4Å; L50-L77 HydrophobicContact CD1-CG 4.38Å; L50-L77 HydrophobicContact CG-CD2 4.28Å; L73-L77 HydrophobicContact CD1-CD1 4.09Å; L73-L77 HydrophobicContact CD2-CB 4.38Å; L73-L77 HydrophobicContact CD2-CD1 3.99Å; L73-L77 HydrophobicContact CD2-CD2 3.54Å; L73-L77 HydrophobicContact CD2-CG 4.17Å; L73-L77 HydrophobicContact CG-CB 4.35Å; L73-L77 HydrophobicContact CG-CD1 4.08Å; L73-L77 HydrophobicContact CG-CD2 4.35Å; L73-L77 HydrophobicContact CG-CG 4.49Å; E74-L77 WeakPolarHBondContact O-CB 3.34Å; E74-L77 PolarHBondContact O-N 2.97Å; L77-A79 PolarHBondContact O-N 2.96Å; L77-T80 PolarHBondContact O-N 2.93Å; L77-R81 HydrophobicContact CD2-CG 3.99Å; L77-R81 VanDerWaalsContact CD2-NE 3.25Å; L77-R81 WeakPolarHBondContact O-CG 3.47Å; L77-R81 PolarHBondContact O-N 3.01Å; L77-Y140 HydrophobicContact CG-CE2 4.41Å
78Q89.1Confident83.6Confident101 Ų10162.3 Ų62.347%0.47235%0.35SS..Hα-helixtrans-63.4-39.8174.2-171.7174.1-4.200112.3E74 S75 R81 A82E74-Q78 PolarHBondContact O-N 3.15Å; E74-Q78 VanDerWaalsContact O-N 3.16Å; S75-Q78 PolarHBondContact O-N 3.4Å; Q78-R81 WeakPolarHBondContact O-CB 3.39Å; Q78-R81 PolarHBondContact O-N 3.36Å; Q78-A82 PolarHBondContact O-N 3.37Å
79A89.7Confident84.8Confident35 Ų3561.3 Ų61.329%0.28934%0.344SS..Hα-helixtrans-63.2-44.617400000111.7S75 S76 L77 R81 A82 L83S75-A79 WeakPolarHBondContact O-CB 3.32Å; S75-A79 PolarHBondContact O-N 2.91Å; S76-A79 PolarHBondContact O-N 3.11Å; L77-A79 PolarHBondContact O-N 2.96Å; A79-R81 VanDerWaalsContact C-N 3.35Å; A79-R81 PolarHBondContact O-N 3.24Å; A79-A82 PolarHBondContact O-N 2.98Å; A79-L83 WeakPolarHBondContact O-CG 3.43Å; A79-L83 PolarHBondContact O-N 3.2Å
80T92.6Very high86.1Confident3 Ų361.1 Ų61.12%0.01834%0.337CS..Hα-helixtrans-59.8-42.6174.4-56.10000111.6W30 L50 S76 L77 L83 M84 A136 Y140W30-T80 HydrophobicContact CE3-CG2 4.38Å; W30-T80 HydrophobicContact CH2-CG2 3.76Å; W30-T80 HydrophobicContact CZ3-CG2 3.52Å; L50-T80 HydrophobicContact CD1-CG2 3.71Å; S76-T80 PolarHBondContact O-N 2.92Å; S76-T80 PolarHBondContact O-OG1 3.35Å; S76-T80 VanDerWaalsContact O-OG1 3.09Å; L77-T80 PolarHBondContact O-N 2.93Å; T80-L83 PolarHBondContact O-N 3.22Å; T80-M84 HydrophobicContact CG2-CG 4.32Å; T80-M84 WeakPolarHBondContact O-CB 3.42Å; T80-M84 VanDerWaalsContact O-CG 3.25Å; T80-M84 WeakPolarHBondContact O-CG 3.45Å; T80-M84 PolarHBondContact O-N 3.44Å; T80-A136 HydrophobicContact CG2-CB 4.15Å; T80-Y140 HydrophobicContact CG2-CD2 4.42Å
81R93.4Very high87.8Confident15 Ų1556.3 Ų56.36%0.05731%0.312CS..Hα-helixtrans-56.5-51.8173.1-75.7175.6-178.9177.42.3112.1L50 L77 Q78 A79 L83 M84 V85L50-R81 HydrophobicContact CD1-CG 4.22Å; L50-R81 HydrophobicContact CD2-CB 4.23Å; L50-R81 HydrophobicContact CD2-CG 3.64Å; L50-R81 HydrophobicContact CG-CG 3.49Å; L50-R81 VanDerWaalsContact CG-CG 3.49Å; L50-R81 PolarHBondContact O-NE 2.95Å; L50-R81 PolarHBondContact O-NH2 3.48Å; L77-R81 HydrophobicContact CD2-CG 3.99Å; L77-R81 VanDerWaalsContact CD2-NE 3.25Å; L77-R81 WeakPolarHBondContact O-CG 3.47Å; L77-R81 PolarHBondContact O-N 3.01Å; Q78-R81 WeakPolarHBondContact O-CB 3.39Å; Q78-R81 PolarHBondContact O-N 3.36Å; A79-R81 VanDerWaalsContact C-N 3.35Å; A79-R81 PolarHBondContact O-N 3.24Å; R81-L83 VanDerWaalsContact C-N 3.33Å; R81-L83 PolarHBondContact O-N 2.88Å; R81-M84 PolarHBondContact O-N 2.99Å; R81-V85 WeakPolarHBondContact O-CB 3.48Å; R81-V85 VanDerWaalsContact O-CG2 3.28Å; R81-V85 WeakPolarHBondContact O-CG2 3.47Å; R81-V85 PolarHBondContact O-N 3.03Å
82A93.3Very high89.7Confident63 Ų6351 Ų5152%0.52129%0.285SS..Hα-helixtrans-60.1-44.5-177.900000111.4Q78 A79 A86Q78-A82 PolarHBondContact O-N 3.37Å; A79-A82 PolarHBondContact O-N 2.98Å; A82-A86 VanDerWaalsContact O-CB 3.23Å; A82-A86 WeakPolarHBondContact O-CB 3.41Å; A82-A86 PolarHBondContact O-N 3.45Å
83L94.9Very high91.6Very high54 Ų5445.2 Ų45.228%0.28327%0.265SS..Hα-helixtrans-65.4-43.2178.2-71.1172.9000112.8A79 T80 R81 A86 A87 V135 A136A79-L83 WeakPolarHBondContact O-CG 3.43Å; A79-L83 PolarHBondContact O-N 3.2Å; T80-L83 PolarHBondContact O-N 3.22Å; R81-L83 VanDerWaalsContact C-N 3.33Å; R81-L83 PolarHBondContact O-N 2.88Å; L83-A86 PolarHBondContact O-N 3.49Å; L83-A87 WeakPolarHBondContact O-CB 3.48Å; L83-A87 PolarHBondContact O-N 2.93Å; L83-V135 HydrophobicContact CD1-CG1 4.47Å; L83-A136 HydrophobicContact CB-CB 3.69Å; L83-A136 HydrophobicContact CD1-CB 4.1Å
84M96.7Very high92.9Very high0 Ų043.7 Ų43.70%026%0.257CS..Hα-helixtrans-65.6-43.2177.8-68.4-61.8-70.200111.6I21 T25 W30 L50 T80 R81 A87 I88 A133 A136 T137I21-M84 HydrophobicContact CG2-CE 3.9Å; T25-M84 HydrophobicContact CG2-CB 4.1Å; T25-M84 WeakPolarHBondContact OG1-CE 3.42Å; W30-M84 HydrophobicContact CH2-CE 4.11Å; W30-M84 HydrophobicContact CH2-CG 3.89Å; W30-M84 HydrophobicContact CH2-SD 3.98Å; W30-M84 HydrophobicContact CZ2-CE 4.02Å; W30-M84 HydrophobicContact CZ2-CG 4.23Å; W30-M84 HydrophobicContact CZ2-SD 4.44Å; L50-M84 HydrophobicContact CD2-CB 4.36Å; L50-M84 HydrophobicContact CD2-CG 4.27Å; T80-M84 HydrophobicContact CG2-CG 4.32Å; T80-M84 WeakPolarHBondContact O-CB 3.42Å; T80-M84 VanDerWaalsContact O-CG 3.25Å; T80-M84 WeakPolarHBondContact O-CG 3.45Å; T80-M84 PolarHBondContact O-N 3.44Å; R81-M84 PolarHBondContact O-N 2.99Å; M84-A87 WeakPolarHBondContact O-CB 3.3Å; M84-A87 PolarHBondContact O-N 2.97Å; M84-I88 WeakPolarHBondContact O-CG1 3.45Å; M84-I88 PolarHBondContact O-N 3.32Å; M84-A133 HydrophobicContact SD-CB 4.15Å; M84-A136 HydrophobicContact CG-CB 4.01Å; M84-A136 HydrophobicContact SD-CB 3.78Å; M84-T137 HydrophobicContact CE-CG2 4.35Å; M84-T137 HydrophobicContact SD-CG2 4.04Å
85V96.8Very high93.7Very high54 Ų5440.8 Ų40.833%0.32725%0.245SC..Hα-helixtrans-64.5-43.5176.1173.30000110.9W51 R81 A87 I88 L89W51-V85 HydrophobicContact CH2-CG2 4.15Å; W51-V85 HydrophobicContact CZ2-CG2 3.88Å; R81-V85 WeakPolarHBondContact O-CB 3.48Å; R81-V85 VanDerWaalsContact O-CG2 3.28Å; R81-V85 WeakPolarHBondContact O-CG2 3.47Å; R81-V85 PolarHBondContact O-N 3.03Å; V85-A87 VanDerWaalsContact C-N 3.32Å; V85-A87 PolarHBondContact O-N 3.12Å; V85-I88 PolarHBondContact O-N 2.99Å; V85-L89 HydrophobicContact CG1-CD1 4.26Å; V85-L89 HydrophobicContact CG1-CG 4.49Å; V85-L89 WeakPolarHBondContact O-CG 3.28Å; V85-L89 PolarHBondContact O-N 3.47Å
86A96.9Very high94.3Very high42 Ų4242.8 Ų42.835%0.34724%0.242SC..Hα-helixtrans-60.1-42.217500000111.7A82 L83 I88 L89 L90A82-A86 VanDerWaalsContact O-CB 3.23Å; A82-A86 WeakPolarHBondContact O-CB 3.41Å; A82-A86 PolarHBondContact O-N 3.45Å; L83-A86 PolarHBondContact O-N 3.49Å; A86-I88 VanDerWaalsContact C-N 3.34Å; A86-I88 PolarHBondContact O-N 3.4Å; A86-L89 PolarHBondContact O-N 3.16Å; A86-L90 WeakPolarHBondContact O-CB 3.48Å; A86-L90 VanDerWaalsContact O-CG 3.28Å; A86-L90 WeakPolarHBondContact O-CG 3.25Å; A86-L90 PolarHBondContact O-N 2.99Å
87A97.1Very high94.7Very high0 Ų043.3 Ų43.30%024%0.244CC..Hα-helixtrans-60.9-4117500000112.3I21 L83 M84 V85 G91 A129 A132 A133I21-A87 HydrophobicContact CG2-CB 4.45Å; L83-A87 WeakPolarHBondContact O-CB 3.48Å; L83-A87 PolarHBondContact O-N 2.93Å; M84-A87 WeakPolarHBondContact O-CB 3.3Å; M84-A87 PolarHBondContact O-N 2.97Å; V85-A87 VanDerWaalsContact C-N 3.32Å; V85-A87 PolarHBondContact O-N 3.12Å; A87-G91 PolarHBondContact O-N 3.03Å; A87-A129 WeakPolarHBondContact CB-O 3.31Å; A87-A132 HydrophobicContact CB-CB 4.17Å; A87-A133 HydrophobicContact CB-CB 4.06Å
88I97.9Very high95Very high34 Ų3442.9 Ų42.917%0.17424%0.242CC..Hα-helixtrans-63.7-46.2176.3-67.5166.2000110.9W18 I21 I22 T25 M84 V85 A86 G91 L92W18-I88 HydrophobicContact CZ2-CG2 4.45Å; W18-I88 PolarHBondContact NE1-O 3.44Å; I21-I88 HydrophobicContact CG2-CD1 4.5Å; I21-I88 HydrophobicContact CG2-CG1 3.78Å; I22-I88 HydrophobicContact CD1-CG2 4.4Å; I22-I88 HydrophobicContact CG1-CD1 4.07Å; I22-I88 HydrophobicContact CG1-CG1 3.98Å; I22-I88 HydrophobicContact CG1-CG2 4.03Å; T25-I88 HydrophobicContact CG2-CD1 4.09Å; M84-I88 WeakPolarHBondContact O-CG1 3.45Å; M84-I88 PolarHBondContact O-N 3.32Å; V85-I88 PolarHBondContact O-N 2.99Å; A86-I88 VanDerWaalsContact C-N 3.34Å; A86-I88 PolarHBondContact O-N 3.4Å; I88-G91 PolarHBondContact O-N 3.26Å; I88-L92 PolarHBondContact O-N 2.97Å
89L98.1Very high95Very high104 Ų10440 Ų4055%0.54523%0.231SC..Hα-helixtrans-64.6-44.5179.1-67.7177000111.8V85 A86 G91 L92 V93V85-L89 HydrophobicContact CG1-CD1 4.26Å; V85-L89 HydrophobicContact CG1-CG 4.49Å; V85-L89 WeakPolarHBondContact O-CG 3.28Å; V85-L89 PolarHBondContact O-N 3.47Å; A86-L89 PolarHBondContact O-N 3.16Å; L89-G91 VanDerWaalsContact C-N 3.34Å; L89-G91 PolarHBondContact O-N 3.38Å; L89-L92 WeakPolarHBondContact O-CB 3.49Å; L89-L92 PolarHBondContact O-N 3.5Å; L89-V93 WeakPolarHBondContact O-CG2 3.46Å; L89-V93 PolarHBondContact O-N 3.34Å
90L97Very high94.9Very high66 Ų6641.1 Ų41.135%0.34624%0.235SC..Hα-helixtrans-61.9-42.9175.2-72.6174000111.4A86 L92 V93 A94 I125 I128 A129A86-L90 WeakPolarHBondContact O-CB 3.48Å; A86-L90 VanDerWaalsContact O-CG 3.28Å; A86-L90 WeakPolarHBondContact O-CG 3.25Å; A86-L90 PolarHBondContact O-N 2.99Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.45Å; L90-V93 PolarHBondContact O-N 2.94Å; L90-A94 WeakPolarHBondContact O-CB 3.45Å; L90-A94 PolarHBondContact O-N 3.25Å; L90-I125 HydrophobicContact CB-CG2 4.22Å; L90-I125 HydrophobicContact CD2-CG2 4.43Å; L90-I125 VanDerWaalsContact O-CG2 3.25Å; L90-I125 WeakPolarHBondContact O-CG2 3.45Å; L90-I128 HydrophobicContact CD1-CG2 4.12Å; L90-A129 HydrophobicContact CB-CB 3.92Å
91G97.1Very high94.4Very high1 Ų141 Ų411%0.0123%0.234CC..Hα-helixtrans-63.1-36.8175.600000112.9A87 I88 L89 A94 I95A87-G91 PolarHBondContact O-N 3.03Å; I88-G91 PolarHBondContact O-N 3.26Å; L89-G91 VanDerWaalsContact C-N 3.34Å; L89-G91 PolarHBondContact O-N 3.38Å; G91-A94 WeakPolarHBondContact O-CB 3.47Å; G91-A94 PolarHBondContact O-N 3.47Å; G91-I95 VanDerWaalsContact O-CG1 3.32Å; G91-I95 WeakPolarHBondContact O-CG1 3.39Å; G91-I95 PolarHBondContact O-N 2.86Å
92L97.6Very high93.9Very high68 Ų6841.2 Ų41.236%0.35624%0.236SC..Hα-helixtrans-62.7-46.7174.3-178.564.1000111.3W18 I88 L89 L90 A94 I95 F96W18-L92 HydrophobicContact CH2-CD1 4.38Å; W18-L92 HydrophobicContact CZ2-CB 4.15Å; W18-L92 HydrophobicContact CZ2-CD1 4.08Å; I88-L92 PolarHBondContact O-N 2.97Å; L89-L92 WeakPolarHBondContact O-CB 3.49Å; L89-L92 PolarHBondContact O-N 3.5Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.45Å; L92-A94 VanDerWaalsContact C-N 3.3Å; L92-A94 PolarHBondContact O-N 3.39Å; L92-I95 WeakPolarHBondContact O-CB 3.36Å; L92-I95 PolarHBondContact O-N 2.99Å; L92-F96 HydrophobicContact CD1-CD2 4.39Å; L92-F96 HydrophobicContact CD1-CE2 3.74Å; L92-F96 HydrophobicContact CD1-CZ 4.47Å; L92-F96 HydrophobicContact CD2-CE2 4.49Å; L92-F96 HydrophobicContact CG-CD2 4.29Å; L92-F96 HydrophobicContact CG-CE2 3.84Å; L92-F96 WeakPolarHBondContact O-CD2 3.46Å; L92-F96 PolarHBondContact O-N 3.32Å
93V97.1Very high92.8Very high76 Ų7642.2 Ų42.246%0.46123%0.228SC..Hα-helixtrans-60.5-42.1174.3175.50000110.7L89 L90 I95 F96 V97 I125L89-V93 WeakPolarHBondContact O-CG2 3.46Å; L89-V93 PolarHBondContact O-N 3.34Å; L90-V93 PolarHBondContact O-N 2.94Å; V93-I95 VanDerWaalsContact C-N 3.32Å; V93-I95 PolarHBondContact O-N 3.35Å; V93-F96 PolarHBondContact O-N 2.87Å; V93-V97 HydrophobicContact CG1-CG2 4.27Å; V93-V97 WeakPolarHBondContact O-CG2 3.36Å; V93-V97 PolarHBondContact O-N 3.32Å; V93-I125 HydrophobicContact CG1-CD1 4.42Å
94A96.1Very high91.4Very high0 Ų045.6 Ų45.60%026%0.255CS..Hα-helixtrans-60.1-39.9177.300000112.4L90 G91 L92 V97 A98 I125 F126L90-A94 WeakPolarHBondContact O-CB 3.45Å; L90-A94 PolarHBondContact O-N 3.25Å; G91-A94 WeakPolarHBondContact O-CB 3.47Å; G91-A94 PolarHBondContact O-N 3.47Å; L92-A94 VanDerWaalsContact C-N 3.3Å; L92-A94 PolarHBondContact O-N 3.39Å; A94-V97 PolarHBondContact O-N 3.34Å; A94-A98 WeakPolarHBondContact O-CB 3.36Å; A94-A98 PolarHBondContact O-N 3.42Å; A94-I125 HydrophobicContact CB-CB 3.81Å; A94-I125 HydrophobicContact CB-CG2 3.71Å; A94-F126 HydrophobicContact CB-CB 4.42Å; A94-F126 HydrophobicContact CB-CD1 3.93Å; A94-F126 HydrophobicContact CB-CD2 3.53Å; A94-F126 HydrophobicContact CB-CE1 4.06Å; A94-F126 HydrophobicContact CB-CE2 3.68Å; A94-F126 HydrophobicContact CB-CG 3.67Å; A94-F126 HydrophobicContact CB-CZ 3.97Å
95I95.7Very high90.1Very high22 Ų2248.3 Ų48.311%0.11327%0.269CS..Hα-helixtrans-58.9-53.2175.5-69.2164000110F11 F15 W18 G91 L92 V93 V97 A98 V99 F126F11-I95 HydrophobicContact CE2-CG2 4.39Å; F11-I95 HydrophobicContact CZ-CG2 4.33Å; F15-I95 HydrophobicContact CD2-CD1 3.77Å; F15-I95 HydrophobicContact CD2-CG1 4.24Å; F15-I95 HydrophobicContact CE2-CD1 4.01Å; W18-I95 HydrophobicContact CD2-CD1 3.62Å; W18-I95 HydrophobicContact CE3-CD1 3.62Å; W18-I95 HydrophobicContact CG-CD1 4.1Å; W18-I95 HydrophobicContact CH2-CD1 4.3Å; W18-I95 HydrophobicContact CZ2-CD1 4.29Å; W18-I95 HydrophobicContact CZ3-CD1 3.99Å; G91-I95 VanDerWaalsContact O-CG1 3.32Å; G91-I95 WeakPolarHBondContact O-CG1 3.39Å; G91-I95 PolarHBondContact O-N 2.86Å; L92-I95 WeakPolarHBondContact O-CB 3.36Å; L92-I95 PolarHBondContact O-N 2.99Å; V93-I95 VanDerWaalsContact C-N 3.32Å; V93-I95 PolarHBondContact O-N 3.35Å; I95-V97 PolarHBondContact O-N 3.42Å; I95-A98 PolarHBondContact O-N 3.35Å; I95-V99 HydrophobicContact CG2-CG2 4.08Å; I95-V99 WeakPolarHBondContact O-CB 3.48Å; I95-V99 WeakPolarHBondContact O-CG2 3.39Å; I95-V99 PolarHBondContact O-N 3.5Å; I95-F126 HydrophobicContact CB-CZ 4.49Å; I95-F126 HydrophobicContact CG1-CE1 4.21Å; I95-F126 HydrophobicContact CG1-CE2 4.46Å; I95-F126 HydrophobicContact CG1-CZ 3.54Å
96F94.1Very high88.4Confident134 Ų13454.4 Ų54.459%0.58829%0.29SS*.Hα-helixtrans-58.4-47.5-179.8-73.6-68000111.9L92 V93 V99 T100L92-F96 HydrophobicContact CD1-CD2 4.39Å; L92-F96 HydrophobicContact CD1-CE2 3.74Å; L92-F96 HydrophobicContact CD1-CZ 4.47Å; L92-F96 HydrophobicContact CD2-CE2 4.49Å; L92-F96 HydrophobicContact CG-CD2 4.29Å; L92-F96 HydrophobicContact CG-CE2 3.84Å; L92-F96 WeakPolarHBondContact O-CD2 3.46Å; L92-F96 PolarHBondContact O-N 3.32Å; V93-F96 PolarHBondContact O-N 2.87Å; F96-V99 PolarHBondContact O-N 3.44Å; F96-T100 WeakPolarHBondContact O-CG2 3.48Å; F96-T100 PolarHBondContact O-N 3.44Å; F96-T100 VanDerWaalsContact O-N 3.11Å
97V92.6Very high86.4Confident29 Ų2956 Ų5618%0.17630%0.299CS..Hα-helixtrans-62.8-47.1179.1174.30000111.1V93 A94 I95 V99 T100 G101 M118 F121 I125V93-V97 HydrophobicContact CG1-CG2 4.27Å; V93-V97 WeakPolarHBondContact O-CG2 3.36Å; V93-V97 PolarHBondContact O-N 3.32Å; A94-V97 PolarHBondContact O-N 3.34Å; I95-V97 PolarHBondContact O-N 3.42Å; V97-V99 PolarHBondContact O-N 2.92Å; V97-T100 PolarHBondContact O-N 2.96Å; V97-T100 PolarHBondContact O-OG1 3.41Å; V97-G101 PolarHBondContact O-N 2.84Å; V97-M118 HydrophobicContact CG1-CE 4.12Å; V97-M118 VanDerWaalsContact CG1-O 3.31Å; V97-M118 WeakPolarHBondContact CG1-O 3.09Å; V97-F121 HydrophobicContact CG1-CB 4.09Å; V97-I125 HydrophobicContact CG2-CD1 4.38Å
98A90.6Very high84.6Confident0 Ų061.1 Ų61.10%032%0.324CS..Hα-helixtrans-63.5-43.4179.800000111.9F11 A94 I95 T100 G101 M102 F126 L182F11-A98 HydrophobicContact CD2-CB 3.97Å; F11-A98 HydrophobicContact CE2-CB 4.18Å; A94-A98 WeakPolarHBondContact O-CB 3.36Å; A94-A98 PolarHBondContact O-N 3.42Å; I95-A98 PolarHBondContact O-N 3.35Å; A98-T100 PolarHBondContact O-N 2.86Å; A98-G101 CarbonylContact O-C 3.52Å; A98-G101 WeakPolarHBondContact O-CA 3.44Å; A98-G101 PolarHBondContact O-N 3.32Å; A98-M102 WeakPolarHBondContact O-CG 3.29Å; A98-M102 PolarHBondContact O-N 3.04Å; A98-M102 VanDerWaalsContact O-N 3.1Å; A98-F126 HydrophobicContact CB-CE2 4.26Å; A98-L182 HydrophobicContact CB-CD1 4.38Å
99V89.9Confident82.9Confident41 Ų4166.4 Ų66.425%0.24835%0.348CS..Hα-helixtrans-54.8-51.3175.7161.70000110.3F11 I95 F96 V97 G101 M102 M105F11-V99 HydrophobicContact CE2-CG2 3.72Å; F11-V99 HydrophobicContact CZ-CG2 3.62Å; I95-V99 HydrophobicContact CG2-CG2 4.08Å; I95-V99 WeakPolarHBondContact O-CB 3.48Å; I95-V99 WeakPolarHBondContact O-CG2 3.39Å; I95-V99 PolarHBondContact O-N 3.5Å; F96-V99 PolarHBondContact O-N 3.44Å; V97-V99 PolarHBondContact O-N 2.92Å; V99-G101 PolarHBondContact O-N 2.96Å; V99-G101 VanDerWaalsContact O-N 3.15Å; V99-M102 HydrophobicContact CB-CE 4.28Å; V99-M102 HydrophobicContact CG2-CE 3.79Å; V99-M102 PolarHBondContact O-N 2.87Å; V99-M102 VanDerWaalsContact O-N 3.13Å; V99-M105 HydrophobicContact CB-CE 3.97Å; V99-M105 HydrophobicContact CG1-CE 3.26Å; V99-M105 HydrophobicContact CG1-SD 4.26Å; V99-M105 HydrophobicContact CG2-CE 4.5Å; V99-M105 WeakPolarHBondContact O-CE 3.37Å
100T87.6Confident81.2Confident58 Ų5870.4 Ų70.436%0.35636%0.363SS..Hα-helixtrans-61.6-25.5177.362.90000113.9F96 V97 A98F96-T100 WeakPolarHBondContact O-CG2 3.48Å; F96-T100 PolarHBondContact O-N 3.44Å; F96-T100 VanDerWaalsContact O-N 3.11Å; V97-T100 PolarHBondContact O-N 2.96Å; V97-T100 PolarHBondContact O-OG1 3.41Å; A98-T100 PolarHBondContact O-N 2.86Å
101G82.5Confident80.2Confident1 Ų170.1 Ų70.11%0.0136%0.362CS..Hα-helixtrans-89.1-7.117800000115.7Q7 V97 A98 V99 K115Q7-G101 PolarHBondContact NE2-O 2.94Å; V97-G101 PolarHBondContact O-N 2.84Å; A98-G101 CarbonylContact O-C 3.52Å; A98-G101 WeakPolarHBondContact O-CA 3.44Å; A98-G101 PolarHBondContact O-N 3.32Å; V99-G101 PolarHBondContact O-N 2.96Å; V99-G101 VanDerWaalsContact O-N 3.15Å; G101-K115 WeakPolarHBondContact CA-O 3.38Å; G101-K115 WeakPolarHBondContact O-CG 3.47Å
102M82.7Confident79.2Confident19 Ų1974.7 Ų74.79%0.09438%0.384CS..SBendtrans-77.2136.7-177.5-75.9-163.6-7500112.8F11 A98 V99 C104 M105 K115F11-M102 HydrophobicContact CB-SD 3.88Å; F11-M102 HydrophobicContact CD1-CE 3.81Å; F11-M102 HydrophobicContact CD1-SD 3.9Å; F11-M102 HydrophobicContact CD2-CE 3.96Å; F11-M102 HydrophobicContact CD2-SD 4.07Å; F11-M102 HydrophobicContact CE1-CE 3.79Å; F11-M102 HydrophobicContact CE1-SD 4.49Å; F11-M102 HydrophobicContact CE2-CE 3.94Å; F11-M102 HydrophobicContact CG-CE 3.9Å; F11-M102 HydrophobicContact CG-SD 3.66Å; F11-M102 HydrophobicContact CZ-CE 3.86Å; A98-M102 WeakPolarHBondContact O-CG 3.29Å; A98-M102 PolarHBondContact O-N 3.04Å; A98-M102 VanDerWaalsContact O-N 3.1Å; V99-M102 HydrophobicContact CB-CE 4.28Å; V99-M102 HydrophobicContact CG2-CE 3.79Å; V99-M102 PolarHBondContact O-N 2.87Å; V99-M102 VanDerWaalsContact O-N 3.13Å; M102-C104 PolarHBondContact O-N 2.98Å; M102-M105 HydrophobicContact CB-CE 4.43Å; M102-M105 HydrophobicContact CE-CE 3.96Å; M102-M105 PolarHBondContact O-N 3.34Å; M102-K115 WeakPolarHBondContact O-CE 3.28Å; M102-K115 PolarHBondContact O-NZ 2.97Å
103K69.6Low78.3Confident84 Ų8475.4 Ų75.437%0.36539%0.391SS..THydrogen-bonded Turntrans-52.7-31.8179-71.7178.8-178174.50114A2 M105 K115A2-K103 PolarHBondContact O-NZ 3.24Å; K103-M105 VanDerWaalsContact C-N 3.3Å; K103-M105 PolarHBondContact O-N 3.26Å; K103-K115 PolarHBondContact O-NZ 3.19Å; K103-K115 VanDerWaalsContact O-NZ 3.1Å
104C66.3Low77.6Confident124 Ų12477 Ų7784%0.83839%0.391SS*.THydrogen-bonded Turntrans-69-19.6179.8-168.80000114.2M102M102-C104 PolarHBondContact O-N 2.98Å
105M69.2Low76.9Confident58 Ų5877.5 Ų77.529%0.28639%0.393SS..  trans-84132.5178.4-12567.766.900111.6V99 M102 K103 C107 K115V99-M105 HydrophobicContact CB-CE 3.97Å; V99-M105 HydrophobicContact CG1-CE 3.26Å; V99-M105 HydrophobicContact CG1-SD 4.26Å; V99-M105 HydrophobicContact CG2-CE 4.5Å; V99-M105 WeakPolarHBondContact O-CE 3.37Å; M102-M105 HydrophobicContact CB-CE 4.43Å; M102-M105 HydrophobicContact CE-CE 3.96Å; M102-M105 PolarHBondContact O-N 3.34Å; K103-M105 VanDerWaalsContact C-N 3.3Å; K103-M105 PolarHBondContact O-N 3.26Å; M105-C107 PolarHBondContact O-N 3.48Å; M105-K115 PolarHBondContact O-NZ 3.49Å
106K61.6Low76.2Confident181 Ų18178.1 Ų78.179%0.78740%0.396SS*.  trans-72.3-8.4173.6-82.8-175.5173.9177.40114.5M108K106-M108 PolarHBondContact O-N 3.3Å
107C53.9Low75.8Confident77 Ų7778.7 Ų78.752%0.5239%0.394SS..THydrogen-bonded Turntrans-64.9130.6173.6-67.30000109.6M105M105-C107 PolarHBondContact O-N 3.48Å
108M58.9Low75.6Confident107 Ų10780.9 Ų80.953%0.52740%0.404SS..THydrogen-bonded Turntrans69.454.6175.9-55.7-72.5-66.300115.6K106 E110 K114K106-M108 PolarHBondContact O-N 3.3Å; M108-E110 VanDerWaalsContact C-N 3.32Å; M108-E110 PolarHBondContact O-N 3.24Å; M108-K114 HydrophobicContact CE-CB 4.45Å; M108-K114 HydrophobicContact CE-CD 4.18Å
109E62.6Low75.5Confident144 Ų14481 Ų8167%0.67340%0.404SS*.  trans-68.8-29.4178.2-136163.5-16700113D111E109-D111 PolarHBondContact O-N 2.85Å
110E63.8Low75.5Confident188 Ų18880.5 Ų80.588%0.87940%0.401SS*.SBendtrans-71.1-25.3-174.4-64.7-177.816400114.3M108M108-E110 VanDerWaalsContact C-N 3.32Å; M108-E110 PolarHBondContact O-N 3.24Å
111D75.3Confident75.8Confident60 Ų6083.9 Ų83.932%0.32141%0.411SS..  trans-135.484.2-173.4-83.8-46.5000113.8E109 V113 K114 K115E109-D111 PolarHBondContact O-N 2.85Å; D111-V113 PolarHBondContact O-N 3.48Å; D111-V113 VanDerWaalsContact O-N 3.15Å; D111-K114 HydrophobicContact CB-CB 3.93Å; D111-K114 HydrophobicContact CB-CD 3.76Å; D111-K114 HydrophobicContact CB-CG 3.87Å; D111-K114 PolarHBondContact O-N 3.14Å; D111-K114 VanDerWaalsContact O-N 3.11Å; D111-K114 WeakPolarHBondContact OD2-CD 3.48Å; D111-K114 WeakPolarHBondContact OD2-CE 3.45Å; D111-K114 IonicContact OD2-NZ 2.66Å; D111-K114 PolarHBondContact OD2-NZ 2.68Å; D111-K115 PolarHBondContact O-N 3.16Å; D111-K115 VanDerWaalsContact O-N 3.12Å
112Q75.9Confident76.3Confident98 Ų9883.8 Ų83.846%0.45841%0.411SS..Hα-helixtrans-57.3-31.1177-65.6-61.5-50.300113.4M116Q112-M116 VanDerWaalsContact O-CG 3.26Å; Q112-M116 WeakPolarHBondContact O-CG 3.13Å; Q112-M116 PolarHBondContact O-N 2.95Å
113V79.5Confident76.9Confident83 Ų8382.9 Ų82.950%0.50341%0.407SS..Hα-helixtrans-69.6-41.9178.1179.90000111.4D111 K115 M116 R117D111-V113 PolarHBondContact O-N 3.48Å; D111-V113 VanDerWaalsContact O-N 3.15Å; V113-K115 VanDerWaalsContact C-N 3.35Å; V113-M116 PolarHBondContact O-N 3.41Å; V113-R117 WeakPolarHBondContact O-CG 3.33Å; V113-R117 PolarHBondContact O-N 3.29Å; V113-R117 VanDerWaalsContact O-N 3.1Å
114K81.1Confident78.2Confident110 Ų11081.9 Ų81.948%0.47841%0.407SS..Hα-helixtrans-65.6-42176.6-68.5-179.5-174.5158.60110.4M108 D111 M116 R117 M118M108-K114 HydrophobicContact CE-CB 4.45Å; M108-K114 HydrophobicContact CE-CD 4.18Å; D111-K114 HydrophobicContact CB-CB 3.93Å; D111-K114 HydrophobicContact CB-CD 3.76Å; D111-K114 HydrophobicContact CB-CG 3.87Å; D111-K114 PolarHBondContact O-N 3.14Å; D111-K114 VanDerWaalsContact O-N 3.11Å; D111-K114 WeakPolarHBondContact OD2-CD 3.48Å; D111-K114 WeakPolarHBondContact OD2-CE 3.45Å; D111-K114 IonicContact OD2-NZ 2.66Å; D111-K114 PolarHBondContact OD2-NZ 2.68Å; K114-M116 PolarHBondContact O-N 3.41Å; K114-R117 WeakPolarHBondContact O-CB 3.33Å; K114-R117 PolarHBondContact O-N 2.6Å; K114-M118 WeakPolarHBondContact O-CG 2.98Å; K114-M118 PolarHBondContact O-N 2.86Å
115K81.4Confident79.7Confident10 Ų1077.9 Ų77.94%0.04338%0.377CS..Hα-helixtrans-57.8-47.6176.3-171.4170.3-178.1175.80112.7G101 M102 K103 M105 D111 V113 R117 M118 A119G101-K115 WeakPolarHBondContact CA-O 3.38Å; G101-K115 WeakPolarHBondContact O-CG 3.47Å; M102-K115 WeakPolarHBondContact O-CE 3.28Å; M102-K115 PolarHBondContact O-NZ 2.97Å; K103-K115 PolarHBondContact O-NZ 3.19Å; K103-K115 VanDerWaalsContact O-NZ 3.1Å; M105-K115 PolarHBondContact O-NZ 3.49Å; D111-K115 PolarHBondContact O-N 3.16Å; D111-K115 VanDerWaalsContact O-N 3.12Å; V113-K115 VanDerWaalsContact C-N 3.35Å; K115-R117 PolarHBondContact O-N 3.4Å; K115-M118 PolarHBondContact O-N 2.98Å; K115-A119 PolarHBondContact O-N 2.68Å
116M80.6Confident81Confident35 Ų3575.2 Ų75.217%0.17236%0.364CS..Hα-helixtrans-62.3-40.8175-68.1-110.7-144.700112.6Q112 V113 K114 M118 A119 V120Q112-M116 VanDerWaalsContact O-CG 3.26Å; Q112-M116 WeakPolarHBondContact O-CG 3.13Å; Q112-M116 PolarHBondContact O-N 2.95Å; V113-M116 PolarHBondContact O-N 3.41Å; K114-M116 PolarHBondContact O-N 3.41Å; M116-M118 VanDerWaalsContact C-N 3.33Å; M116-M118 PolarHBondContact O-N 2.91Å; M116-A119 WeakPolarHBondContact O-CB 3.47Å; M116-A119 PolarHBondContact O-N 2.89Å; M116-V120 WeakPolarHBondContact O-CG2 3.47Å; M116-V120 PolarHBondContact O-N 2.78Å; M116-V120 VanDerWaalsContact O-N 3.08Å
117R86.1Confident82.8Confident145 Ų14568.6 Ų68.655%0.54734%0.337SS..Hα-helixtrans-61.3-41.7176.5-74177.6-177-1783.1111.8V113 K114 K115 A119 V120 F121V113-R117 WeakPolarHBondContact O-CG 3.33Å; V113-R117 PolarHBondContact O-N 3.29Å; V113-R117 VanDerWaalsContact O-N 3.1Å; K114-R117 WeakPolarHBondContact O-CB 3.33Å; K114-R117 PolarHBondContact O-N 2.6Å; K115-R117 PolarHBondContact O-N 3.4Å; R117-A119 VanDerWaalsContact C-N 3.32Å; R117-A119 PolarHBondContact O-N 3.07Å; R117-V120 PolarHBondContact O-N 2.94Å; R117-F121 HydrophobicContact CB-CD2 4.48Å; R117-F121 HydrophobicContact CB-CE2 4.4Å; R117-F121 WeakPolarHBondContact O-CD2 3.32Å; R117-F121 PolarHBondContact O-N 3.49Å
118M88.1Confident84.8Confident75 Ų7568.9 Ų68.937%0.36933%0.332SS..Hα-helixtrans-60.1-41.9175.7-68.2-61.6-73.900111.7V97 K114 K115 M116 V120 F121 G122V97-M118 HydrophobicContact CG1-CE 4.12Å; V97-M118 VanDerWaalsContact CG1-O 3.31Å; V97-M118 WeakPolarHBondContact CG1-O 3.09Å; K114-M118 WeakPolarHBondContact O-CG 2.98Å; K114-M118 PolarHBondContact O-N 2.86Å; K115-M118 PolarHBondContact O-N 2.98Å; M116-M118 VanDerWaalsContact C-N 3.33Å; M116-M118 PolarHBondContact O-N 2.91Å; M118-V120 VanDerWaalsContact C-N 3.33Å; M118-V120 PolarHBondContact O-N 3.2Å; M118-F121 PolarHBondContact O-N 2.94Å; M118-G122 PolarHBondContact O-N 3.37Å
119A88.9Confident86.7Confident2 Ų263.9 Ų63.92%0.01731%0.308CS..Hα-helixtrans-62.2-40175.300000112.8K115 M116 R117 G122 G123K115-A119 PolarHBondContact O-N 2.68Å; M116-A119 WeakPolarHBondContact O-CB 3.47Å; M116-A119 PolarHBondContact O-N 2.89Å; R117-A119 VanDerWaalsContact C-N 3.32Å; R117-A119 PolarHBondContact O-N 3.07Å; A119-G122 PolarHBondContact O-N 3.21Å; A119-G123 PolarHBondContact O-N 3.36Å
120V90.7Very high88.4Confident31 Ų3157 Ų5719%0.18828%0.276CS..Hα-helixtrans-65.7-44.3175.8173.80000110.9M116 R117 M118 G122 G123 V124 C186M116-V120 WeakPolarHBondContact O-CG2 3.47Å; M116-V120 PolarHBondContact O-N 2.78Å; M116-V120 VanDerWaalsContact O-N 3.08Å; R117-V120 PolarHBondContact O-N 2.94Å; M118-V120 VanDerWaalsContact C-N 3.33Å; M118-V120 PolarHBondContact O-N 3.2Å; V120-G122 VanDerWaalsContact C-N 3.33Å; V120-G122 PolarHBondContact O-N 3.44Å; V120-G123 WeakPolarHBondContact O-CA 3.15Å; V120-G123 PolarHBondContact O-N 3.23Å; V120-G123 VanDerWaalsContact O-N 3.1Å; V120-V124 WeakPolarHBondContact O-CG2 3.41Å; V120-V124 PolarHBondContact O-N 3.49Å; V120-C186 VanDerWaalsContact CG2-SG 3.53Å
121F93Very high90Very high129 Ų12952.1 Ų52.157%0.56625%0.254SS*.Hα-helixtrans-58.4-44.7174.4-80.6-65.3000111.7V97 R117 M118 G123 V124 I125V97-F121 HydrophobicContact CG1-CB 4.09Å; R117-F121 HydrophobicContact CB-CD2 4.48Å; R117-F121 HydrophobicContact CB-CE2 4.4Å; R117-F121 WeakPolarHBondContact O-CD2 3.32Å; R117-F121 PolarHBondContact O-N 3.49Å; M118-F121 PolarHBondContact O-N 2.94Å; F121-G123 VanDerWaalsContact C-N 3.3Å; F121-G123 PolarHBondContact O-N 3.4Å; F121-V124 PolarHBondContact O-N 3.13Å; F121-I125 VanDerWaalsContact O-CG1 3.29Å; F121-I125 WeakPolarHBondContact O-CG1 3.36Å; F121-I125 PolarHBondContact O-N 3.14Å
122G93.9Very high91Very high0 Ų050.2 Ų50.20%025%0.247CC..Hα-helixtrans-58.2-43.2173.400000112M118 A119 V120 V124 I125 F126M118-G122 PolarHBondContact O-N 3.37Å; A119-G122 PolarHBondContact O-N 3.21Å; V120-G122 VanDerWaalsContact C-N 3.33Å; V120-G122 PolarHBondContact O-N 3.44Å; G122-V124 PolarHBondContact O-N 2.98Å; G122-I125 PolarHBondContact O-N 2.93Å; G122-F126 VanDerWaalsContact O-CD2 3.32Å; G122-F126 WeakPolarHBondContact O-CD2 3.26Å; G122-F126 PolarHBondContact O-N 2.85Å
123G94.9Very high92Very high0 Ų045.6 Ų45.60%023%0.225CC..Hα-helixtrans-59.4-44.5174.800000113.7A119 V120 F121 I125 F126 I127 G179A119-G123 PolarHBondContact O-N 3.36Å; V120-G123 WeakPolarHBondContact O-CA 3.15Å; V120-G123 PolarHBondContact O-N 3.23Å; V120-G123 VanDerWaalsContact O-N 3.1Å; F121-G123 VanDerWaalsContact C-N 3.3Å; F121-G123 PolarHBondContact O-N 3.4Å; G123-I125 PolarHBondContact O-N 3.49Å; G123-F126 WeakPolarHBondContact O-CB 3.31Å; G123-F126 PolarHBondContact O-N 3.3Å; G123-I127 WeakPolarHBondContact O-CG1 3.38Å; G123-I127 PolarHBondContact O-N 3.49Å; G123-G179 WeakPolarHBondContact O-CA 3.06Å
124V96.5Very high92.9Very high63 Ų6344.7 Ų44.738%0.38222%0.217SC..Hα-helixtrans-62.3-43.6176.7173.90000111.1V120 F121 G122 F126 I127 I128V120-V124 WeakPolarHBondContact O-CG2 3.41Å; V120-V124 PolarHBondContact O-N 3.49Å; F121-V124 PolarHBondContact O-N 3.13Å; G122-V124 PolarHBondContact O-N 2.98Å; V124-F126 VanDerWaalsContact C-N 3.32Å; V124-F126 PolarHBondContact O-N 2.91Å; V124-I127 PolarHBondContact O-N 3.48Å; V124-I128 HydrophobicContact CG1-CD1 4Å; V124-I128 WeakPolarHBondContact O-CG1 3.27Å; V124-I128 PolarHBondContact O-N 3.31Å
125I97.3Very high93.6Very high40 Ų4043.4 Ų43.421%0.20522%0.218CC..Hα-helixtrans-63.9-39.6177.7-58.9164.1000110.4L90 V93 A94 V97 F121 G122 G123 I127 I128 A129L90-I125 HydrophobicContact CB-CG2 4.22Å; L90-I125 HydrophobicContact CD2-CG2 4.43Å; L90-I125 VanDerWaalsContact O-CG2 3.25Å; L90-I125 WeakPolarHBondContact O-CG2 3.45Å; V93-I125 HydrophobicContact CG1-CD1 4.42Å; A94-I125 HydrophobicContact CB-CB 3.81Å; A94-I125 HydrophobicContact CB-CG2 3.71Å; V97-I125 HydrophobicContact CG2-CD1 4.38Å; F121-I125 VanDerWaalsContact O-CG1 3.29Å; F121-I125 WeakPolarHBondContact O-CG1 3.36Å; F121-I125 PolarHBondContact O-N 3.14Å; G122-I125 PolarHBondContact O-N 2.93Å; G123-I125 PolarHBondContact O-N 3.49Å; I125-I127 PolarHBondContact O-N 3.36Å; I125-I128 PolarHBondContact O-N 2.9Å; I125-A129 WeakPolarHBondContact O-CB 3.36Å; I125-A129 PolarHBondContact O-N 3.44Å
126F97.6Very high94.3Very high2 Ų242.9 Ų42.91%0.00922%0.216CC..Hα-helixtrans-61.3-39.7173.2-89.3-61.5000113.2A14 W18 A94 I95 A98 G122 G123 V124 A129 G130 L182A14-F126 HydrophobicContact CB-CB 4.46Å; A14-F126 HydrophobicContact CB-CD1 3.83Å; A14-F126 HydrophobicContact CB-CD2 3.77Å; A14-F126 HydrophobicContact CB-CE1 3.85Å; A14-F126 HydrophobicContact CB-CE2 3.79Å; A14-F126 HydrophobicContact CB-CG 3.78Å; A14-F126 HydrophobicContact CB-CZ 3.8Å; W18-F126 HydrophobicContact CB-CE1 4.26Å; A94-F126 HydrophobicContact CB-CB 4.42Å; A94-F126 HydrophobicContact CB-CD1 3.93Å; A94-F126 HydrophobicContact CB-CD2 3.53Å; A94-F126 HydrophobicContact CB-CE1 4.06Å; A94-F126 HydrophobicContact CB-CE2 3.68Å; A94-F126 HydrophobicContact CB-CG 3.67Å; A94-F126 HydrophobicContact CB-CZ 3.97Å; I95-F126 HydrophobicContact CB-CZ 4.49Å; I95-F126 HydrophobicContact CG1-CE1 4.21Å; I95-F126 HydrophobicContact CG1-CE2 4.46Å; I95-F126 HydrophobicContact CG1-CZ 3.54Å; A98-F126 HydrophobicContact CB-CE2 4.26Å; G122-F126 VanDerWaalsContact O-CD2 3.32Å; G122-F126 WeakPolarHBondContact O-CD2 3.26Å; G122-F126 PolarHBondContact O-N 2.85Å; G123-F126 WeakPolarHBondContact O-CB 3.31Å; G123-F126 PolarHBondContact O-N 3.3Å; V124-F126 VanDerWaalsContact C-N 3.32Å; V124-F126 PolarHBondContact O-N 2.91Å; F126-A129 PolarHBondContact O-N 3.28Å; F126-G130 PolarHBondContact O-N 3.48Å; F126-L182 HydrophobicContact CD2-CD1 4.1Å; F126-L182 HydrophobicContact CE2-CD1 4.43Å
127I97.9Very high95Very high42 Ų4241.2 Ų41.222%0.21521%0.208CC..Hα-helixtrans-63.3-45.4175.1-66.9167.1000110.1G123 V124 I125 A129 G130 M131G123-I127 WeakPolarHBondContact O-CG1 3.38Å; G123-I127 PolarHBondContact O-N 3.49Å; V124-I127 PolarHBondContact O-N 3.48Å; I125-I127 PolarHBondContact O-N 3.36Å; I127-A129 PolarHBondContact O-N 3.49Å; I127-G130 PolarHBondContact O-N 2.95Å; I127-M131 HydrophobicContact CG2-CE 4.16Å; I127-M131 HydrophobicContact CG2-CG 4.38Å; I127-M131 HydrophobicContact CG2-SD 4.33Å; I127-M131 WeakPolarHBondContact O-CB 3.31Å; I127-M131 VanDerWaalsContact O-CG 3.31Å; I127-M131 WeakPolarHBondContact O-CG 3.29Å; I127-M131 PolarHBondContact O-N 2.94Å
128I97.9Very high95.4Very high82 Ų8236.4 Ų36.442%0.42120%0.199SC..Hα-helixtrans-62.2-44.5177.9-64.1166.8000110.8L90 V124 I125 M131 A132L90-I128 HydrophobicContact CD1-CG2 4.12Å; V124-I128 HydrophobicContact CG1-CD1 4Å; V124-I128 WeakPolarHBondContact O-CG1 3.27Å; V124-I128 PolarHBondContact O-N 3.31Å; I125-I128 PolarHBondContact O-N 2.9Å; I128-M131 HydrophobicContact CG1-CE 4.25Å; I128-M131 PolarHBondContact O-N 3Å; I128-A132 WeakPolarHBondContact O-CB 3.26Å; I128-A132 PolarHBondContact O-N 2.68Å
129A97.8Very high95.7Very high2 Ų239.4 Ų39.42%0.01721%0.206CC..Hα-helixtrans-60.8-46.7176.200000111.9A87 L90 I125 F126 I127 A132 A133A87-A129 WeakPolarHBondContact CB-O 3.31Å; L90-A129 HydrophobicContact CB-CB 3.92Å; I125-A129 WeakPolarHBondContact O-CB 3.36Å; I125-A129 PolarHBondContact O-N 3.44Å; F126-A129 PolarHBondContact O-N 3.28Å; I127-A129 PolarHBondContact O-N 3.49Å; A129-A132 PolarHBondContact O-N 2.8Å; A129-A133 PolarHBondContact O-N 3.09Å
130G97.6Very high95.9Very high0 Ų039.7 Ų39.70%021%0.207CC..Hα-helixtrans-61.9-43.1176.500000112.6F126 I127 A133 L134 A172F126-G130 PolarHBondContact O-N 3.48Å; I127-G130 PolarHBondContact O-N 2.95Å; G130-A133 PolarHBondContact O-N 3.08Å; G130-L134 WeakPolarHBondContact O-CB 3.32Å; G130-L134 PolarHBondContact O-N 2.88Å; G130-A172 WeakPolarHBondContact O-CB 3.26Å
131M97.9Very high96Very high86 Ų8638.3 Ų38.342%0.42420%0.198SC..Hα-helixtrans-62.1-43.3174.8-74.3-170-54.100112.2I127 I128 A133 L134 V135 M176I127-M131 HydrophobicContact CG2-CE 4.16Å; I127-M131 HydrophobicContact CG2-CG 4.38Å; I127-M131 HydrophobicContact CG2-SD 4.33Å; I127-M131 WeakPolarHBondContact O-CB 3.31Å; I127-M131 VanDerWaalsContact O-CG 3.31Å; I127-M131 WeakPolarHBondContact O-CG 3.29Å; I127-M131 PolarHBondContact O-N 2.94Å; I128-M131 HydrophobicContact CG1-CE 4.25Å; I128-M131 PolarHBondContact O-N 3Å; M131-A133 PolarHBondContact O-N 2.65Å; M131-L134 PolarHBondContact O-N 2.96Å; M131-V135 VanDerWaalsContact O-CG2 3.3Å; M131-V135 WeakPolarHBondContact O-CG2 3.23Å; M131-V135 PolarHBondContact O-N 2.62Å; M131-M176 HydrophobicContact CG-CE 3.76Å; M131-M176 HydrophobicContact CG-SD 3.97Å
132A97.1Very high96Very high20 Ų2035.5 Ų35.517%0.16519%0.19CC..Hα-helixtrans-60.8-44.1177.200000111.7A87 I128 A129 V135 A136A87-A132 HydrophobicContact CB-CB 4.17Å; I128-A132 WeakPolarHBondContact O-CB 3.26Å; I128-A132 PolarHBondContact O-N 2.68Å; A129-A132 PolarHBondContact O-N 2.8Å; A132-V135 PolarHBondContact O-N 2.85Å; A132-A136 WeakPolarHBondContact O-CB 3.45Å; A132-A136 PolarHBondContact O-N 3.4Å
133A97.3Very high95.9Very high0 Ų040.1 Ų40.10%021%0.207CC..Hα-helixtrans-64.7-39.717500000112.4I21 M84 A87 A129 G130 M131 A136 T137 A172I21-A133 HydrophobicContact CD1-CB 3.81Å; I21-A133 HydrophobicContact CG1-CB 4Å; I21-A133 HydrophobicContact CG2-CB 4.28Å; M84-A133 HydrophobicContact SD-CB 4.15Å; A87-A133 HydrophobicContact CB-CB 4.06Å; A129-A133 PolarHBondContact O-N 3.09Å; G130-A133 PolarHBondContact O-N 3.08Å; M131-A133 PolarHBondContact O-N 2.65Å; A133-A136 PolarHBondContact O-N 3.12Å; A133-T137 WeakPolarHBondContact O-CB 3.26Å; A133-T137 WeakPolarHBondContact O-CG2 3.42Å; A133-T137 PolarHBondContact O-N 2.76Å; A133-T137 PolarHBondContact O-OG1 3.46Å; A133-A172 HydrophobicContact CB-CB 4.25Å
134L97.4Very high95.7Very high65 Ų6540.7 Ų40.734%0.3421%0.21SC..Hα-helixtrans-63.6-45.8176.2-169.966.7000111.4G130 M131 A136 T137 A138 A172 M176G130-L134 WeakPolarHBondContact O-CB 3.32Å; G130-L134 PolarHBondContact O-N 2.88Å; M131-L134 PolarHBondContact O-N 2.96Å; L134-A136 VanDerWaalsContact C-N 3.35Å; L134-A136 PolarHBondContact O-N 3.47Å; L134-T137 PolarHBondContact O-N 3.41Å; L134-T137 PolarHBondContact O-OG1 3.48Å; L134-T137 VanDerWaalsContact O-OG1 3.12Å; L134-A138 WeakPolarHBondContact O-CB 3.31Å; L134-A138 PolarHBondContact O-N 2.91Å; L134-A172 HydrophobicContact CB-CB 3.95Å; L134-A172 HydrophobicContact CD1-CB 4.21Å; L134-M176 HydrophobicContact CD2-SD 4.3Å
135V96.6Very high95.4Very high82 Ų8238.9 Ų38.950%0.49720%0.202SC..Hα-helixtrans-61.5-44.2176.8170.30000110.7L83 M131 A132 W139L83-V135 HydrophobicContact CD1-CG1 4.47Å; M131-V135 VanDerWaalsContact O-CG2 3.3Å; M131-V135 WeakPolarHBondContact O-CG2 3.23Å; M131-V135 PolarHBondContact O-N 2.62Å; A132-V135 PolarHBondContact O-N 2.85Å; V135-W139 WeakPolarHBondContact O-CB 3.41Å; V135-W139 PolarHBondContact O-N 2.81Å
136A95.3Very high95.1Very high0 Ų045.1 Ų45.10%022%0.223CC..Hα-helixtrans-61.2-48.9179.200000112.3T80 L83 M84 A132 A133 L134 Y140T80-A136 HydrophobicContact CG2-CB 4.15Å; L83-A136 HydrophobicContact CB-CB 3.69Å; L83-A136 HydrophobicContact CD1-CB 4.1Å; M84-A136 HydrophobicContact CG-CB 4.01Å; M84-A136 HydrophobicContact SD-CB 3.78Å; A132-A136 WeakPolarHBondContact O-CB 3.45Å; A132-A136 PolarHBondContact O-N 3.4Å; A133-A136 PolarHBondContact O-N 3.12Å; L134-A136 VanDerWaalsContact C-N 3.35Å; L134-A136 PolarHBondContact O-N 3.47Å; A136-Y140 WeakPolarHBondContact O-CB 3.09Å; A136-Y140 PolarHBondContact O-N 2.99Å; A136-Y140 VanDerWaalsContact O-N 3.08Å
137T95.2Very high94.6Very high0 Ų047.1 Ų47.10%024%0.24CC..Hα-helixtrans-72.2-40.9-178.651.50000112.3W30 M84 A133 L134 G141 L165 W169W30-T137 HydrophobicContact CH2-CG2 3.68Å; W30-T137 HydrophobicContact CZ3-CG2 4.04Å; M84-T137 HydrophobicContact CE-CG2 4.35Å; M84-T137 HydrophobicContact SD-CG2 4.04Å; A133-T137 WeakPolarHBondContact O-CB 3.26Å; A133-T137 WeakPolarHBondContact O-CG2 3.42Å; A133-T137 PolarHBondContact O-N 2.76Å; A133-T137 PolarHBondContact O-OG1 3.46Å; L134-T137 PolarHBondContact O-N 3.41Å; L134-T137 PolarHBondContact O-OG1 3.48Å; L134-T137 VanDerWaalsContact O-OG1 3.12Å; T137-G141 PolarHBondContact O-N 3.35Å; T137-L165 HydrophobicContact CG2-CD2 4.43Å; T137-W169 PolarHBondContact OG1-NE1 3.03Å
138A95.3Very high94.1Very high44 Ų4448.1 Ų48.136%0.36424%0.243SC..Hα-helixtrans-67.8-40.817700000112.2L134 G141 N142L134-A138 WeakPolarHBondContact O-CB 3.31Å; L134-A138 PolarHBondContact O-N 2.91Å; A138-G141 PolarHBondContact O-N 2.86Å; A138-N142 VanDerWaalsContact O-CB 3.28Å; A138-N142 WeakPolarHBondContact O-CB 3.09Å; A138-N142 PolarHBondContact O-N 3.48Å
139W94.6Very high93.6Very high138 Ų13853.1 Ų53.152%0.52326%0.258SS..Hα-helixtrans-63.1-51.9174.8-175.9-2.8000110.3V135 G141 N142 R143V135-W139 WeakPolarHBondContact O-CB 3.41Å; V135-W139 PolarHBondContact O-N 2.81Å; W139-G141 VanDerWaalsContact C-N 3.3Å; W139-G141 PolarHBondContact O-N 3.47Å; W139-N142 PolarHBondContact O-N 2.79Å; W139-R143 PolarHBondContact O-N 3.18Å
140Y92.5Very high93.2Very high8 Ų856 Ų563%0.03127%0.273CS..Hα-helixtrans-57.9-44.9178.6-169.2-89.1000111.5W30 K31 L77 T80 A136 R143 V144 L165W30-Y140 HydrophobicContact CB-CE1 3.93Å; W30-Y140 AromaticContact CE3-CD1 3.65Å; W30-Y140 HydrophobicContact CE3-CD1 3.65Å; W30-Y140 HydrophobicContact CE3-CE1 4.02Å; W30-Y140 AromaticContact CE3-CG 3.9Å; W30-Y140 HydrophobicContact CE3-CG 3.9Å; W30-Y140 HydrophobicContact CZ3-CD1 4.3Å; W30-Y140 HydrophobicContact CZ3-CG 4.18Å; K31-Y140 HydrophobicContact CB-CE1 4.46Å; L77-Y140 HydrophobicContact CG-CE2 4.41Å; T80-Y140 HydrophobicContact CG2-CD2 4.42Å; A136-Y140 WeakPolarHBondContact O-CB 3.09Å; A136-Y140 PolarHBondContact O-N 2.99Å; A136-Y140 VanDerWaalsContact O-N 3.08Å; Y140-R143 WeakPolarHBondContact O-CB 3.28Å; Y140-R143 PolarHBondContact O-N 2.72Å; Y140-V144 HydrophobicContact CD1-CG2 4.03Å; Y140-V144 HydrophobicContact CE1-CG2 3.78Å; Y140-V144 WeakPolarHBondContact O-CG2 3.34Å; Y140-V144 PolarHBondContact O-N 3.47Å; Y140-L165 HydrophobicContact CD1-CD1 4.31Å; Y140-L165 HydrophobicContact CD1-CD2 4.12Å
141G92.8Very high92.6Very high1 Ų161.3 Ų61.31%0.0131%0.308CS..Hα-helixtrans-60.1-49.1176.200000113.4T137 A138 W139 R143 V144 A145 F161T137-G141 PolarHBondContact O-N 3.35Å; A138-G141 PolarHBondContact O-N 2.86Å; W139-G141 VanDerWaalsContact C-N 3.3Å; W139-G141 PolarHBondContact O-N 3.47Å; G141-R143 PolarHBondContact O-N 3.49Å; G141-V144 PolarHBondContact O-N 2.89Å; G141-V144 VanDerWaalsContact O-N 3.08Å; G141-A145 PolarHBondContact O-N 2.93Å; G141-F161 VanDerWaalsContact O-CE1 3.32Å; G141-F161 WeakPolarHBondContact O-CE1 3.34Å
142N93.4Very high92Very high71 Ų7165.9 Ų65.938%0.3833%0.325SS..Hα-helixtrans-57.8-33.4176.1174.550000111.8A138 W139 R146A138-N142 VanDerWaalsContact O-CB 3.28Å; A138-N142 WeakPolarHBondContact O-CB 3.09Å; A138-N142 PolarHBondContact O-N 3.48Å; W139-N142 PolarHBondContact O-N 2.79Å; N142-R146 VanDerWaalsContact ND2-CZ 3.31Å; N142-R146 PolarHBondContact ND2-NE 3.32Å; N142-R146 PolarHBondContact ND2-NH2 3.24Å; N142-R146 WeakPolarHBondContact O-CB 3.49Å; N142-R146 VanDerWaalsContact O-CG 3.27Å; N142-R146 WeakPolarHBondContact O-CG 2.74Å; N142-R146 PolarHBondContact O-N 2.82Å; N142-R146 PolarHBondContact OD1-NE 2.82Å
143R91.1Very high91.2Very high96 Ų9666.4 Ų66.436%0.36233%0.327SS..Hα-helixtrans-68.8-44.2175.6-161.5-160.1167.7-148.1-13.4112.5E74 S76 W139 Y140 G141 A145 R146 A147E74-R143 IonicContact OE1-CZ 2.8Å; E74-R143 IonicContact OE1-NE 2.67Å; E74-R143 PolarHBondContact OE1-NE 3.49Å; E74-R143 IonicContact OE1-NH1 3.4Å; E74-R143 PolarHBondContact OE1-NH1 3.32Å; E74-R143 IonicContact OE1-NH2 2.85Å; E74-R143 PolarHBondContact OE1-NH2 2.99Å; E74-R143 IonicContact OE2-CZ 2.62Å; E74-R143 IonicContact OE2-NH1 2.74Å; E74-R143 PolarHBondContact OE2-NH1 3.5Å; E74-R143 IonicContact OE2-NH2 2.68Å; E74-R143 PolarHBondContact OE2-NH2 3.16Å; S76-R143 PolarHBondContact OG-NH1 2.95Å; W139-R143 PolarHBondContact O-N 3.18Å; Y140-R143 WeakPolarHBondContact O-CB 3.28Å; Y140-R143 PolarHBondContact O-N 2.72Å; G141-R143 PolarHBondContact O-N 3.49Å; R143-A145 VanDerWaalsContact C-N 3.3Å; R143-A145 PolarHBondContact O-N 3.45Å; R143-R146 PolarHBondContact O-N 3Å; R143-A147 WeakPolarHBondContact O-CB 3.21Å; R143-A147 PolarHBondContact O-N 3Å
144V89.8Confident90.2Very high12 Ų1269.9 Ų69.97%0.07335%0.349CS..Hα-helixtrans-59.4-44.4174.4175.80000110.1K31 Y140 G141 R146 A147 F148 F159 F161K31-V144 HydrophobicContact CB-CG2 4.13Å; K31-V144 HydrophobicContact CD-CG2 4.45Å; Y140-V144 HydrophobicContact CD1-CG2 4.03Å; Y140-V144 HydrophobicContact CE1-CG2 3.78Å; Y140-V144 WeakPolarHBondContact O-CG2 3.34Å; Y140-V144 PolarHBondContact O-N 3.47Å; G141-V144 PolarHBondContact O-N 2.89Å; G141-V144 VanDerWaalsContact O-N 3.08Å; V144-R146 PolarHBondContact O-N 2.91Å; V144-A147 PolarHBondContact O-N 2.88Å; V144-F148 PolarHBondContact O-N 3.43Å; V144-F159 HydrophobicContact CG1-CB 4.34Å; V144-F159 WeakPolarHBondContact CG1-O 3.32Å; V144-F161 HydrophobicContact CB-CE1 4.41Å; V144-F161 HydrophobicContact CG1-CD1 4.44Å
145A91.4Very high89Confident25 Ų2571.7 Ų71.721%0.20736%0.363CS..Hα-helixtrans-59.5-47.9175.700000112.4G141 R143 A147 F148 Y149 F161G141-A145 PolarHBondContact O-N 2.93Å; R143-A145 VanDerWaalsContact C-N 3.3Å; R143-A145 PolarHBondContact O-N 3.45Å; A145-A147 VanDerWaalsContact C-N 3.29Å; A145-A147 PolarHBondContact O-N 2.91Å; A145-F148 WeakPolarHBondContact O-CB 3.47Å; A145-F148 PolarHBondContact O-N 3.31Å; A145-F148 VanDerWaalsContact O-N 3.16Å; A145-Y149 WeakPolarHBondContact O-CD2 3.37Å; A145-Y149 PolarHBondContact O-N 3.17Å; A145-Y149 VanDerWaalsContact O-N 3.14Å; A145-F161 HydrophobicContact CB-CZ 3.99Å
146R90.9Very high87.6Confident171 Ų17172 Ų7265%0.64536%0.362SS*.Hα-helixtrans-61.1-38.7177-74.6175.1-173.8-170.1-1112.4N142 R143 V144 N150N142-R146 VanDerWaalsContact ND2-CZ 3.31Å; N142-R146 PolarHBondContact ND2-NE 3.32Å; N142-R146 PolarHBondContact ND2-NH2 3.24Å; N142-R146 WeakPolarHBondContact O-CB 3.49Å; N142-R146 VanDerWaalsContact O-CG 3.27Å; N142-R146 WeakPolarHBondContact O-CG 2.74Å; N142-R146 PolarHBondContact O-N 2.82Å; N142-R146 PolarHBondContact OD1-NE 2.82Å; R143-R146 PolarHBondContact O-N 3Å; V144-R146 PolarHBondContact O-N 2.91Å; R146-N150 WeakPolarHBondContact O-CB 3.15Å; R146-N150 PolarHBondContact O-N 3.19Å
147A87.3Confident86.4Confident45 Ų4574.7 Ų74.737%0.37238%0.378SS..Hα-helixtrans-64.6-42.4175.500000110.8R143 V144 A145 Y149 N150 T153R143-A147 WeakPolarHBondContact O-CB 3.21Å; R143-A147 PolarHBondContact O-N 3Å; V144-A147 PolarHBondContact O-N 2.88Å; A145-A147 VanDerWaalsContact C-N 3.29Å; A145-A147 PolarHBondContact O-N 2.91Å; A147-Y149 PolarHBondContact O-N 3.25Å; A147-N150 PolarHBondContact O-N 3.02Å; A147-T153 VanDerWaalsContact O-CG2 3.28Å; A147-T153 WeakPolarHBondContact O-CG2 3.39Å; A147-T153 PolarHBondContact O-OG1 2.86Å
148F87Confident85.7Confident62 Ų6278.9 Ų78.927%0.27239%0.394SS..Hα-helixtrans-60.9-40.7179.1-169.9-87.7000113.5V144 A145 R158 E160V144-F148 PolarHBondContact O-N 3.43Å; A145-F148 WeakPolarHBondContact O-CB 3.47Å; A145-F148 PolarHBondContact O-N 3.31Å; A145-F148 VanDerWaalsContact O-N 3.16Å; F148-R158 HydrophobicContact CD2-CB 3.92Å; F148-R158 HydrophobicContact CD2-CG 4.48Å; F148-R158 HydrophobicContact CE2-CB 4.02Å; F148-E160 HydrophobicContact CE2-CG 4.26Å
149Y87.7Confident85.2Confident187 Ų18778.4 Ų78.473%0.73338%0.384SS*.THydrogen-bonded Turntrans-86.7-1.7179.9-69.1-69.5000114.6A145 A147 P151A145-Y149 WeakPolarHBondContact O-CD2 3.37Å; A145-Y149 PolarHBondContact O-N 3.17Å; A145-Y149 VanDerWaalsContact O-N 3.14Å; A147-Y149 PolarHBondContact O-N 3.25Å; Y149-P151 WeakPolarHBondContact O-CD 3.14Å
150N88.4Confident85Confident63 Ų6377.4 Ų77.434%0.33739%0.385SS..  trans-75.8121.5-178.5-178.3-13.4000110.2R146 A147 F152 T153R146-N150 WeakPolarHBondContact O-CB 3.15Å; R146-N150 PolarHBondContact O-N 3.19Å; A147-N150 PolarHBondContact O-N 3.02Å; N150-F152 PolarHBondContact O-N 3.28Å; N150-F152 VanDerWaalsContact O-N 3.14Å; N150-F152 WeakPolarHBondContact OD1-CB 3.48Å; N150-F152 WeakPolarHBondContact OD1-CD2 3.43Å; N150-F152 PolarHBondContact OD1-N 2.87Å; N150-T153 HydrophobicContact CB-CG2 3.95Å; N150-T153 PolarHBondContact O-N 3.35Å; N150-T153 PolarHBondContact O-OG1 3.05Å
151P85.4Confident85Confident112 Ų11281 Ų8173%0.72740%0.401SS*.THydrogen-bonded Turntrans-63.5-20.8-177.926.3-35.6000113.6Y149 T153Y149-P151 WeakPolarHBondContact O-CD 3.14Å; P151-T153 VanDerWaalsContact C-N 3.32Å
152F85.2Confident84.9Confident181 Ų18181 Ų8179%0.79440%0.4SS*.THydrogen-bonded Turntrans-84-5.4176.5-58.8-71.3000113.5N150 P154N150-F152 PolarHBondContact O-N 3.28Å; N150-F152 VanDerWaalsContact O-N 3.14Å; N150-F152 WeakPolarHBondContact OD1-CB 3.48Å; N150-F152 WeakPolarHBondContact OD1-CD2 3.43Å; N150-F152 PolarHBondContact OD1-N 2.87Å; F152-P154 WeakPolarHBondContact O-CD 3.32Å
153T80.3Confident84.9Confident32 Ų3279.2 Ų79.220%0.19639%0.394CS..SBendtrans-82121.9174.457.60000110.2A147 N150 P151 V155A147-T153 VanDerWaalsContact O-CG2 3.28Å; A147-T153 WeakPolarHBondContact O-CG2 3.39Å; A147-T153 PolarHBondContact O-OG1 2.86Å; N150-T153 HydrophobicContact CB-CG2 3.95Å; N150-T153 PolarHBondContact O-N 3.35Å; N150-T153 PolarHBondContact O-OG1 3.05Å; P151-T153 VanDerWaalsContact C-N 3.32Å; T153-V155 PolarHBondContact O-N 3.49Å
154P77.4Confident85.1Confident73 Ų7374.7 Ų74.747%0.47438%0.377SS..  trans-53134.5172.7-22.130.1000109.5F152 N156 T157F152-P154 WeakPolarHBondContact O-CD 3.32Å; P154-N156 PolarHBondContact O-N 2.67Å; P154-N156 VanDerWaalsContact O-N 3.07Å; P154-T157 WeakPolarHBondContact CD-OG1 3.08Å; P154-T157 PolarHBondContact O-N 3.43Å; P154-T157 PolarHBondContact O-OG1 3.2Å; P154-T157 VanDerWaalsContact O-OG1 3.12Å
155V71.6Confident85.3Confident103 Ų10374.1 Ų74.162%0.62437%0.373SS*.G310 helixtrans-50.9-34.2174.4-100.40000111.4T153 T157T153-V155 PolarHBondContact O-N 3.49Å; V155-T157 VanDerWaalsContact C-N 3.27Å; V155-T157 PolarHBondContact O-N 2.92Å
156N67.6Low85.5Confident88 Ų8878.1 Ų78.147%0.47139%0.386SS..G310 helixtrans-66.9-25.4-178.9-54.1-12.9000112.5Y35 P154Y35-N156 WeakPolarHBondContact CD1-O 3.2Å; Y35-N156 WeakPolarHBondContact CE1-O 3.27Å; P154-N156 PolarHBondContact O-N 2.67Å; P154-N156 VanDerWaalsContact O-N 3.07Å
157T70.3Confident85.8Confident57 Ų5773.1 Ų73.135%0.3537%0.372SS..G310 helixtrans-110.121-174.557.60000113.6Y35 P154 V155 F159Y35-T157 HydrophobicContact CE1-CG2 4.06Å; Y35-T157 WeakPolarHBondContact OH-CA 3.13Å; P154-T157 WeakPolarHBondContact CD-OG1 3.08Å; P154-T157 PolarHBondContact O-N 3.43Å; P154-T157 PolarHBondContact O-OG1 3.2Å; P154-T157 VanDerWaalsContact O-OG1 3.12Å; V155-T157 VanDerWaalsContact C-N 3.27Å; V155-T157 PolarHBondContact O-N 2.92Å; T157-F159 WeakPolarHBondContact O-CD2 3.49Å; T157-F159 PolarHBondContact O-N 2.96Å
158R80Confident86.3Confident87 Ų8771 Ų7133%0.32835%0.354SS..PPolyproline II helixtrans-76.7126.4-179.4-69.7-173.6-178.2176.52.2110.4F148F148-R158 HydrophobicContact CD2-CB 3.92Å; F148-R158 HydrophobicContact CD2-CG 4.48Å; F148-R158 HydrophobicContact CE2-CB 4.02Å
159F84.8Confident86.8Confident35 Ų3571.9 Ų71.915%0.15436%0.356CS..PPolyproline II helixtrans-99.3137.4175.2-73.7-88000110.6K31 M32 A33 E48 V144 T157K31-F159 HydrophobicContact CB-CB 4.18Å; K31-F159 HydrophobicContact CB-CD1 4.14Å; K31-F159 HydrophobicContact CB-CG 4.48Å; K31-F159 HydrophobicContact CD-CB 3.99Å; K31-F159 HydrophobicContact CD-CD1 3.6Å; K31-F159 HydrophobicContact CD-CD2 4.22Å; K31-F159 HydrophobicContact CD-CE1 4.07Å; K31-F159 HydrophobicContact CD-CG 3.68Å; K31-F159 HydrophobicContact CG-CB 4.38Å; K31-F159 HydrophobicContact CG-CD1 3.65Å; K31-F159 HydrophobicContact CG-CE1 4.18Å; K31-F159 HydrophobicContact CG-CG 4.16Å; M32-F159 CarbonylContact O-C 3.57Å; M32-F159 VanDerWaalsContact O-CA 3.31Å; M32-F159 WeakPolarHBondContact O-CA 3.48Å; A33-F159 HydrophobicContact CB-CD1 3.57Å; A33-F159 HydrophobicContact CB-CE1 3.67Å; A33-F159 HydrophobicContact CB-CG 4.12Å; A33-F159 HydrophobicContact CB-CZ 4.3Å; E48-F159 HydrophobicContact CG-CE1 4.32Å; E48-F159 WeakPolarHBondContact OE1-CZ 3.32Å; V144-F159 HydrophobicContact CG1-CB 4.34Å; V144-F159 WeakPolarHBondContact CG1-O 3.32Å; T157-F159 WeakPolarHBondContact O-CD2 3.49Å; T157-F159 PolarHBondContact O-N 2.96Å
160E90.2Very high87.2Confident116 Ų11665.2 Ų65.254%0.54234%0.34SS..EExtended strand (participates in β ladder)trans-100.2169.4172.3-60.9-176.416900111K31 M32 F148 G162K31-E160 WeakPolarHBondContact CA-O 3.13Å; M32-E160 PolarHBondContact N-O 3.08Å; M32-E160 PolarHBondContact O-N 3.07Å; F148-E160 HydrophobicContact CE2-CG 4.26Å; E160-G162 PolarHBondContact O-N 2.97Å
161F91.6Very high87.7Confident84 Ų8462.4 Ų62.437%0.36833%0.325SS..EExtended strand (participates in β ladder)trans-67127.2176.1-65.1-65.2000111.3G141 V144 A145 L165 F166G141-F161 VanDerWaalsContact O-CE1 3.32Å; G141-F161 WeakPolarHBondContact O-CE1 3.34Å; V144-F161 HydrophobicContact CB-CE1 4.41Å; V144-F161 HydrophobicContact CG1-CD1 4.44Å; A145-F161 HydrophobicContact CB-CZ 3.99Å; F161-L165 HydrophobicContact CD1-CD1 3.67Å; F161-L165 HydrophobicContact CE1-CD1 4.44Å; F161-F166 HydrophobicContact CB-CE2 3.98Å; F161-F166 HydrophobicContact CB-CZ 3.99Å
162G91.9Very high88.3Confident0 Ų057.1 Ų57.10%029%0.291CS..PPolyproline II helixtrans-84.9160.2172.100000113.3Q29 W30 E160 A164 L165 F166Q29-G162 CarbonylContact O-C 3.46Å; Q29-G162 WeakPolarHBondContact O-CA 3.5Å; W30-G162 PolarHBondContact O-N 3.06Å; W30-G162 VanDerWaalsContact O-N 3.15Å; E160-G162 PolarHBondContact O-N 2.97Å; G162-A164 PolarHBondContact O-N 3.15Å; G162-A164 VanDerWaalsContact O-N 3.17Å; G162-L165 PolarHBondContact O-N 2.92Å; G162-F166 WeakPolarHBondContact O-CD2 3.34Å
163S93.8Very high88.9Confident35 Ų3551 Ų5125%0.24527%0.271CS..Hα-helixtrans-53.4-32.5177.756.50000113.6Q29 L165 F166 I167Q29-S163 WeakPolarHBondContact CB-OG 3.18Å; Q29-S163 PolarHBondContact O-N 3.23Å; Q29-S163 PolarHBondContact OE1-OG 3.49Å; S163-L165 VanDerWaalsContact C-N 3.28Å; S163-L165 PolarHBondContact O-N 3.17Å; S163-F166 PolarHBondContact O-N 3.32Å; S163-I167 PolarHBondContact O-N 3.17Å; S163-I167 VanDerWaalsContact O-N 3.12Å
164A94.8Very high89.7Confident0 Ų052.4 Ų52.40%028%0.277CS..Hα-helixtrans-64.8-29.8-178.300000113.3S24 M27 Q29 W30 G162 G168S24-A164 PolarHBondContact OG-O 2.92Å; M27-A164 HydrophobicContact CB-CB 3.97Å; M27-A164 VanDerWaalsContact CE-CA 3.48Å; M27-A164 HydrophobicContact CE-CB 3.72Å; Q29-A164 WeakPolarHBondContact O-CB 3.4Å; Q29-A164 PolarHBondContact O-N 3.25Å; W30-A164 HydrophobicContact CG-CB 4.11Å; G162-A164 PolarHBondContact O-N 3.15Å; G162-A164 VanDerWaalsContact O-N 3.17Å; A164-G168 PolarHBondContact O-N 3.27Å
165L94.6Very high90.6Very high0 Ų049 Ų490%026%0.255CS..Hα-helixtrans-69.4-43.5176.6-73.6173.2000111.7W30 T137 Y140 F161 G162 S163 G168 W169W30-L165 HydrophobicContact CD2-CD2 4.45Å; W30-L165 HydrophobicContact CE3-CD2 3.61Å; W30-L165 HydrophobicContact CE3-CG 4.34Å; W30-L165 HydrophobicContact CZ3-CD2 3.73Å; W30-L165 WeakPolarHBondContact O-CD1 3.45Å; T137-L165 HydrophobicContact CG2-CD2 4.43Å; Y140-L165 HydrophobicContact CD1-CD1 4.31Å; Y140-L165 HydrophobicContact CD1-CD2 4.12Å; F161-L165 HydrophobicContact CD1-CD1 3.67Å; F161-L165 HydrophobicContact CE1-CD1 4.44Å; G162-L165 PolarHBondContact O-N 2.92Å; S163-L165 VanDerWaalsContact C-N 3.28Å; S163-L165 PolarHBondContact O-N 3.17Å; L165-G168 PolarHBondContact O-N 2.92Å; L165-W169 PolarHBondContact O-N 3.12Å
166F95.9Very high91.9Very high110 Ų11046.8 Ų46.848%0.48224%0.238SC..Hα-helixtrans-63.3-43.5176.8-61.1-72.2000111.6F161 G162 S163 G168 W169 A170F161-F166 HydrophobicContact CB-CE2 3.98Å; F161-F166 HydrophobicContact CB-CZ 3.99Å; G162-F166 WeakPolarHBondContact O-CD2 3.34Å; S163-F166 PolarHBondContact O-N 3.32Å; F166-G168 VanDerWaalsContact C-N 3.3Å; F166-G168 PolarHBondContact O-N 3.47Å; F166-W169 AromaticContact CD1-CE3 3.96Å; F166-W169 HydrophobicContact CD1-CE3 3.96Å; F166-W169 AromaticContact CD1-CZ3 3.78Å; F166-W169 HydrophobicContact CD1-CZ3 3.78Å; F166-W169 HydrophobicContact CE1-CE3 4.46Å; F166-W169 AromaticContact CE1-CZ3 3.82Å; F166-W169 HydrophobicContact CE1-CZ3 3.82Å; F166-W169 PolarHBondContact O-N 3.01Å; F166-A170 WeakPolarHBondContact O-CB 3.42Å; F166-A170 PolarHBondContact O-N 2.88Å
167I96.6Very high93.3Very high65 Ų6547.1 Ų47.133%0.33324%0.239SC..Hα-helixtrans-63.3-39.9174.7-69.6168.3000110.3M27 S163 A170 A171M27-I167 HydrophobicContact CE-CB 4.12Å; M27-I167 HydrophobicContact CE-CD1 3.31Å; M27-I167 HydrophobicContact CE-CG1 4.24Å; M27-I167 HydrophobicContact CE-CG2 4.35Å; M27-I167 HydrophobicContact SD-CD1 4.24Å; S163-I167 PolarHBondContact O-N 3.17Å; S163-I167 VanDerWaalsContact O-N 3.12Å; I167-A170 PolarHBondContact O-N 3.36Å; I167-A171 WeakPolarHBondContact O-CB 3.37Å; I167-A171 PolarHBondContact O-N 2.87Å
168G96.8Very high94.5Very high1 Ų144.4 Ų44.41%0.0122%0.223CC..Hα-helixtrans-61.2-44.2175.800000113.4S24 A164 L165 F166 A171 A172S24-G168 WeakPolarHBondContact OG-CA 3.39Å; A164-G168 PolarHBondContact O-N 3.27Å; L165-G168 PolarHBondContact O-N 2.92Å; F166-G168 VanDerWaalsContact C-N 3.3Å; F166-G168 PolarHBondContact O-N 3.47Å; G168-A171 PolarHBondContact O-N 3.18Å; G168-A172 VanDerWaalsContact O-CB 3.27Å; G168-A172 WeakPolarHBondContact O-CB 3.44Å; G168-A172 PolarHBondContact O-N 3.44Å
169W97.4Very high95.2Very high80 Ų8040.3 Ų40.330%0.30321%0.207SC..Hα-helixtrans-66.1-43.1176.3-64.9-25.4000112.8T137 L165 F166 A171 S173T137-W169 PolarHBondContact OG1-NE1 3.03Å; L165-W169 PolarHBondContact O-N 3.12Å; F166-W169 AromaticContact CD1-CE3 3.96Å; F166-W169 HydrophobicContact CD1-CE3 3.96Å; F166-W169 AromaticContact CD1-CZ3 3.78Å; F166-W169 HydrophobicContact CD1-CZ3 3.78Å; F166-W169 HydrophobicContact CE1-CE3 4.46Å; F166-W169 AromaticContact CE1-CZ3 3.82Å; F166-W169 HydrophobicContact CE1-CZ3 3.82Å; F166-W169 PolarHBondContact O-N 3.01Å; W169-A171 VanDerWaalsContact C-N 3.35Å; W169-S173 WeakPolarHBondContact O-CB 3.46Å; W169-S173 PolarHBondContact O-N 2.9Å; W169-S173 PolarHBondContact O-OG 3.29Å
170A97.8Very high95.7Very high48 Ų4840.3 Ų40.340%0.39721%0.214SC..Hα-helixtrans-63.5-42.4175.200000111.4F166 I167 S173 L174F166-A170 WeakPolarHBondContact O-CB 3.42Å; F166-A170 PolarHBondContact O-N 2.88Å; I167-A170 PolarHBondContact O-N 3.36Å; A170-S173 PolarHBondContact O-N 2.05Å; A170-S173 PolarHBondContact O-OG 2.92Å; A170-L174 WeakPolarHBondContact O-CB 3.48Å; A170-L174 VanDerWaalsContact O-CG 3.26Å; A170-L174 WeakPolarHBondContact O-CG 3.47Å; A170-L174 PolarHBondContact O-N 2.95Å
171A97.7Very high95.8Very high4 Ų438.1 Ų38.13%0.03320%0.203CC..Hα-helixtrans-66.1-43.817900000112.4G17 I21 I167 G168 W169 L174 A175G17-A171 VanDerWaalsContact CA-O 3.31Å; G17-A171 WeakPolarHBondContact CA-O 3.46Å; G17-A171 WeakPolarHBondContact O-CB 3.44Å; I21-A171 HydrophobicContact CG1-CB 3.9Å; I167-A171 WeakPolarHBondContact O-CB 3.37Å; I167-A171 PolarHBondContact O-N 2.87Å; G168-A171 PolarHBondContact O-N 3.18Å; W169-A171 VanDerWaalsContact C-N 3.35Å; A171-L174 PolarHBondContact O-N 2.79Å; A171-A175 WeakPolarHBondContact O-CB 3.42Å; A171-A175 PolarHBondContact O-N 2.78Å
172A97.6Very high95.8Very high0 Ų034.1 Ų34.10%019%0.185CC..Hα-helixtrans-63-43.1176.300000112.1G130 A133 L134 G168 A175 M176G130-A172 WeakPolarHBondContact O-CB 3.26Å; A133-A172 HydrophobicContact CB-CB 4.25Å; L134-A172 HydrophobicContact CB-CB 3.95Å; L134-A172 HydrophobicContact CD1-CB 4.21Å; G168-A172 VanDerWaalsContact O-CB 3.27Å; G168-A172 WeakPolarHBondContact O-CB 3.44Å; G168-A172 PolarHBondContact O-N 3.44Å; A172-A175 PolarHBondContact O-N 2.68Å; A172-M176 VanDerWaalsContact O-CG 3.31Å; A172-M176 WeakPolarHBondContact O-CG 3.48Å; A172-M176 PolarHBondContact O-N 3.31Å
173S97.7Very high95.7Very high54 Ų5435.5 Ų35.538%0.37820%0.195SC..Hα-helixtrans-66.5-42177.865.90000112W169 A170 A175 M176 L177W169-S173 WeakPolarHBondContact O-CB 3.46Å; W169-S173 PolarHBondContact O-N 2.9Å; W169-S173 PolarHBondContact O-OG 3.29Å; A170-S173 PolarHBondContact O-N 2.05Å; A170-S173 PolarHBondContact O-OG 2.92Å; S173-A175 PolarHBondContact O-N 3.35Å; S173-M176 PolarHBondContact O-N 3.38Å; S173-L177 WeakPolarHBondContact O-CB 3.34Å; S173-L177 VanDerWaalsContact O-CG 3.26Å; S173-L177 WeakPolarHBondContact O-CG 3.41Å; S173-L177 PolarHBondContact O-N 3.48Å
174L97.4Very high95.3Very high61 Ų6138.2 Ų38.232%0.31921%0.212SC..Hα-helixtrans-60.4-43.1173.1-74.4170.6000112.2L13 A170 A171 L177 G178L13-L174 HydrophobicContact CD2-CD2 3.81Å; A170-L174 WeakPolarHBondContact O-CB 3.48Å; A170-L174 VanDerWaalsContact O-CG 3.26Å; A170-L174 WeakPolarHBondContact O-CG 3.47Å; A170-L174 PolarHBondContact O-N 2.95Å; A171-L174 PolarHBondContact O-N 2.79Å; L174-L177 PolarHBondContact O-N 2.93Å; L174-G178 PolarHBondContact O-N 2.94Å
175A97.6Very high94.3Very high1 Ų138.3 Ų38.31%0.00821%0.213CC..Hα-helixtrans-61.8-44.4176.400000112.1I21 A171 A172 S173 G179I21-A175 HydrophobicContact CD1-CB 4.33Å; A171-A175 WeakPolarHBondContact O-CB 3.42Å; A171-A175 PolarHBondContact O-N 2.78Å; A172-A175 PolarHBondContact O-N 2.68Å; S173-A175 PolarHBondContact O-N 3.35Å; A175-G179 PolarHBondContact O-N 3.48Å
176M97.7Very high92.8Very high57 Ų5741.6 Ų41.628%0.28124%0.235SC..Hα-helixtrans-66.8-44.2177.5-70.6176.667.200112.4M131 L134 A172 S173 G179 A180M131-M176 HydrophobicContact CG-CE 3.76Å; M131-M176 HydrophobicContact CG-SD 3.97Å; L134-M176 HydrophobicContact CD2-SD 4.3Å; A172-M176 VanDerWaalsContact O-CG 3.31Å; A172-M176 WeakPolarHBondContact O-CG 3.48Å; A172-M176 PolarHBondContact O-N 3.31Å; S173-M176 PolarHBondContact O-N 3.38Å; M176-G179 PolarHBondContact O-N 3.24Å; M176-A180 WeakPolarHBondContact O-CB 3.2Å; M176-A180 PolarHBondContact O-N 2.93Å
177L96.9Very high90.9Very high95 Ų9539.8 Ų39.850%0.49723%0.234SC..Hα-helixtrans-65-44177.8-72.2172.7000111.5S173 L174 A180 F181S173-L177 WeakPolarHBondContact O-CB 3.34Å; S173-L177 VanDerWaalsContact O-CG 3.26Å; S173-L177 WeakPolarHBondContact O-CG 3.41Å; S173-L177 PolarHBondContact O-N 3.48Å; L174-L177 PolarHBondContact O-N 2.93Å; L177-A180 PolarHBondContact O-N 3.01Å; L177-F181 VanDerWaalsContact O-CD2 3.31Å; L177-F181 WeakPolarHBondContact O-CD2 3.38Å; L177-F181 PolarHBondContact O-N 2.84Å
178G95.6Very high88.5Confident0 Ų047.9 Ų47.90%026%0.261CS..Hα-helixtrans-61.1-44.817500000112.2G10 L174 A180 F181 L182G10-G178 CarbonylContact O-C 3.54Å; G10-G178 WeakPolarHBondContact O-CA 3.28Å; L174-G178 PolarHBondContact O-N 2.94Å; G178-A180 PolarHBondContact O-N 2.86Å; G178-F181 PolarHBondContact O-N 3Å; G178-L182 WeakPolarHBondContact O-CG 2.98Å; G178-L182 PolarHBondContact O-N 3.08Å
179G95.3Very high86.1Confident0 Ų058.1 Ų58.10%030%0.299CS..Hα-helixtrans-61.5-39.7173.600000113.4G123 A175 M176 L182 C183G123-G179 WeakPolarHBondContact O-CA 3.06Å; A175-G179 PolarHBondContact O-N 3.48Å; M176-G179 PolarHBondContact O-N 3.24Å; G179-L182 WeakPolarHBondContact O-CB 3.45Å; G179-L182 PolarHBondContact O-N 3.42Å; G179-C183 PolarHBondContact O-N 3.4Å; G179-C183 PolarHBondContact O-SG 3.14Å
180A94.8Very high83.3Confident36 Ų3662.2 Ų62.230%0.29832%0.322SS..Hα-helixtrans-63.6-44175.500000111.9M176 L177 G178 L182 C183 C184M176-A180 WeakPolarHBondContact O-CB 3.2Å; M176-A180 PolarHBondContact O-N 2.93Å; L177-A180 PolarHBondContact O-N 3.01Å; G178-A180 PolarHBondContact O-N 2.86Å; A180-L182 VanDerWaalsContact C-N 3.31Å; A180-L182 PolarHBondContact O-N 3.01Å; A180-C183 PolarHBondContact O-N 2.99Å; A180-C183 VanDerWaalsContact O-N 3.11Å; A180-C184 WeakPolarHBondContact O-CB 3.31Å; A180-C184 PolarHBondContact O-N 2.7Å; A180-C184 PolarHBondContact O-SG 3.27Å
181F93.2Very high80.5Confident70 Ų7065.8 Ų65.831%0.30734%0.339SS..Hα-helixtrans-63.1-36.4175.1-68.7-41.4000112.9L6 L13 L177 G178 C183 C184 S185L6-F181 HydrophobicContact CD1-CB 4.3Å; L6-F181 HydrophobicContact CD1-CD1 3.91Å; L6-F181 HydrophobicContact CD1-CE1 4.48Å; L6-F181 HydrophobicContact CD1-CG 4.15Å; L13-F181 HydrophobicContact CD1-CD2 3.72Å; L13-F181 HydrophobicContact CD1-CE2 3.61Å; L177-F181 VanDerWaalsContact O-CD2 3.31Å; L177-F181 WeakPolarHBondContact O-CD2 3.38Å; L177-F181 PolarHBondContact O-N 2.84Å; G178-F181 PolarHBondContact O-N 3Å; F181-C183 VanDerWaalsContact C-N 3.35Å; F181-C184 PolarHBondContact O-N 3.22Å; F181-S185 PolarHBondContact O-N 3.07Å; F181-S185 PolarHBondContact O-OG 3.31Å
182L90.8Very high77.8Confident0 Ų070.2 Ų70.20%037%0.37CS..Hα-helixtrans-64-39171.9-71.5171.1000111.8Q7 F11 A98 F126 G178 G179 A180 S185Q7-L182 HydrophobicContact CG-CD2 3.88Å; F11-L182 HydrophobicContact CB-CD2 4.42Å; A98-L182 HydrophobicContact CB-CD1 4.38Å; F126-L182 HydrophobicContact CD2-CD1 4.1Å; F126-L182 HydrophobicContact CE2-CD1 4.43Å; G178-L182 WeakPolarHBondContact O-CG 2.98Å; G178-L182 PolarHBondContact O-N 3.08Å; G179-L182 WeakPolarHBondContact O-CB 3.45Å; G179-L182 PolarHBondContact O-N 3.42Å; A180-L182 VanDerWaalsContact C-N 3.31Å; A180-L182 PolarHBondContact O-N 3.01Å; L182-S185 WeakPolarHBondContact O-CB 2.74Å; L182-S185 PolarHBondContact O-N 3.12Å
183C89.9Confident75.2Confident29 Ų2979.8 Ų79.820%0.19641%0.407CS..Hα-helixtrans-70.6-38.8176.9-650000112.8G179 A180 F181 S185 C186G179-C183 PolarHBondContact O-N 3.4Å; G179-C183 PolarHBondContact O-SG 3.14Å; A180-C183 PolarHBondContact O-N 2.99Å; A180-C183 VanDerWaalsContact O-N 3.11Å; F181-C183 VanDerWaalsContact C-N 3.35Å; C183-S185 PolarHBondContact O-N 2.92Å; C183-S185 VanDerWaalsContact O-N 3.15Å; C183-C186 PolarHBondContact O-N 2.98Å; C183-C186 PolarHBondContact O-SG 3.16Å
184C84.9Confident72.8Confident91 Ų9182.1 Ų82.162%0.61542%0.421SS*.THydrogen-bonded Turntrans-67.8-10.1177.1-68.90000113.3A180 F181 C186A180-C184 WeakPolarHBondContact O-CB 3.31Å; A180-C184 PolarHBondContact O-N 2.7Å; A180-C184 PolarHBondContact O-SG 3.27Å; F181-C184 PolarHBondContact O-N 3.22Å; C184-C186 PolarHBondContact O-N 3.03Å
185S73.2Confident70.6Confident3 Ų384.8 Ų84.82%0.02144%0.442CS..THydrogen-bonded Turntrans-75.91.9176.9-62.20000113.8A2 F181 L182 C183A2-S185 WeakPolarHBondContact CB-O 3.31Å; F181-S185 PolarHBondContact O-N 3.07Å; F181-S185 PolarHBondContact O-OG 3.31Å; L182-S185 WeakPolarHBondContact O-CB 2.74Å; L182-S185 PolarHBondContact O-N 3.12Å; C183-S185 PolarHBondContact O-N 2.92Å; C183-S185 VanDerWaalsContact O-N 3.15Å
186C63.6Low68.4Low68 Ų6891.4 Ų91.446%0.45948%0.483SS..PPolyproline II helixtrans-50.9130.5175.5-76.60000112.2V120 C183 C184 R188V120-C186 VanDerWaalsContact CG2-SG 3.53Å; C183-C186 PolarHBondContact O-N 2.98Å; C183-C186 PolarHBondContact O-SG 3.16Å; C184-C186 PolarHBondContact O-N 3.03Å; C186-R188 PolarHBondContact O-N 3.14Å; C186-R188 VanDerWaalsContact O-N 3.15Å
187P55.5Low66.3Low72 Ų72100.1 Ų100.147%0.46851%0.512SS..PPolyproline II helixtrans-62120.7160.524.6-27.7000107.4R189P187-R189 PolarHBondContact O-N 3.41Å
188R47.9Very low64Low235 Ų23599 Ų9989%0.88752%0.523SS*.PPolyproline II helixtrans-49.5118167.4-165.3173.5-170.51651.9105.7C186 E190C186-R188 PolarHBondContact O-N 3.14Å; C186-R188 VanDerWaalsContact O-N 3.15Å; R188-E190 VanDerWaalsContact C-N 3.28Å; R188-E190 PolarHBondContact O-N 3.31Å
189R44.9Very low62.1Low217 Ų217109.4 Ų109.482%0.81956%0.564SS**  trans-56.3107.7160-100.1-177.8168.4172.6-4103.6P187 T191P187-R189 PolarHBondContact O-N 3.41Å; R189-T191 PolarHBondContact O-N 3.49Å
190E39.3Very low59.9Low165 Ų165114.3 Ų114.377%0.77160%0.596SS**  trans-55.6109.9151.1-75-173.5176.900103.6R188 S192R188-E190 VanDerWaalsContact C-N 3.28Å; R188-E190 PolarHBondContact O-N 3.31Å; E190-S192 PolarHBondContact O-N 2.73Å
191T38.9Very low58.1Low123 Ų123122.5 Ų122.576%0.75563%0.625SS**  trans-53.588.3151.729.50000104.8R189 Y193R189-T191 PolarHBondContact O-N 3.49Å; T191-Y193 PolarHBondContact O-N 3.13Å
192S40.5Very low56.2Low98 Ų98126.4 Ų126.469%0.68565%0.649SS**  trans-58.491.5156.9-73.50000104.4E190E190-S192 PolarHBondContact O-N 2.73Å
193Y42.9Very low54.7Low201 Ų201130.5 Ų130.579%0.78868%0.683SS**PPolyproline II helixtrans-47.3123.8140-89.7-91.5000104.9T191T191-Y193 PolarHBondContact O-N 3.13Å
194P48.7Very low53Low102 Ų102135 Ų13566%0.66271%0.712SS**PPolyproline II helixtrans-52.3131.317421.5-29.9000106.5T196P194-T196 PolarHBondContact O-N 2.86Å
195P49.8Very low51.4Low117 Ų117136.2 Ų136.276%0.7672%0.721SS**PPolyproline II helixtrans-54.7122.5175.422.7-31.1000106.5R197P195-R197 PolarHBondContact O-N 2.95Å
196T52.8Low50.5Low141 Ų141142.6 Ų142.687%0.86576%0.76SS**  trans-52.2110.2174.4-250000105.9P194 G198P194-T196 PolarHBondContact O-N 2.86Å; T196-G198 PolarHBondContact O-N 3.46Å
197R51.8Low49.8Very low240 Ų240142.4 Ų142.491%0.90677%0.77SS**  trans-56.1103.9176.1-85.1179.9176.9166.3-1.7106.6P195 Y199P195-R197 PolarHBondContact O-N 2.95Å; R197-Y199 PolarHBondContact O-N 3.21Å
198G50.5Low49.5Very low70 Ų70147 Ų14772%0.72278%0.782SS**PPolyproline II helixtrans-57.6121.2168.500000107.4T196T196-G198 PolarHBondContact O-N 3.46Å
199Y54.5Low49.5Very low219 Ų219143.8 Ų143.886%0.85978%0.783SS**PPolyproline II helixtrans-49.9133.9170.3-108.7-97.8000109R197 K201R197-Y199 PolarHBondContact O-N 3.21Å; Y199-K201 PolarHBondContact O-N 3.09Å; Y199-K201 VanDerWaalsContact O-N 3.07Å
200P49.9Very low49.7Very low104 Ų104142.4 Ų142.468%0.67578%0.779SS**PPolyproline II helixtrans-60.611817123.7-29.5000108.2N202P200-N202 PolarHBondContact O-N 2.91Å; P200-N202 VanDerWaalsContact O-N 3.16Å
201K56.9Low49.9Very low208 Ų208145 Ų14590%0.90481%0.806SS**  trans-64.9111.8163.7-88.6-177.6174.5179.70106.6Y199 A203Y199-K201 PolarHBondContact O-N 3.09Å; Y199-K201 VanDerWaalsContact O-N 3.07Å; K201-A203 PolarHBondContact O-N 3.27Å
202N53.1Low50.4Low152 Ų152146.2 Ų146.281%0.81381%0.808SS**PPolyproline II helixtrans-55.2124.5168-72.9-14.8000108.6P200P200-N202 PolarHBondContact O-N 2.91Å; P200-N202 VanDerWaalsContact O-N 3.16Å
203A59.5Low50.9Low86 Ų86148.7 Ų148.771%0.71182%0.815SS**PPolyproline II helixtrans-66.5138.1169.900000108.9K201 S205K201-A203 PolarHBondContact O-N 3.27Å; A203-S205 PolarHBondContact O-N 3.48Å
204P52.9Low51.4Low123 Ų123145.8 Ų145.880%0.79982%0.816SS**PPolyproline II helixtrans-65.4129.7173.125.3-29.9000109.3T206P204-T206 PolarHBondContact O-N 2.83Å
205S52.8Low51.5Low117 Ų117148.4 Ų148.482%0.81883%0.825SS**PPolyproline II helixtrans-62.4117.2176.761.20000109.6A203 G207A203-S205 PolarHBondContact O-N 3.48Å; S205-G207 PolarHBondContact O-N 3.36Å
206T52.9Low51.6Low136 Ų136150.3 Ų150.383%0.83483%0.829SS**  trans-63.5106167.6-12.90000107.9P204 K208P204-T206 PolarHBondContact O-N 2.83Å; T206-K208 PolarHBondContact O-N 2.77Å
207G49.6Very low51.6Low64 Ų64150.9 Ų150.966%0.6683%0.827SS**  trans-58.1118.8169.300000108.8S205S205-G207 PolarHBondContact O-N 3.36Å
208K49.2Very low51.6Low168 Ų168144.6 Ų144.673%0.7382%0.821SS**  trans-82.9106.9164.1-76.4-179.9175.4177.60106.3T206 Y210T206-K208 PolarHBondContact O-N 2.77Å; K208-Y210 HydrophobicContact CB-CD1 3.89Å; K208-Y210 HydrophobicContact CB-CE1 3.5Å; K208-Y210 VanDerWaalsContact CB-CE1 3.5Å; K208-Y210 HydrophobicContact CD-CE1 4.36Å; K208-Y210 WeakPolarHBondContact O-CE1 3.26Å
209D48.8Very low51.6Low168 Ų168150.3 Ų150.390%0.89883%0.829SS**  trans-77.9121160.7-70.8-34.3000107.8
210Y48.2Very low51.4Low189 Ų189144.6 Ų144.674%0.74183%0.826SS**  trans-112.5119.9167.97.8-93.9000108K208K208-Y210 HydrophobicContact CB-CD1 3.89Å; K208-Y210 HydrophobicContact CB-CE1 3.5Å; K208-Y210 VanDerWaalsContact CB-CE1 3.5Å; K208-Y210 HydrophobicContact CD-CE1 4.36Å; K208-Y210 WeakPolarHBondContact O-CE1 3.26Å
211V43.1Very low51.5Low220 Ų220148.3 Ų148.3100%1.33384%0.84SS**  trans66.10165-163.20000117.1

Retrieved 211 of 211 residues in 98.8 ms (Link to these results)

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