A0A087YQP8_POEFO Loading...

Claudin

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

AlphaFold DB , UniProt , Accession A0A087YQP8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 210 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
1M48.6Very low80Confident196 Ų19667.5 Ų67.597%0.96639%0.39SS*.  0129.30-63.3178.5-150.800107.7
2A55.4Low81.2Confident29 Ų2965.7 Ų65.724%0.2439%0.389CS..  trans-61.5147.2174.400000111.1L6 K103 Q184A2-L6 HydrophobicContact CB-CD2 4.4Å; A2-K103 PolarHBondContact O-NZ 2.92Å; A2-Q184 HydrophobicContact CB-CB 3.87Å; A2-Q184 HydrophobicContact CB-CG 3.94Å
3S73.6Confident82.3Confident86 Ų8663.2 Ų63.260%0.60137%0.373SS*.  trans-55.1138.2176.9170.70000110.7G5 L6S3-G5 PolarHBondContact O-N 3.16Å; S3-G5 VanDerWaalsContact O-N 3.09Å; S3-G5 PolarHBondContact OG-N 2.88Å; S3-L6 PolarHBondContact O-N 3.2Å
4L80.2Confident83.1Confident82 Ų8258.6 Ų58.643%0.42935%0.346SS..Hα-helixtrans-47.1-36.2170.7-176.483.7000111.4L6 Q7 I8 K103L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L6 PolarHBondContact O-N 3.43Å; L4-Q7 PolarHBondContact O-N 3.22Å; L4-I8 HydrophobicContact CD2-CD1 3.97Å; L4-I8 HydrophobicContact CG-CD1 3.8Å; L4-I8 HydrophobicContact CG-CG1 4.45Å; L4-I8 WeakPolarHBondContact O-CG1 3.33Å; L4-I8 PolarHBondContact O-N 3.2Å; L4-K103 HydrophobicContact CD1-CB 3.84Å; L4-K103 HydrophobicContact CD1-CD 3.72Å; L4-K103 HydrophobicContact CD1-CG 4.37Å
5G84Confident84Confident42 Ų4258.1 Ų58.143%0.43334%0.343SS..Hα-helixtrans-61.8-36.217900000113.8S3 L9S3-G5 PolarHBondContact O-N 3.16Å; S3-G5 VanDerWaalsContact O-N 3.09Å; S3-G5 PolarHBondContact OG-N 2.88Å; G5-L9 VanDerWaalsContact O-CB 3.29Å; G5-L9 WeakPolarHBondContact O-CB 3.36Å; G5-L9 PolarHBondContact O-N 3.32Å
6L85.4Confident84.8Confident61 Ų6160.4 Ų60.432%0.31935%0.353SS..Hα-helixtrans-71.4-34.2179.1-161.667.3000111.7A2 S3 L4 G10 L180 Q184A2-L6 HydrophobicContact CB-CD2 4.4Å; S3-L6 PolarHBondContact O-N 3.2Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L6 PolarHBondContact O-N 3.43Å; L6-G10 PolarHBondContact O-N 3.41Å; L6-L180 HydrophobicContact CD1-CD2 3.8Å; L6-L180 HydrophobicContact CG-CD2 4.29Å; L6-Q184 VanDerWaalsContact C-NE2 3.31Å; L6-Q184 PolarHBondContact O-NE2 3.42Å
7Q86.6Confident85.4Confident15 Ų1556.9 Ų56.97%0.0733%0.332CS..Hα-helixtrans-68.3-46.7175.1-166.7176.7400111.3L4 L9 G10 V11 G101 L181L4-Q7 PolarHBondContact O-N 3.22Å; Q7-L9 VanDerWaalsContact C-N 3.32Å; Q7-L9 PolarHBondContact O-N 3.08Å; Q7-G10 PolarHBondContact O-N 3.09Å; Q7-V11 WeakPolarHBondContact O-CG2 3.37Å; Q7-V11 PolarHBondContact O-N 3.03Å; Q7-G101 PolarHBondContact NE2-O 3.46Å; Q7-L181 HydrophobicContact CG-CD2 4.26Å
8I89.5Confident86Confident100 Ų10056.7 Ų56.751%0.51333%0.325SS..Hα-helixtrans-61.2-44.5176.6-65.8167.5000110.2L4 V11 A12L4-I8 HydrophobicContact CD2-CD1 3.97Å; L4-I8 HydrophobicContact CG-CD1 3.8Å; L4-I8 HydrophobicContact CG-CG1 4.45Å; L4-I8 WeakPolarHBondContact O-CG1 3.33Å; L4-I8 PolarHBondContact O-N 3.2Å; I8-V11 PolarHBondContact O-N 3.09Å; I8-A12 VanDerWaalsContact O-CB 3.26Å; I8-A12 WeakPolarHBondContact O-CB 3.43Å; I8-A12 PolarHBondContact O-N 3.25Å
9L92.1Very high86.5Confident87 Ų8758.7 Ų58.746%0.45533%0.334SS..Hα-helixtrans-61.8-47.3177-179.162.6000111.8G5 Q7 V11 A12 L13 L180G5-L9 VanDerWaalsContact O-CB 3.29Å; G5-L9 WeakPolarHBondContact O-CB 3.36Å; G5-L9 PolarHBondContact O-N 3.32Å; Q7-L9 VanDerWaalsContact C-N 3.32Å; Q7-L9 PolarHBondContact O-N 3.08Å; L9-V11 PolarHBondContact O-N 3.34Å; L9-A12 PolarHBondContact O-N 2.99Å; L9-L13 HydrophobicContact CD1-CD1 4.1Å; L9-L13 HydrophobicContact CD1-CG 4.16Å; L9-L13 HydrophobicContact CG-CD1 4Å; L9-L13 HydrophobicContact CG-CG 4.47Å; L9-L13 VanDerWaalsContact O-CG 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 3.49Å; L9-L180 HydrophobicContact CD2-CD1 4.25Å; L9-L180 HydrophobicContact CG-CD1 4.29Å
10G92.2Very high86.9Confident0 Ų056.4 Ų56.40%032%0.323CS..Hα-helixtrans-59.2-45.2178.600000112.6L6 Q7 A14 G177L6-G10 PolarHBondContact O-N 3.41Å; Q7-G10 PolarHBondContact O-N 3.09Å; G10-A14 WeakPolarHBondContact O-CB 3.34Å; G10-A14 PolarHBondContact O-N 3.46Å; G10-G177 WeakPolarHBondContact O-CA 3.32Å
11V92.3Very high87.3Confident44 Ų4453.7 Ų53.727%0.26731%0.308SS..Hα-helixtrans-65.8-44176.1175.40000111.3Q7 I8 L9 L13 A14 V15 L181Q7-V11 WeakPolarHBondContact O-CG2 3.37Å; Q7-V11 PolarHBondContact O-N 3.03Å; I8-V11 PolarHBondContact O-N 3.09Å; L9-V11 PolarHBondContact O-N 3.34Å; V11-L13 PolarHBondContact O-N 3.13Å; V11-A14 PolarHBondContact O-N 3.05Å; V11-V15 HydrophobicContact CG1-CG2 4.22Å; V11-V15 VanDerWaalsContact O-CG2 3.29Å; V11-V15 WeakPolarHBondContact O-CG2 3.33Å; V11-V15 PolarHBondContact O-N 3.28Å; V11-L181 HydrophobicContact CG2-CD2 4.12Å
12A94.4Very high89.5Confident46 Ų4647.6 Ų47.638%0.3828%0.278SS..Hα-helixtrans-60.4-45.5179.300000111.8I8 L9 A14 V15 I16I8-A12 VanDerWaalsContact O-CB 3.26Å; I8-A12 WeakPolarHBondContact O-CB 3.43Å; I8-A12 PolarHBondContact O-N 3.25Å; L9-A12 PolarHBondContact O-N 2.99Å; A12-A14 VanDerWaalsContact C-N 3.34Å; A12-A14 PolarHBondContact O-N 2.87Å; A12-V15 PolarHBondContact O-N 3.27Å; A12-I16 VanDerWaalsContact O-CG1 3.3Å; A12-I16 WeakPolarHBondContact O-CG1 3.26Å; A12-I16 PolarHBondContact O-N 3.08Å
13L95.1Very high91.3Very high33 Ų3350.2 Ų50.217%0.17329%0.288CS..Hα-helixtrans-62.1-42.2175.7-68170.5000111.6L9 V11 I16 G17 L173 I176 L180L9-L13 HydrophobicContact CD1-CD1 4.1Å; L9-L13 HydrophobicContact CD1-CG 4.16Å; L9-L13 HydrophobicContact CG-CD1 4Å; L9-L13 HydrophobicContact CG-CG 4.47Å; L9-L13 VanDerWaalsContact O-CG 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 3.49Å; V11-L13 PolarHBondContact O-N 3.13Å; L13-I16 PolarHBondContact O-N 3Å; L13-G17 PolarHBondContact O-N 3.15Å; L13-L173 HydrophobicContact CD2-CD2 3.66Å; L13-I176 HydrophobicContact CD1-CG2 3.91Å; L13-L180 HydrophobicContact CD1-CD1 3.9Å
14A94.6Very high92.2Very high0 Ų046.1 Ų46.10%026%0.259CS..Hα-helixtrans-65.3-38.4178.100000112.6G10 V11 A12 G17 W18 F125 L174G10-A14 WeakPolarHBondContact O-CB 3.34Å; G10-A14 PolarHBondContact O-N 3.46Å; V11-A14 PolarHBondContact O-N 3.05Å; A12-A14 VanDerWaalsContact C-N 3.34Å; A12-A14 PolarHBondContact O-N 2.87Å; A14-G17 PolarHBondContact O-N 3.37Å; A14-W18 WeakPolarHBondContact O-CB 3.29Å; A14-W18 PolarHBondContact O-N 3.04Å; A14-F125 HydrophobicContact CB-CD1 4Å; A14-F125 HydrophobicContact CB-CD2 3.89Å; A14-F125 HydrophobicContact CB-CE1 3.79Å; A14-F125 HydrophobicContact CB-CE2 3.63Å; A14-F125 HydrophobicContact CB-CG 4.05Å; A14-F125 HydrophobicContact CB-CZ 3.58Å; A14-L174 WeakPolarHBondContact O-CD2 3.34Å
15V95.9Very high92.8Very high50 Ų5043 Ų4330%0.30325%0.245SC..Hα-helixtrans-65.2-45.6175.2171.90000111.1V11 A12 G17 W18 L19 L95V11-V15 HydrophobicContact CG1-CG2 4.22Å; V11-V15 VanDerWaalsContact O-CG2 3.29Å; V11-V15 WeakPolarHBondContact O-CG2 3.33Å; V11-V15 PolarHBondContact O-N 3.28Å; A12-V15 PolarHBondContact O-N 3.27Å; V15-G17 VanDerWaalsContact C-N 3.33Å; V15-G17 PolarHBondContact O-N 3.24Å; V15-W18 PolarHBondContact O-N 2.8Å; V15-L19 HydrophobicContact CG1-CD1 4.33Å; V15-L19 WeakPolarHBondContact O-CG 3.47Å; V15-L19 PolarHBondContact O-N 3.37Å; V15-L95 HydrophobicContact CG2-CD1 3.91Å
16I96.4Very high93Very high96 Ų9644 Ų4449%0.49225%0.249SC..Hα-helixtrans-62.7-43.4177.1-63.5165.5000110.3A12 L13 W18 L19 G20 L173A12-I16 VanDerWaalsContact O-CG1 3.3Å; A12-I16 WeakPolarHBondContact O-CG1 3.26Å; A12-I16 PolarHBondContact O-N 3.08Å; L13-I16 PolarHBondContact O-N 3Å; I16-W18 PolarHBondContact O-N 2.98Å; I16-L19 PolarHBondContact O-N 3.28Å; I16-G20 PolarHBondContact O-N 2.87Å; I16-L173 HydrophobicContact CG2-CD1 3.81Å
17G95.4Very high93.2Very high0 Ų043.8 Ų43.80%025%0.247CC..Hα-helixtrans-61.4-41.1175.500000112.9L13 A14 V15 G20 N21L13-G17 PolarHBondContact O-N 3.15Å; A14-G17 PolarHBondContact O-N 3.37Å; V15-G17 VanDerWaalsContact C-N 3.33Å; V15-G17 PolarHBondContact O-N 3.24Å; G17-G20 WeakPolarHBondContact O-CA 3.35Å; G17-G20 PolarHBondContact O-N 3.46Å; G17-N21 PolarHBondContact O-N 2.94Å; G17-N21 PolarHBondContact O-OD1 3.35Å
18W96.6Very high93.1Very high54 Ų5444.1 Ų44.121%0.20525%0.251CS..Hα-helixtrans-64.5-43.8175.9177.162.3000112.7A14 V15 I16 G20 N21 I22 F92 L95A14-W18 WeakPolarHBondContact O-CB 3.29Å; A14-W18 PolarHBondContact O-N 3.04Å; V15-W18 PolarHBondContact O-N 2.8Å; I16-W18 PolarHBondContact O-N 2.98Å; W18-G20 VanDerWaalsContact C-N 3.26Å; W18-G20 PolarHBondContact O-N 3.08Å; W18-N21 WeakPolarHBondContact O-CB 3.38Å; W18-N21 PolarHBondContact O-N 3.46Å; W18-I22 HydrophobicContact CD2-CD1 4Å; W18-I22 HydrophobicContact CE3-CD1 4.23Å; W18-I22 HydrophobicContact CH2-CD1 3.91Å; W18-I22 HydrophobicContact CZ2-CD1 3.65Å; W18-I22 HydrophobicContact CZ3-CD1 4.19Å; W18-I22 PolarHBondContact O-N 2.96Å; W18-I22 VanDerWaalsContact O-N 3.12Å; W18-F92 AromaticContact CZ2-CD2 3.94Å; W18-F92 HydrophobicContact CZ2-CD2 3.94Å; W18-L95 HydrophobicContact CD2-CD1 4.33Å; W18-L95 HydrophobicContact CE3-CD1 3.99Å; W18-L95 HydrophobicContact CZ3-CD1 4.37Å
19L96.1Very high93Very high95 Ų9541.1 Ų41.150%0.49724%0.236SC..Hα-helixtrans-61.2-38.2172.6-68.9174.7000111.4V15 I16 I22 L23V15-L19 HydrophobicContact CG1-CD1 4.33Å; V15-L19 WeakPolarHBondContact O-CG 3.47Å; V15-L19 PolarHBondContact O-N 3.37Å; I16-L19 PolarHBondContact O-N 3.28Å; L19-I22 PolarHBondContact O-N 3.32Å; L19-L23 WeakPolarHBondContact O-CB 3.29Å; L19-L23 PolarHBondContact O-N 3.31Å
20G94.4Very high92.8Very high12 Ų1237.3 Ų37.312%0.12422%0.215CC..Hα-helixtrans-56.3-48.9171.300000112.3I16 G17 W18 I22 L23 I24I16-G20 PolarHBondContact O-N 2.87Å; G17-G20 WeakPolarHBondContact O-CA 3.35Å; G17-G20 PolarHBondContact O-N 3.46Å; W18-G20 VanDerWaalsContact C-N 3.26Å; W18-G20 PolarHBondContact O-N 3.08Å; G20-I22 VanDerWaalsContact C-N 3.32Å; G20-I22 PolarHBondContact O-N 3.26Å; G20-L23 WeakPolarHBondContact O-CB 3.37Å; G20-L23 PolarHBondContact O-N 3.08Å; G20-L23 VanDerWaalsContact O-N 3.14Å; G20-I24 WeakPolarHBondContact O-CD1 3.39Å; G20-I24 VanDerWaalsContact O-CG1 3.25Å; G20-I24 WeakPolarHBondContact O-CG1 3.48Å; G20-I24 PolarHBondContact O-N 3.32Å
21N94.4Very high92.3Very high0 Ų038.2 Ų38.20%022%0.219CC..Hα-helixtrans-58.8-41.5177.1-75.511.8000112.6G17 W18 C25 I84 S87 I88 C132 L174G17-N21 PolarHBondContact O-N 2.94Å; G17-N21 PolarHBondContact O-OD1 3.35Å; W18-N21 WeakPolarHBondContact O-CB 3.38Å; W18-N21 PolarHBondContact O-N 3.46Å; N21-C25 WeakPolarHBondContact O-CB 3.41Å; N21-C25 PolarHBondContact O-N 3.39Å; N21-I84 HydrophobicContact CB-CD1 4.5Å; N21-S87 PolarHBondContact ND2-OG 3.03Å; N21-S87 VanDerWaalsContact ND2-OG 3.11Å; N21-I88 HydrophobicContact CB-CG1 3.87Å; N21-C132 PolarHBondContact OD1-SG 3.27Å; N21-L174 VanDerWaalsContact ND2-CD1 3.29Å; N21-L174 WeakPolarHBondContact ND2-CD1 3.42Å
22I94.4Very high91.9Very high67 Ų6737.3 Ų37.334%0.34421%0.213SC..Hα-helixtrans-63-45175.9-65.4169.6000110.4W18 L19 G20 I24 C25 A26 I88W18-I22 HydrophobicContact CD2-CD1 4Å; W18-I22 HydrophobicContact CE3-CD1 4.23Å; W18-I22 HydrophobicContact CH2-CD1 3.91Å; W18-I22 HydrophobicContact CZ2-CD1 3.65Å; W18-I22 HydrophobicContact CZ3-CD1 4.19Å; W18-I22 PolarHBondContact O-N 2.96Å; W18-I22 VanDerWaalsContact O-N 3.12Å; L19-I22 PolarHBondContact O-N 3.32Å; G20-I22 VanDerWaalsContact C-N 3.32Å; G20-I22 PolarHBondContact O-N 3.26Å; I22-I24 PolarHBondContact O-N 3.39Å; I22-C25 WeakPolarHBondContact O-CB 3.49Å; I22-C25 PolarHBondContact O-N 2.98Å; I22-A26 PolarHBondContact O-N 3.49Å; I22-I88 HydrophobicContact CG1-CG2 4.37Å
23L94.2Very high91.2Very high85 Ų8535.5 Ų35.545%0.44520%0.198SC..Hα-helixtrans-60.7-45.5179.7-178.964000111.8L19 G20 C25 A26 L27 V166L19-L23 WeakPolarHBondContact O-CB 3.29Å; L19-L23 PolarHBondContact O-N 3.31Å; G20-L23 WeakPolarHBondContact O-CB 3.37Å; G20-L23 PolarHBondContact O-N 3.08Å; G20-L23 VanDerWaalsContact O-N 3.14Å; L23-C25 VanDerWaalsContact C-N 3.31Å; L23-C25 PolarHBondContact O-N 3.11Å; L23-A26 PolarHBondContact O-N 3.21Å; L23-L27 HydrophobicContact CD1-CD1 3.66Å; L23-L27 HydrophobicContact CD1-CG 3.88Å; L23-L27 HydrophobicContact CD2-CD1 4.3Å; L23-L27 HydrophobicContact CG-CD1 3.65Å; L23-L27 HydrophobicContact CG-CG 4.26Å; L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 WeakPolarHBondContact O-CG 3.35Å; L23-L27 PolarHBondContact O-N 3.2Å; L23-V166 HydrophobicContact CD2-CG1 4.37Å
24I92.9Very high90Very high0 Ų035.1 Ų35.10%020%0.199CC..Hα-helixtrans-65.8-37178.3-63.2149.3000111G20 I22 A26 W30 C163 V166 A170G20-I24 WeakPolarHBondContact O-CD1 3.39Å; G20-I24 VanDerWaalsContact O-CG1 3.25Å; G20-I24 WeakPolarHBondContact O-CG1 3.48Å; G20-I24 PolarHBondContact O-N 3.32Å; I22-I24 PolarHBondContact O-N 3.39Å; I24-A26 VanDerWaalsContact C-N 3.32Å; I24-A26 PolarHBondContact O-N 3.43Å; I24-W30 HydrophobicContact CG2-CH2 4.01Å; I24-W30 HydrophobicContact CG2-CZ2 3.35Å; I24-W30 PolarHBondContact O-NE1 3.03Å; I24-C163 HydrophobicContact CG2-CB 4.32Å; I24-V166 HydrophobicContact CD1-CG1 4.16Å; I24-V166 HydrophobicContact CG1-CB 4.16Å; I24-V166 HydrophobicContact CG1-CG1 3.9Å; I24-A170 HydrophobicContact CD1-CB 3.89Å
25C91.6Very high88.7Confident17 Ų1738.5 Ų38.512%0.11521%0.214CC..Hα-helixtrans-62.5-39.5174.8-172.30000111.8N21 I22 L23 W51 I84 I88N21-C25 WeakPolarHBondContact O-CB 3.41Å; N21-C25 PolarHBondContact O-N 3.39Å; I22-C25 WeakPolarHBondContact O-CB 3.49Å; I22-C25 PolarHBondContact O-N 2.98Å; L23-C25 VanDerWaalsContact C-N 3.31Å; L23-C25 PolarHBondContact O-N 3.11Å; C25-W51 PolarHBondContact O-NE1 3.01Å; C25-W51 VanDerWaalsContact O-NE1 3.07Å; C25-W51 PolarHBondContact SG-NE1 3.4Å; C25-W51 VanDerWaalsContact SG-NE1 3.38Å; C25-I84 HydrophobicContact CB-CG1 4.16Å; C25-I84 HydrophobicContact CB-CG2 4.4Å; C25-I88 HydrophobicContact CB-CD1 3.8Å
26A89.1Confident86.9Confident63 Ų6342.2 Ų42.252%0.52123%0.231SC..Hα-helixtrans-82.3-35.1-17600000114.4I22 L23 I24I22-A26 PolarHBondContact O-N 3.49Å; L23-A26 PolarHBondContact O-N 3.21Å; I24-A26 VanDerWaalsContact C-N 3.32Å; I24-A26 PolarHBondContact O-N 3.43Å
27L88.3Confident84.9Confident56 Ų5639.5 Ų39.529%0.29323%0.226SC..  trans-74.6138-171.8-79.8173.6000113.1L23 L29 C163L23-L27 HydrophobicContact CD1-CD1 3.66Å; L23-L27 HydrophobicContact CD1-CG 3.88Å; L23-L27 HydrophobicContact CD2-CD1 4.3Å; L23-L27 HydrophobicContact CG-CD1 3.65Å; L23-L27 HydrophobicContact CG-CG 4.26Å; L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 WeakPolarHBondContact O-CG 3.35Å; L23-L27 PolarHBondContact O-N 3.2Å; L27-L29 PolarHBondContact O-N 3.38Å; L27-L29 VanDerWaalsContact O-N 3.16Å; L27-C163 WeakPolarHBondContact CB-SG 3.44Å
28P86.1Confident82.9Confident22 Ų2247.7 Ų47.714%0.14327%0.27CS..SBendtrans-89.440.2179.336.9-36.2000114.3E48 M52P28-E48 CarbonylContact O-C 3.6Å; P28-M52 HydrophobicContact CB-CG 3.65Å; P28-M52 HydrophobicContact CB-SD 4.36Å; P28-M52 HydrophobicContact CG-CG 4.2Å; P28-M52 HydrophobicContact CG-SD 4.26Å
29L86.6Confident80.5Confident37 Ų3751.3 Ų51.319%0.19429%0.293CS..  trans-12339.3-171.4-79.8161.2000111.5L27 W47 G161 A162 C163L27-L29 PolarHBondContact O-N 3.38Å; L27-L29 VanDerWaalsContact O-N 3.16Å; L29-W47 HydrophobicContact CD1-CZ3 4.4Å; L29-W47 HydrophobicContact CD2-CD2 3.8Å; L29-W47 HydrophobicContact CD2-CE3 3.3Å; L29-W47 HydrophobicContact CD2-CG 4.45Å; L29-W47 HydrophobicContact CD2-CH2 4.26Å; L29-W47 HydrophobicContact CD2-CZ3 3.57Å; L29-W47 HydrophobicContact CG-CE3 3.94Å; L29-W47 HydrophobicContact CG-CZ3 4.21Å; L29-G161 CarbonylContact O-C 3.18Å; L29-G161 WeakPolarHBondContact O-CA 2.97Å; L29-A162 PolarHBondContact O-N 3.01Å; L29-C163 HydrophobicContact CB-CB 4.43Å; L29-C163 WeakPolarHBondContact CB-SG 3.35Å; L29-C163 VanDerWaalsContact O-CB 3.23Å; L29-C163 WeakPolarHBondContact O-CB 3.34Å; L29-C163 PolarHBondContact O-N 2.97Å
30W87.4Confident78.3Confident7 Ų754 Ų543%0.02731%0.307CS..SBendtrans-81.5-39.6179.6-78.965.4000111.9I24 E48 L50 A80 T135 V136 P139 G161 C163 L164I24-W30 HydrophobicContact CG2-CH2 4.01Å; I24-W30 HydrophobicContact CG2-CZ2 3.35Å; I24-W30 PolarHBondContact O-NE1 3.03Å; W30-E48 WeakPolarHBondContact CB-O 3.43Å; W30-E48 PolarHBondContact N-O 3.36Å; W30-E48 VanDerWaalsContact N-O 3.08Å; W30-L50 HydrophobicContact CD2-CD1 4.44Å; W30-L50 HydrophobicContact CH2-CD1 4.41Å; W30-L50 HydrophobicContact CZ2-CB 4.49Å; W30-L50 HydrophobicContact CZ2-CD1 4.19Å; W30-L50 HydrophobicContact CZ2-CD2 3.96Å; W30-L50 HydrophobicContact CZ2-CG 4.46Å; W30-A80 HydrophobicContact CH2-CB 4.46Å; W30-A80 HydrophobicContact CZ3-CB 4.12Å; W30-T135 HydrophobicContact CH2-CG2 3.77Å; W30-T135 HydrophobicContact CZ3-CG2 4.23Å; W30-V136 HydrophobicContact CH2-CG1 4.34Å; W30-V136 HydrophobicContact CZ3-CG1 4.32Å; W30-P139 HydrophobicContact CE3-CG 4.3Å; W30-P139 HydrophobicContact CZ3-CG 4.18Å; W30-G161 PolarHBondContact O-N 3.01Å; W30-C163 HydrophobicContact CG-CB 4.46Å; W30-L164 HydrophobicContact CE3-CD2 3.98Å; W30-L164 HydrophobicContact CZ3-CD2 4.39Å; W30-L164 WeakPolarHBondContact O-CD1 3.43Å
31R83.1Confident76.4Confident19 Ų1960.1 Ų60.17%0.07234%0.342CS..EExtended strand (participates in β ladder)trans-140.8136.7-180-175.6-169.2-149.917220109.6E48 I143 D146 R158R31-E48 HydrophobicContact CB-CB 4.24Å; R31-E48 WeakPolarHBondContact CD-OE2 3.38Å; R31-E48 PolarHBondContact N-O 3.2Å; R31-E48 VanDerWaalsContact N-O 3.11Å; R31-E48 IonicContact NH1-OE2 2.77Å; R31-E48 PolarHBondContact NH1-OE2 3.46Å; R31-E48 PolarHBondContact O-N 2.93Å; R31-I143 HydrophobicContact CB-CD1 4.17Å; R31-I143 HydrophobicContact CG-CD1 3.88Å; R31-I143 HydrophobicContact CG-CG1 4.27Å; R31-D146 IonicContact NH2-OD2 3.43Å; R31-D146 PolarHBondContact NH2-OD2 2.96Å; R31-R158 HydrophobicContact CG-CB 4.31Å; R31-R158 VanDerWaalsContact NE-CG 3.25Å
32V83.7Confident74.6Confident25 Ų2563.7 Ų63.715%0.15236%0.363CS..EExtended strand (participates in β ladder)trans-114.4137.1177.2-178.60000107.6E159V32-E159 HydrophobicContact CB-CB 4.35Å; V32-E159 PolarHBondContact N-O 3.3Å; V32-E159 VanDerWaalsContact N-O 3.09Å; V32-E159 PolarHBondContact O-N 2.78Å
33S78Confident73Confident8 Ų862 Ų626%0.05636%0.36CS..EExtended strand (participates in β ladder)trans-135.8118.8173.7-60.90000107.7I46 R158S33-I46 PolarHBondContact N-O 2.95Å; S33-I46 PolarHBondContact O-N 3.34Å; S33-R158 VanDerWaalsContact OG-CG 3.28Å; S33-R158 WeakPolarHBondContact OG-CG 3.46Å
34A70.8Confident71.8Confident24 Ų2460.1 Ų60.120%0.19835%0.348CS..EExtended strand (participates in β ladder)trans-102.7111.7176.500000107.9I36A34-I36 HydrophobicContact CB-CD1 3.43Å; A34-I36 VanDerWaalsContact CB-CD1 3.43Å; A34-I36 HydrophobicContact CB-CG1 4.48Å; A34-I36 PolarHBondContact O-N 3.12Å; A34-I36 VanDerWaalsContact O-N 3.13Å
35F66.6Low71.2Confident72 Ų7262.4 Ų62.432%0.31636%0.364SS..EExtended strand (participates in β ladder)trans-81.793175.2-72.4-89.2000108.5Q44 I46 A155 Q156F35-Q44 HydrophobicContact CB-CG 4.04Å; F35-Q44 HydrophobicContact CD2-CG 4.1Å; F35-Q44 HydrophobicContact CG-CG 4.41Å; F35-Q44 PolarHBondContact N-O 3.49Å; F35-I46 HydrophobicContact CD2-CD1 3.87Å; F35-I46 HydrophobicContact CD2-CG1 4.03Å; F35-I46 HydrophobicContact CE2-CD1 3.45Å; F35-I46 VanDerWaalsContact CE2-CD1 3.45Å; F35-I46 HydrophobicContact CE2-CG1 3.95Å; F35-I46 HydrophobicContact CZ-CD1 4.48Å; F35-A155 WeakPolarHBondContact CD1-O 3.29Å; F35-Q156 HydrophobicContact CE1-CB 4.49Å; F35-Q156 HydrophobicContact CE1-CG 4.06Å; F35-Q156 HydrophobicContact CZ-CG 4.42Å
36I58.7Low70.8Confident127 Ų12763 Ų6365%0.65137%0.366SS*.  trans-109.484.2171.3-54.1111.5000108.2A34A34-I36 HydrophobicContact CB-CD1 3.43Å; A34-I36 VanDerWaalsContact CB-CD1 3.43Å; A34-I36 HydrophobicContact CB-CG1 4.48Å; A34-I36 PolarHBondContact O-N 3.12Å; A34-I36 VanDerWaalsContact O-N 3.13Å
37G55.6Low70.7Confident39 Ų3964.1 Ų64.140%0.40236%0.357SS..  trans-97166.3167.500000111.8N39G37-N39 CarbonylContact O-C 3.56Å; G37-N39 PolarHBondContact O-N 2.89Å
38N51.4Low70.6Confident172 Ų17263.6 Ų63.692%0.9235%0.353SS*.SBendtrans-54.6-7.3177.5-88.154.6000115.9
39N47.3Very low70.7Confident130 Ų13062.5 Ų62.570%0.69535%0.346SS*.  trans-96.793170.1-79.8-39.1000110G37 V41 V42G37-N39 CarbonylContact O-C 3.56Å; G37-N39 PolarHBondContact O-N 2.89Å; N39-V41 PolarHBondContact O-N 2.92Å; N39-V42 HydrophobicContact CB-CG2 4.44Å; N39-V42 PolarHBondContact O-N 2.66Å
40I50.7Low70.6Confident153 Ų15360.8 Ų60.879%0.78534%0.337SS*.G310 helixtrans-55.6-20.7179.9-53.8166.3000112.3V42I40-V42 PolarHBondContact O-N 3.22Å
41V53.9Low70.6Confident140 Ų14065.7 Ų65.785%0.84836%0.355SS*.G310 helixtrans-69.8-14.2-176.9-173.50000113.4N39N39-V41 PolarHBondContact O-N 2.92Å
42V56.6Low70.8Confident75 Ų7567.7 Ų67.746%0.45537%0.366SS..G310 helixtrans-128.120.1-174.1-128.10000114.6N39 I40 Q44N39-V42 HydrophobicContact CB-CG2 4.44Å; N39-V42 PolarHBondContact O-N 2.66Å; I40-V42 PolarHBondContact O-N 3.22Å; V42-Q44 PolarHBondContact O-N 2.92Å
43A59.8Low71Confident32 Ų3267.7 Ų67.726%0.26437%0.367SS..  trans-57.8112175.100000109.7S58A43-S58 PolarHBondContact O-N 2.87Å; A43-S58 PolarHBondContact O-OG 3.42Å
44Q70.3Confident71.4Confident45 Ų4567.4 Ų67.421%0.2137%0.365CS..EExtended strand (participates in β ladder)trans-136.2134.7-177.165.8-172.1-84.800110F35 V42 I46 V55 V56F35-Q44 HydrophobicContact CB-CG 4.04Å; F35-Q44 HydrophobicContact CD2-CG 4.1Å; F35-Q44 HydrophobicContact CG-CG 4.41Å; F35-Q44 PolarHBondContact N-O 3.49Å; V42-Q44 PolarHBondContact O-N 2.92Å; Q44-I46 HydrophobicContact CG-CG1 4.36Å; Q44-V55 HydrophobicContact CB-CG1 4.18Å; Q44-V56 WeakPolarHBondContact CA-O 3.25Å
45S80.2Confident72.2Confident47 Ų4768 Ų6833%0.32937%0.366SS..EExtended strand (participates in β ladder)trans-101.5115.8173.6-64.90000108.3V56S45-V56 PolarHBondContact N-O 3.35Å; S45-V56 PolarHBondContact O-N 2.88Å
46I83.5Confident73Confident29 Ų2966.8 Ų66.815%0.14937%0.365CS..EExtended strand (participates in β ladder)trans-101.4123.5178.8-51.9-166.3000108.6S33 F35 Q44 E48 V55S33-I46 PolarHBondContact N-O 2.95Å; S33-I46 PolarHBondContact O-N 3.34Å; F35-I46 HydrophobicContact CD2-CD1 3.87Å; F35-I46 HydrophobicContact CD2-CG1 4.03Å; F35-I46 HydrophobicContact CE2-CD1 3.45Å; F35-I46 VanDerWaalsContact CE2-CD1 3.45Å; F35-I46 HydrophobicContact CE2-CG1 3.95Å; F35-I46 HydrophobicContact CZ-CD1 4.48Å; Q44-I46 HydrophobicContact CG-CG1 4.36Å; I46-E48 HydrophobicContact CG2-CG 4.03Å; I46-V55 HydrophobicContact CD1-CG2 4.31Å; I46-V55 HydrophobicContact CG1-CG1 4.3Å; I46-V55 HydrophobicContact CG1-CG2 4.09Å; I46-V55 HydrophobicContact CG2-CG2 4.17Å
47W86.5Confident74.1Confident88 Ų8864.6 Ų64.633%0.33335%0.352SS..EExtended strand (participates in β ladder)trans-108.5106.8177.7-60.912.6000106.8L29 S53 C54L29-W47 HydrophobicContact CD1-CZ3 4.4Å; L29-W47 HydrophobicContact CD2-CD2 3.8Å; L29-W47 HydrophobicContact CD2-CE3 3.3Å; L29-W47 HydrophobicContact CD2-CG 4.45Å; L29-W47 HydrophobicContact CD2-CH2 4.26Å; L29-W47 HydrophobicContact CD2-CZ3 3.57Å; L29-W47 HydrophobicContact CG-CE3 3.94Å; L29-W47 HydrophobicContact CG-CZ3 4.21Å; W47-S53 CarbonylContact O-C 3.57Å; W47-S53 WeakPolarHBondContact O-CA 3.38Å; W47-C54 HydrophobicContact CB-CB 4.36Å; W47-C54 PolarHBondContact N-O 3.48Å; W47-C54 PolarHBondContact O-N 3.28Å
48E86.1Confident74.8Confident44 Ų4467.2 Ų67.221%0.20636%0.364CS..EExtended strand (participates in β ladder)trans-92120.9178.7-58.7-170.2138.300109.1P28 W30 R31 I46P28-E48 CarbonylContact O-C 3.6Å; W30-E48 WeakPolarHBondContact CB-O 3.43Å; W30-E48 PolarHBondContact N-O 3.36Å; W30-E48 VanDerWaalsContact N-O 3.08Å; R31-E48 HydrophobicContact CB-CB 4.24Å; R31-E48 WeakPolarHBondContact CD-OE2 3.38Å; R31-E48 PolarHBondContact N-O 3.2Å; R31-E48 VanDerWaalsContact N-O 3.11Å; R31-E48 IonicContact NH1-OE2 2.77Å; R31-E48 PolarHBondContact NH1-OE2 3.46Å; R31-E48 PolarHBondContact O-N 2.93Å; I46-E48 HydrophobicContact CG2-CG 4.03Å
49G87.9Confident75.8Confident0 Ų064.2 Ų64.20%035%0.352CS..  trans-99.9176.8173.700000113.4M52G49-M52 WeakPolarHBondContact CA-O 3.33Å; G49-M52 PolarHBondContact N-O 3.03Å
50L84.5Confident77Confident1 Ų161.1 Ų61.11%0.00535%0.351CS..SBendtrans-70.5-41.6172.6-155.467.4000111W30 L77 A80 R81 I84W30-L50 HydrophobicContact CD2-CD1 4.44Å; W30-L50 HydrophobicContact CH2-CD1 4.41Å; W30-L50 HydrophobicContact CZ2-CB 4.49Å; W30-L50 HydrophobicContact CZ2-CD1 4.19Å; W30-L50 HydrophobicContact CZ2-CD2 3.96Å; W30-L50 HydrophobicContact CZ2-CG 4.46Å; L50-L77 HydrophobicContact CD1-CD2 4.25Å; L50-A80 HydrophobicContact CD1-CB 4.21Å; L50-R81 HydrophobicContact CD1-CB 4.49Å; L50-R81 HydrophobicContact CD1-CG 3.72Å; L50-R81 HydrophobicContact CD2-CG 4.36Å; L50-R81 HydrophobicContact CG-CB 4.45Å; L50-R81 HydrophobicContact CG-CG 3.76Å; L50-R81 PolarHBondContact O-NE 3.22Å; L50-R81 PolarHBondContact O-NH2 3.18Å; L50-I84 HydrophobicContact CD2-CG2 3.49Å; L50-I84 VanDerWaalsContact CD2-CG2 3.49Å
51W87.1Confident78.4Confident109 Ų10959.6 Ų59.641%0.41334%0.34SS..SBendtrans-112-19.7-175.2-56.694.9000115.1C25 Y67 V85C25-W51 PolarHBondContact O-NE1 3.01Å; C25-W51 VanDerWaalsContact O-NE1 3.07Å; C25-W51 PolarHBondContact SG-NE1 3.4Å; C25-W51 VanDerWaalsContact SG-NE1 3.38Å; W51-Y67 WeakPolarHBondContact O-CD2 3.43Å; W51-Y67 PolarHBondContact O-N 3.45Å; W51-V85 HydrophobicContact CZ2-CG2 4.25Å
52M87.2Confident79.8Confident62 Ų6258.2 Ų58.231%0.30533%0.326SS..EExtended strand (participates in β ladder)trans-143.5155.4-178.866.7-17577.700109.6P28 G49 K65 V66P28-M52 HydrophobicContact CB-CG 3.65Å; P28-M52 HydrophobicContact CB-SD 4.36Å; P28-M52 HydrophobicContact CG-CG 4.2Å; P28-M52 HydrophobicContact CG-SD 4.26Å; G49-M52 WeakPolarHBondContact CA-O 3.33Å; G49-M52 PolarHBondContact N-O 3.03Å; M52-K65 WeakPolarHBondContact CA-O 3.45Å; M52-V66 HydrophobicContact CB-CG2 4.33Å
53S87.3Confident81.1Confident25 Ų2560.9 Ų60.918%0.17533%0.334CS..EExtended strand (participates in β ladder)trans-112.9144.2166.756.10000109.8W47 C64 K65W47-S53 CarbonylContact O-C 3.57Å; W47-S53 WeakPolarHBondContact O-CA 3.38Å; S53-C64 CarbonylContact O-C 3.59Å; S53-C64 VanDerWaalsContact O-CA 3.31Å; S53-C64 WeakPolarHBondContact O-CA 3.41Å; S53-K65 PolarHBondContact N-O 2.95Å; S53-K65 PolarHBondContact O-N 3.11Å
54C87.9Confident82.5Confident1 Ų162.7 Ų62.71%0.00734%0.344CS..EExtended strand (participates in β ladder)trans-120.1135.6174.9-62.40000109.4W47 M62 Q63 C64W47-C54 HydrophobicContact CB-CB 4.36Å; W47-C54 PolarHBondContact N-O 3.48Å; W47-C54 PolarHBondContact O-N 3.28Å; C54-M62 HydrophobicContact CB-CE 3.96Å; C54-Q63 CarbonylContact C-O 3.53Å; C54-Q63 WeakPolarHBondContact CA-O 3.28Å; C54-C64 HydrophobicContact CB-CB 4.17Å; C54-C64 WeakPolarHBondContact CB-SG 3.06Å; C54-C64 WeakPolarHBondContact SG-CB 3.46Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.35Å
55V86.6Confident83.3Confident37 Ų3766.6 Ų66.622%0.22436%0.36CS..EExtended strand (participates in β ladder)trans-117128.3175.5-178.10000108Q44 I46 M62 Q63Q44-V55 HydrophobicContact CB-CG1 4.18Å; I46-V55 HydrophobicContact CD1-CG2 4.31Å; I46-V55 HydrophobicContact CG1-CG1 4.3Å; I46-V55 HydrophobicContact CG1-CG2 4.09Å; I46-V55 HydrophobicContact CG2-CG2 4.17Å; V55-M62 WeakPolarHBondContact O-CA 3.3Å; V55-Q63 PolarHBondContact N-O 3.02Å; V55-Q63 PolarHBondContact O-N 3.01Å
56V83.7Confident83.6Confident47 Ų4768.8 Ų68.829%0.28537%0.371SS..EExtended strand (participates in β ladder)trans-109.4119.3172.6-177.90000107.8Q44 S45 M62Q44-V56 WeakPolarHBondContact CA-O 3.25Å; S45-V56 PolarHBondContact N-O 3.35Å; S45-V56 PolarHBondContact O-N 2.88Å; V56-M62 HydrophobicContact CG2-CB 4.38Å; V56-M62 HydrophobicContact CG2-CG 4.1Å
57Q81.1Confident83.5Confident80 Ų8070.2 Ų70.237%0.37438%0.375SS..EExtended strand (participates in β ladder)trans-100.6153.9-179.5-143155.355.300110.1T59 G60 Q61Q57-T59 PolarHBondContact O-N 3.44Å; Q57-G60 PolarHBondContact O-N 3.48Å; Q57-Q61 PolarHBondContact N-O 3.45Å; Q57-Q61 VanDerWaalsContact N-O 3.12Å
58S72.1Confident82.7Confident94 Ų9472.2 Ų72.266%0.65739%0.392SS*.THydrogen-bonded Turntrans-60.6-16.5-177-62.80000114.2A43 G60A43-S58 PolarHBondContact O-N 2.87Å; A43-S58 PolarHBondContact O-OG 3.42Å; S58-G60 PolarHBondContact O-N 3.04Å
59T71.8Confident81.8Confident110 Ų11073.8 Ų73.868%0.67541%0.408SS*.THydrogen-bonded Turntrans-73.4-1.117253.50000113.7Q57 Q61Q57-T59 PolarHBondContact O-N 3.44Å; T59-Q61 VanDerWaalsContact C-N 3.28Å; T59-Q61 PolarHBondContact O-N 3.21Å
60G73.1Confident80.5Confident65 Ų6579 Ų7967%0.6744%0.435SS*.SBendtrans81.51.3-179.800000114.2Q57 S58Q57-G60 PolarHBondContact O-N 3.48Å; S58-G60 PolarHBondContact O-N 3.04Å
61Q78.4Confident79.2Confident120 Ų12086.8 Ų86.856%0.56148%0.476SS*.  trans-79.6127.6174.5-63.6-154-35.700110.7Q57 T59Q57-Q61 PolarHBondContact N-O 3.45Å; Q57-Q61 VanDerWaalsContact N-O 3.12Å; T59-Q61 VanDerWaalsContact C-N 3.28Å; T59-Q61 PolarHBondContact O-N 3.21Å
62M83.4Confident77.6Confident111 Ų11185.8 Ų85.855%0.54749%0.491SS..EExtended strand (participates in β ladder)trans-105.7119.9171-179.4174.7-174.100108.6C54 V55 V56C54-M62 HydrophobicContact CB-CE 3.96Å; V55-M62 WeakPolarHBondContact O-CA 3.3Å; V56-M62 HydrophobicContact CG2-CB 4.38Å; V56-M62 HydrophobicContact CG2-CG 4.1Å
63Q85.1Confident76.6Confident132 Ų13283.4 Ų83.462%0.61748%0.48SS*.EExtended strand (participates in β ladder)trans-119.1118176.2-67.9-175-2500109C54 V55C54-Q63 CarbonylContact C-O 3.53Å; C54-Q63 WeakPolarHBondContact CA-O 3.28Å; V55-Q63 PolarHBondContact N-O 3.02Å; V55-Q63 PolarHBondContact O-N 3.01Å
64C89Confident75.8Confident70 Ų7084.6 Ų84.647%0.47349%0.486SS..EExtended strand (participates in β ladder)trans-104.1131.1172.2-64.10000109.8S53 C54S53-C64 CarbonylContact O-C 3.59Å; S53-C64 VanDerWaalsContact O-CA 3.31Å; S53-C64 WeakPolarHBondContact O-CA 3.41Å; C54-C64 HydrophobicContact CB-CB 4.17Å; C54-C64 WeakPolarHBondContact CB-SG 3.06Å; C54-C64 WeakPolarHBondContact SG-CB 3.46Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.35Å
65K86.7Confident75.2Confident127 Ų12789.1 Ų89.155%0.55252%0.516SS*.EExtended strand (participates in β ladder)trans-124.4130.7177.6-171176.1177.2-174.10110M52 S53 D68M52-K65 WeakPolarHBondContact CA-O 3.45Å; S53-K65 PolarHBondContact N-O 2.95Å; S53-K65 PolarHBondContact O-N 3.11Å; K65-D68 WeakPolarHBondContact CE-OD2 3.1Å; K65-D68 IonicContact NZ-OD2 2.74Å; K65-D68 PolarHBondContact NZ-OD2 3.33Å
66V86.6Confident74.6Confident93 Ų9391.3 Ų91.356%0.56453%0.526SS*.EExtended strand (participates in β ladder)trans-74.6142171.4-179.50000108.7M52 D68M52-V66 HydrophobicContact CB-CG2 4.33Å; V66-D68 PolarHBondContact O-N 3.42Å; V66-D68 VanDerWaalsContact O-N 3.15Å
67Y81.8Confident74.3Confident59 Ų5989.7 Ų89.723%0.23152%0.516CS..  trans-68.4112.6177.9-66.5-74.4000110.7W51 S69 L73W51-Y67 WeakPolarHBondContact O-CD2 3.43Å; W51-Y67 PolarHBondContact O-N 3.45Å; Y67-S69 VanDerWaalsContact C-N 3.33Å; Y67-S69 PolarHBondContact O-N 2.91Å; Y67-L73 HydrophobicContact CD1-CD1 3.85Å; Y67-L73 HydrophobicContact CD2-CD1 4.08Å; Y67-L73 HydrophobicContact CE1-CD1 3.6Å; Y67-L73 HydrophobicContact CE2-CD1 3.84Å; Y67-L73 HydrophobicContact CG-CD1 4.08Å
68D70.3Confident74.4Confident130 Ų13090.3 Ų90.370%0.69552%0.519SS*.SBendtrans-67.5-29.7-178.4-68.1-47.7000113.1K65 V66K65-D68 WeakPolarHBondContact CE-OD2 3.1Å; K65-D68 IonicContact NZ-OD2 2.74Å; K65-D68 PolarHBondContact NZ-OD2 3.33Å; V66-D68 PolarHBondContact O-N 3.42Å; V66-D68 VanDerWaalsContact O-N 3.15Å
69S66.6Low74.9Confident76 Ų7687.8 Ų87.853%0.53150%0.503SS..  trans-134.3122.9-177.1-68.80000111.5Y67 L71 A72Y67-S69 VanDerWaalsContact C-N 3.33Å; Y67-S69 PolarHBondContact O-N 2.91Å; S69-L71 PolarHBondContact O-N 3.32Å; S69-A72 PolarHBondContact O-N 3.45Å
70L59.4Low75.7Confident111 Ų11182.7 Ų82.758%0.58147%0.473SS*.G310 helixtrans-62.9-22.7178-61.7176.6000113.3
71L57.4Low76.4Confident163 Ų16380.5 Ų80.585%0.85344%0.444SS*.G310 helixtrans-82.2-13.4-173.7-15472.3000114.2S69S69-L71 PolarHBondContact O-N 3.32Å
72A54.1Low77Confident89 Ų8977.3 Ų77.374%0.73644%0.439SS*.G310 helixtrans-942.4-179.400000113.3S69S69-A72 PolarHBondContact O-N 3.45Å
73L65.6Low77.3Confident12 Ų1275 Ų756%0.06343%0.427CS..SBendtrans-88.8144-176.8-156.276.7000110.8Y67 L77Y67-L73 HydrophobicContact CD1-CD1 3.85Å; Y67-L73 HydrophobicContact CD2-CD1 4.08Å; Y67-L73 HydrophobicContact CE1-CD1 3.6Å; Y67-L73 HydrophobicContact CE2-CD1 3.84Å; Y67-L73 HydrophobicContact CG-CD1 4.08Å; L73-L77 HydrophobicContact CD2-CB 3.56Å; L73-L77 HydrophobicContact CG-CB 3.99Å
74P70.7Confident77.7Confident49 Ų4968.7 Ų68.732%0.31840%0.397SS..  trans-53138170.518.1-32.3000111.6D76 L77 Q78P74-D76 PolarHBondContact O-N 3.22Å; P74-D76 VanDerWaalsContact O-N 3.15Å; P74-L77 HydrophobicContact CG-CB 4.34Å; P74-L77 HydrophobicContact CG-CD1 3.57Å; P74-L77 PolarHBondContact O-N 3.32Å; P74-Q78 PolarHBondContact O-N 2.86Å
75P75.1Confident77.9Confident96 Ų9668 Ų6862%0.62339%0.391SS*.Hα-helixtrans-59.9-31.1-171.723.1-33.9000112.9L77 Q78 A79P75-L77 PolarHBondContact O-N 3.17Å; P75-Q78 PolarHBondContact O-N 3.11Å; P75-A79 PolarHBondContact O-N 2.8Å
76D75.1Confident78.3Confident84 Ų8465.6 Ų65.645%0.44938%0.383SS..Hα-helixtrans-62.2-41.4177.2-61.3-42.7000112.3P74 A80P74-D76 PolarHBondContact O-N 3.22Å; P74-D76 VanDerWaalsContact O-N 3.15Å; D76-A80 WeakPolarHBondContact O-CB 3.38Å; D76-A80 PolarHBondContact O-N 3.14Å; D76-A80 VanDerWaalsContact O-N 3.09Å
77L76.9Confident78.7Confident13 Ų1361.1 Ų61.17%0.06836%0.357CS..Hα-helixtrans-72.3-35.7176.8-91.7121.9000111.3L50 L73 P74 P75 A80 R81L50-L77 HydrophobicContact CD1-CD2 4.25Å; L73-L77 HydrophobicContact CD2-CB 3.56Å; L73-L77 HydrophobicContact CG-CB 3.99Å; P74-L77 HydrophobicContact CG-CB 4.34Å; P74-L77 HydrophobicContact CG-CD1 3.57Å; P74-L77 PolarHBondContact O-N 3.32Å; P75-L77 PolarHBondContact O-N 3.17Å; L77-A80 PolarHBondContact O-N 2.91Å; L77-R81 WeakPolarHBondContact O-CG 3.49Å; L77-R81 PolarHBondContact O-N 3.04Å
78Q82.9Confident79.4Confident93 Ų9359.8 Ų59.844%0.43535%0.353SS..Hα-helixtrans-64.1-43.9176.9-173176.4-5.600111.6P74 P75 A80 R81 A82P74-Q78 PolarHBondContact O-N 2.86Å; P75-Q78 PolarHBondContact O-N 3.11Å; Q78-A80 VanDerWaalsContact C-N 3.34Å; Q78-R81 WeakPolarHBondContact O-CB 3.41Å; Q78-R81 PolarHBondContact O-N 2.94Å; Q78-A82 PolarHBondContact O-N 2.91Å
79A83.9Confident80.6Confident40 Ų4057.8 Ų57.833%0.33134%0.342SS..Hα-helixtrans-61.5-43.1173.900000111.4P75 R81 A82 M83P75-A79 PolarHBondContact O-N 2.8Å; A79-R81 VanDerWaalsContact C-N 3.29Å; A79-R81 PolarHBondContact O-N 2.72Å; A79-A82 PolarHBondContact O-N 3.46Å; A79-M83 WeakPolarHBondContact O-CG 3.42Å; A79-M83 PolarHBondContact O-N 3.23Å
80A86.8Confident82Confident3 Ų357.2 Ų57.23%0.02533%0.33CS..Hα-helixtrans-60.5-35.8175.900000112.7W30 L50 D76 L77 Q78 A82 M83 I84 T135W30-A80 HydrophobicContact CH2-CB 4.46Å; W30-A80 HydrophobicContact CZ3-CB 4.12Å; L50-A80 HydrophobicContact CD1-CB 4.21Å; D76-A80 WeakPolarHBondContact O-CB 3.38Å; D76-A80 PolarHBondContact O-N 3.14Å; D76-A80 VanDerWaalsContact O-N 3.09Å; L77-A80 PolarHBondContact O-N 2.91Å; Q78-A80 VanDerWaalsContact C-N 3.34Å; A80-A82 PolarHBondContact O-N 2.97Å; A80-M83 PolarHBondContact O-N 3.05Å; A80-I84 WeakPolarHBondContact O-CG2 3.16Å; A80-I84 PolarHBondContact O-N 3.46Å; A80-T135 HydrophobicContact CB-CG2 3.98Å; A80-T135 WeakPolarHBondContact O-CG2 3.45Å
81R89Confident83.7Confident19 Ų1951.9 Ų51.97%0.07230%0.302CS..Hα-helixtrans-58.1-50.1174.3-53.7-154.7173.5154.3-7112.1L50 L77 Q78 A79 I84 V85L50-R81 HydrophobicContact CD1-CB 4.49Å; L50-R81 HydrophobicContact CD1-CG 3.72Å; L50-R81 HydrophobicContact CD2-CG 4.36Å; L50-R81 HydrophobicContact CG-CB 4.45Å; L50-R81 HydrophobicContact CG-CG 3.76Å; L50-R81 PolarHBondContact O-NE 3.22Å; L50-R81 PolarHBondContact O-NH2 3.18Å; L77-R81 WeakPolarHBondContact O-CG 3.49Å; L77-R81 PolarHBondContact O-N 3.04Å; Q78-R81 WeakPolarHBondContact O-CB 3.41Å; Q78-R81 PolarHBondContact O-N 2.94Å; A79-R81 VanDerWaalsContact C-N 3.29Å; A79-R81 PolarHBondContact O-N 2.72Å; R81-I84 WeakPolarHBondContact O-CG2 3.28Å; R81-V85 VanDerWaalsContact O-CG2 3.26Å; R81-V85 WeakPolarHBondContact O-CG2 3.15Å; R81-V85 PolarHBondContact O-N 3.47Å
82A89.8Confident85.5Confident54 Ų5448.2 Ų48.245%0.44628%0.279SS..Hα-helixtrans-65.2-45.8-178.700000110.7Q78 A79 A80 I84 V85 I86Q78-A82 PolarHBondContact O-N 2.91Å; A79-A82 PolarHBondContact O-N 3.46Å; A80-A82 PolarHBondContact O-N 2.97Å; A82-I84 PolarHBondContact O-N 3.39Å; A82-V85 PolarHBondContact O-N 2.94Å; A82-I86 WeakPolarHBondContact O-CD1 3.27Å; A82-I86 WeakPolarHBondContact O-CG1 3.35Å; A82-I86 PolarHBondContact O-N 3.14Å
83M90.7Very high87.4Confident61 Ų6149.2 Ų49.230%0.327%0.267SS..Hα-helixtrans-65.6-40.1-177.5-65.7-176.4-175.200112.9A79 A80 I86 S87 V134 T135 L138A79-M83 WeakPolarHBondContact O-CG 3.42Å; A79-M83 PolarHBondContact O-N 3.23Å; A80-M83 PolarHBondContact O-N 3.05Å; M83-I86 PolarHBondContact O-N 3.24Å; M83-S87 WeakPolarHBondContact O-CB 3.29Å; M83-S87 PolarHBondContact O-N 3.47Å; M83-V134 HydrophobicContact SD-CG1 3.94Å; M83-T135 HydrophobicContact CB-CG2 4.23Å; M83-T135 WeakPolarHBondContact CB-OG1 3.4Å; M83-L138 HydrophobicContact CE-CD1 4.24Å; M83-L138 HydrophobicContact SD-CD1 4.27Å
84I93.1Very high88.8Confident0 Ų048.6 Ų48.60%026%0.264CS..Hα-helixtrans-67.1-40.3178.4-16162.6000111.6N21 C25 L50 A80 R81 A82 S87 I88 T135N21-I84 HydrophobicContact CB-CD1 4.5Å; C25-I84 HydrophobicContact CB-CG1 4.16Å; C25-I84 HydrophobicContact CB-CG2 4.4Å; L50-I84 HydrophobicContact CD2-CG2 3.49Å; L50-I84 VanDerWaalsContact CD2-CG2 3.49Å; A80-I84 WeakPolarHBondContact O-CG2 3.16Å; A80-I84 PolarHBondContact O-N 3.46Å; R81-I84 WeakPolarHBondContact O-CG2 3.28Å; A82-I84 PolarHBondContact O-N 3.39Å; I84-S87 WeakPolarHBondContact O-CB 3.44Å; I84-S87 PolarHBondContact O-N 3.42Å; I84-I88 HydrophobicContact CG1-CD1 4.24Å; I84-I88 VanDerWaalsContact O-CG1 3.29Å; I84-I88 WeakPolarHBondContact O-CG1 3.46Å; I84-I88 PolarHBondContact O-N 2.96Å; I84-T135 HydrophobicContact CB-CG2 3.87Å; I84-T135 HydrophobicContact CD1-CG2 4.28Å
85V94.1Very high89.9Confident57 Ų5747.9 Ų47.935%0.34526%0.258SS..Hα-helixtrans-65.6-45.1179.5172.80000110W51 R81 A82 S87 I88 L89W51-V85 HydrophobicContact CZ2-CG2 4.25Å; R81-V85 VanDerWaalsContact O-CG2 3.26Å; R81-V85 WeakPolarHBondContact O-CG2 3.15Å; R81-V85 PolarHBondContact O-N 3.47Å; A82-V85 PolarHBondContact O-N 2.94Å; V85-S87 VanDerWaalsContact C-N 3.33Å; V85-S87 PolarHBondContact O-N 3.3Å; V85-I88 PolarHBondContact O-N 3.37Å; V85-L89 HydrophobicContact CG1-CD1 4.46Å; V85-L89 WeakPolarHBondContact O-CG 3.35Å; V85-L89 PolarHBondContact O-N 2.96Å
86I94.6Very high90.7Very high75 Ų7547.2 Ų47.239%0.38525%0.248SC..Hα-helixtrans-61.2-43.9175.2-64.1164.9000110.2A82 M83 I88 L89 F90 L131A82-I86 WeakPolarHBondContact O-CD1 3.27Å; A82-I86 WeakPolarHBondContact O-CG1 3.35Å; A82-I86 PolarHBondContact O-N 3.14Å; M83-I86 PolarHBondContact O-N 3.24Å; I86-I88 PolarHBondContact O-N 3.12Å; I86-L89 PolarHBondContact O-N 3.42Å; I86-F90 HydrophobicContact CG2-CD2 3.82Å; I86-F90 HydrophobicContact CG2-CE2 3.83Å; I86-F90 WeakPolarHBondContact O-CD2 3.25Å; I86-F90 PolarHBondContact O-N 3.44Å; I86-L131 HydrophobicContact CB-CD2 4.19Å; I86-L131 HydrophobicContact CG2-CD2 3.7Å
87S95.6Very high91.4Very high0 Ų045.5 Ų45.50%024%0.239CC..Hα-helixtrans-58-45.2176.3177.40000112N21 M83 I84 V85 L89 F90 S91 S128N21-S87 PolarHBondContact ND2-OG 3.03Å; N21-S87 VanDerWaalsContact ND2-OG 3.11Å; M83-S87 WeakPolarHBondContact O-CB 3.29Å; M83-S87 PolarHBondContact O-N 3.47Å; I84-S87 WeakPolarHBondContact O-CB 3.44Å; I84-S87 PolarHBondContact O-N 3.42Å; V85-S87 VanDerWaalsContact C-N 3.33Å; V85-S87 PolarHBondContact O-N 3.3Å; S87-L89 VanDerWaalsContact C-N 3.35Å; S87-L89 PolarHBondContact O-N 2.61Å; S87-F90 PolarHBondContact O-N 3.29Å; S87-S91 PolarHBondContact O-N 3.05Å; S87-S128 PolarHBondContact O-OG 3.32Å; S87-S128 PolarHBondContact OG-O 2.92Å; S87-S128 PolarHBondContact OG-OG 3.15Å
88I95.4Very high92Very high30 Ų3045.3 Ų45.315%0.15424%0.238CC..Hα-helixtrans-60.9-43177.4-69.7164.9000111.2N21 I22 C25 I84 V85 I86 S91 F92N21-I88 HydrophobicContact CB-CG1 3.87Å; I22-I88 HydrophobicContact CG1-CG2 4.37Å; C25-I88 HydrophobicContact CB-CD1 3.8Å; I84-I88 HydrophobicContact CG1-CD1 4.24Å; I84-I88 VanDerWaalsContact O-CG1 3.29Å; I84-I88 WeakPolarHBondContact O-CG1 3.46Å; I84-I88 PolarHBondContact O-N 2.96Å; V85-I88 PolarHBondContact O-N 3.37Å; I86-I88 PolarHBondContact O-N 3.12Å; I88-S91 PolarHBondContact O-N 3.18Å; I88-F92 WeakPolarHBondContact O-CB 3.42Å; I88-F92 PolarHBondContact O-N 3.05Å
89L96.2Very high92.2Very high89 Ų8944.9 Ų44.947%0.46624%0.242SC..Hα-helixtrans-63.3-44.8177.6-68.1175.2000111.7V85 I86 S87 S91 F92 F93V85-L89 HydrophobicContact CG1-CD1 4.46Å; V85-L89 WeakPolarHBondContact O-CG 3.35Å; V85-L89 PolarHBondContact O-N 2.96Å; I86-L89 PolarHBondContact O-N 3.42Å; S87-L89 VanDerWaalsContact C-N 3.35Å; S87-L89 PolarHBondContact O-N 2.61Å; L89-S91 PolarHBondContact O-N 3.3Å; L89-F92 WeakPolarHBondContact O-CB 3.24Å; L89-F92 PolarHBondContact O-N 3.45Å; L89-F93 WeakPolarHBondContact O-CD2 3.43Å; L89-F93 PolarHBondContact O-N 2.99Å
90F95.6Very high92.3Very high63 Ų6345.8 Ų45.828%0.27624%0.243SC..Hα-helixtrans-61.7-42.5176.8-90.3-108.9000112.2I86 S87 F92 F93 G94 F124 L127I86-F90 HydrophobicContact CG2-CD2 3.82Å; I86-F90 HydrophobicContact CG2-CE2 3.83Å; I86-F90 WeakPolarHBondContact O-CD2 3.25Å; I86-F90 PolarHBondContact O-N 3.44Å; S87-F90 PolarHBondContact O-N 3.29Å; F90-F92 VanDerWaalsContact C-N 3.34Å; F90-F93 PolarHBondContact O-N 3.18Å; F90-G94 PolarHBondContact O-N 2.91Å; F90-F124 AromaticContact CD1-CD1 3.6Å; F90-F124 HydrophobicContact CD1-CD1 3.6Å; F90-F124 HydrophobicContact CD1-CE1 4.06Å; F90-F124 AromaticContact CE1-CD1 3.99Å; F90-F124 HydrophobicContact CE1-CD1 3.99Å; F90-F124 AromaticContact CE1-CE1 3.97Å; F90-F124 HydrophobicContact CE1-CE1 3.97Å; F90-F124 HydrophobicContact CG-CD1 4.42Å; F90-L127 HydrophobicContact CD1-CB 4.38Å; F90-L127 HydrophobicContact CD1-CD2 3.59Å; F90-L127 HydrophobicContact CD1-CG 4.02Å; F90-L127 HydrophobicContact CE1-CD2 3.26Å; F90-L127 HydrophobicContact CE1-CG 4.14Å; F90-L127 HydrophobicContact CZ-CD2 4.2Å
91S94.9Very high92Very high0 Ų045.6 Ų45.60%024%0.242CC..Hα-helixtrans-63.7-38.8173.8-88.50000112.3S87 I88 L89 G94 L95 F125 S128 L174S87-S91 PolarHBondContact O-N 3.05Å; I88-S91 PolarHBondContact O-N 3.18Å; L89-S91 PolarHBondContact O-N 3.3Å; S91-G94 PolarHBondContact O-N 2.94Å; S91-L95 WeakPolarHBondContact O-CB 3.09Å; S91-L95 PolarHBondContact O-N 3.45Å; S91-F125 VanDerWaalsContact O-CE1 3.29Å; S91-F125 WeakPolarHBondContact O-CE1 3.3Å; S91-S128 WeakPolarHBondContact CB-OG 3.41Å; S91-S128 VanDerWaalsContact OG-CB 3.27Å; S91-S128 WeakPolarHBondContact OG-CB 3.28Å; S91-S128 PolarHBondContact OG-OG 3.26Å; S91-L174 WeakPolarHBondContact OG-CD2 3.25Å
92F95.5Very high91.5Very high86 Ų8645.3 Ų45.338%0.37725%0.245SC..Hα-helixtrans-62.7-45.9176.7179.5-106.1000111.6W18 I88 L89 F90 G94 L95 L96W18-F92 AromaticContact CZ2-CD2 3.94Å; W18-F92 HydrophobicContact CZ2-CD2 3.94Å; I88-F92 WeakPolarHBondContact O-CB 3.42Å; I88-F92 PolarHBondContact O-N 3.05Å; L89-F92 WeakPolarHBondContact O-CB 3.24Å; L89-F92 PolarHBondContact O-N 3.45Å; F90-F92 VanDerWaalsContact C-N 3.34Å; F92-G94 PolarHBondContact O-N 3.39Å; F92-L95 WeakPolarHBondContact O-CB 3.26Å; F92-L95 PolarHBondContact O-N 3.33Å; F92-L96 HydrophobicContact CD1-CD1 4.14Å; F92-L96 HydrophobicContact CE1-CD1 3.63Å; F92-L96 HydrophobicContact CE1-CG 4.26Å; F92-L96 HydrophobicContact CZ-CD1 4.01Å; F92-L96 HydrophobicContact CZ-CD2 4.29Å; F92-L96 HydrophobicContact CZ-CG 4.28Å; F92-L96 WeakPolarHBondContact O-CG 3.1Å; F92-L96 PolarHBondContact O-N 2.85Å
93F95.1Very high90.5Very high109 Ų10946.4 Ų46.448%0.47824%0.239SC..Hα-helixtrans-62.2-41.5173.6-73.9-64.6000112.4L89 F90 L95 L96 L97L89-F93 WeakPolarHBondContact O-CD2 3.43Å; L89-F93 PolarHBondContact O-N 2.99Å; F90-F93 PolarHBondContact O-N 3.18Å; F93-L95 VanDerWaalsContact C-N 3.28Å; F93-L95 PolarHBondContact O-N 3.44Å; F93-L96 PolarHBondContact O-N 3.37Å; F93-L97 WeakPolarHBondContact O-CG 3.39Å; F93-L97 PolarHBondContact O-N 3.21Å
94G93.8Very high89.2Confident0 Ų049.1 Ų49.10%026%0.263CS..Hα-helixtrans-59.6-37.5173.800000113.1F90 S91 F92 S98 A121 F125F90-G94 PolarHBondContact O-N 2.91Å; S91-G94 PolarHBondContact O-N 2.94Å; F92-G94 PolarHBondContact O-N 3.39Å; G94-S98 WeakPolarHBondContact O-CB 3.38Å; G94-S98 PolarHBondContact O-N 3.48Å; G94-S98 PolarHBondContact O-OG 2.86Å; G94-A121 WeakPolarHBondContact O-CB 3.48Å; G94-F125 VanDerWaalsContact C-CZ 3.44Å
95L93.6Very high88.1Confident34 Ų3451 Ų5118%0.17828%0.275CS..Hα-helixtrans-67.9-45.5176.8-167.4154.3000111.5V15 W18 S91 F92 F93 L97 S98 V99 F125V15-L95 HydrophobicContact CG2-CD1 3.91Å; W18-L95 HydrophobicContact CD2-CD1 4.33Å; W18-L95 HydrophobicContact CE3-CD1 3.99Å; W18-L95 HydrophobicContact CZ3-CD1 4.37Å; S91-L95 WeakPolarHBondContact O-CB 3.09Å; S91-L95 PolarHBondContact O-N 3.45Å; F92-L95 WeakPolarHBondContact O-CB 3.26Å; F92-L95 PolarHBondContact O-N 3.33Å; F93-L95 VanDerWaalsContact C-N 3.28Å; F93-L95 PolarHBondContact O-N 3.44Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-L97 PolarHBondContact O-N 3.35Å; L95-S98 WeakPolarHBondContact O-CB 3.42Å; L95-S98 PolarHBondContact O-N 2.9Å; L95-S98 VanDerWaalsContact O-N 3.12Å; L95-V99 HydrophobicContact CD2-CG2 4.17Å; L95-V99 WeakPolarHBondContact O-CG2 3.33Å; L95-V99 PolarHBondContact O-N 2.94Å; L95-F125 HydrophobicContact CB-CE1 4.43Å; L95-F125 HydrophobicContact CB-CZ 4.02Å
96L92.6Very high86.6Confident81 Ų8154.6 Ų54.642%0.42430%0.297SS..Hα-helixtrans-58.3-46175.1-67.1178.3000111.6F92 F93 S98 V99 V100F92-L96 HydrophobicContact CD1-CD1 4.14Å; F92-L96 HydrophobicContact CE1-CD1 3.63Å; F92-L96 HydrophobicContact CE1-CG 4.26Å; F92-L96 HydrophobicContact CZ-CD1 4.01Å; F92-L96 HydrophobicContact CZ-CD2 4.29Å; F92-L96 HydrophobicContact CZ-CG 4.28Å; F92-L96 WeakPolarHBondContact O-CG 3.1Å; F92-L96 PolarHBondContact O-N 2.85Å; F93-L96 PolarHBondContact O-N 3.37Å; L96-S98 VanDerWaalsContact C-N 3.29Å; L96-S98 PolarHBondContact O-N 3Å; L96-V99 PolarHBondContact O-N 2.89Å; L96-V100 WeakPolarHBondContact O-CG2 3.27Å; L96-V100 PolarHBondContact O-N 3.17Å; L96-V100 VanDerWaalsContact O-N 3.13Å
97L90.5Very high85.3Confident49 Ų4955.5 Ų55.526%0.25731%0.309SS..Hα-helixtrans-63.4-36.2176.4-68.5170.2000112F93 L95 V100 G101 V117 A121 F124F93-L97 WeakPolarHBondContact O-CG 3.39Å; F93-L97 PolarHBondContact O-N 3.21Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-L97 PolarHBondContact O-N 3.35Å; L97-V100 PolarHBondContact O-N 3.34Å; L97-G101 PolarHBondContact O-N 2.87Å; L97-V117 HydrophobicContact CB-CG1 4.38Å; L97-V117 HydrophobicContact CD2-CG1 4.32Å; L97-V117 WeakPolarHBondContact O-CG1 3.31Å; L97-A121 HydrophobicContact CB-CB 3.67Å; L97-F124 HydrophobicContact CD1-CD2 3.42Å; L97-F124 VanDerWaalsContact CD1-CD2 3.42Å; L97-F124 HydrophobicContact CD1-CE2 3.54Å; L97-F124 HydrophobicContact CD1-CG 4.43Å
98S88.7Confident84.1Confident8 Ų857.4 Ų57.46%0.05632%0.319CS..Hα-helixtrans-66.1-36.5176.2-62.20000112.9G94 L95 L96 G102 A121 F125G94-S98 WeakPolarHBondContact O-CB 3.38Å; G94-S98 PolarHBondContact O-N 3.48Å; G94-S98 PolarHBondContact O-OG 2.86Å; L95-S98 WeakPolarHBondContact O-CB 3.42Å; L95-S98 PolarHBondContact O-N 2.9Å; L95-S98 VanDerWaalsContact O-N 3.12Å; L96-S98 VanDerWaalsContact C-N 3.29Å; L96-S98 PolarHBondContact O-N 3Å; S98-G102 PolarHBondContact O-N 3.5Å; S98-A121 WeakPolarHBondContact OG-CB 3.29Å; S98-F125 VanDerWaalsContact OG-CE2 3.29Å; S98-F125 WeakPolarHBondContact OG-CE2 3.47Å
99V87.7Confident82.9Confident85 Ų8564.8 Ų64.852%0.51535%0.352SS..Hα-helixtrans-66.6-42.1175.5172.70000110.8L95 L96 G102 T105L95-V99 HydrophobicContact CD2-CG2 4.17Å; L95-V99 WeakPolarHBondContact O-CG2 3.33Å; L95-V99 PolarHBondContact O-N 2.94Å; L96-V99 PolarHBondContact O-N 2.89Å; V99-G102 PolarHBondContact O-N 3.46Å; V99-T105 WeakPolarHBondContact O-CB 3.27Å; V99-T105 PolarHBondContact O-OG1 3.49Å
100V85.6Confident82Confident58 Ų5864.4 Ų64.435%0.35235%0.351SS..Hα-helixtrans-70-37.9178177.40000111.9L96 L97 G102 C107 I108L96-V100 WeakPolarHBondContact O-CG2 3.27Å; L96-V100 PolarHBondContact O-N 3.17Å; L96-V100 VanDerWaalsContact O-N 3.13Å; L97-V100 PolarHBondContact O-N 3.34Å; V100-G102 VanDerWaalsContact C-N 3.31Å; V100-G102 PolarHBondContact O-N 2.9Å; V100-C107 HydrophobicContact CG1-CB 4.44Å; V100-I108 HydrophobicContact CG1-CD1 3.92Å; V100-I108 HydrophobicContact CG1-CG1 4.45Å
101G79.3Confident81.1Confident0 Ų066.1 Ų66.10%036%0.36CS..THydrogen-bonded Turntrans-80.8-4.3177.400000115Q7 L97 K114 C118Q7-G101 PolarHBondContact NE2-O 3.46Å; L97-G101 PolarHBondContact O-N 2.87Å; G101-K114 WeakPolarHBondContact O-CG 3.29Å; G101-C118 PolarHBondContact O-SG 3.45Å
102G79.2Confident80.4Confident13 Ų1370.2 Ų70.213%0.13439%0.385CS..  trans-61.8143.3-177.700000113.2S98 V99 V100 C104 T105 K114S98-G102 PolarHBondContact O-N 3.5Å; V99-G102 PolarHBondContact O-N 3.46Å; V100-G102 VanDerWaalsContact C-N 3.31Å; V100-G102 PolarHBondContact O-N 2.9Å; G102-C104 PolarHBondContact O-N 3.18Å; G102-T105 PolarHBondContact O-N 2.95Å; G102-K114 VanDerWaalsContact O-CE 3.32Å; G102-K114 WeakPolarHBondContact O-CE 3.46Å
103K69.1Low79.7Confident76 Ų7667.7 Ų67.733%0.3338%0.38SS..THydrogen-bonded Turntrans-62.4-23.5174.1-77.7-180-176.6167.40114A2 L4A2-K103 PolarHBondContact O-NZ 2.92Å; L4-K103 HydrophobicContact CD1-CB 3.84Å; L4-K103 HydrophobicContact CD1-CD 3.72Å; L4-K103 HydrophobicContact CD1-CG 4.37Å
104C64.3Low79Confident119 Ų11963.4 Ų63.480%0.80436%0.361SS*.THydrogen-bonded Turntrans-85.4-4.3-179.9-55.80000113.9G102G102-C104 PolarHBondContact O-N 3.18Å
105T68.6Low78.5Confident40 Ų4065 Ų6525%0.24537%0.374CS..  trans-109.6117.5-175.7-64.70000110.1V99 G102 C107V99-T105 WeakPolarHBondContact O-CB 3.27Å; V99-T105 PolarHBondContact O-OG1 3.49Å; G102-T105 PolarHBondContact O-N 2.95Å; T105-C107 HydrophobicContact CG2-CB 3.72Å; T105-C107 WeakPolarHBondContact CG2-SG 3.4Å; T105-C107 PolarHBondContact O-N 3.21Å; T105-C107 VanDerWaalsContact O-N 3.16Å
106T63.6Low78.1Confident132 Ų13272.6 Ų72.681%0.8140%0.4SS*.THydrogen-bonded Turntrans-82.728.7178.5-35.70000113I108T106-I108 VanDerWaalsContact C-N 3.31Å
107C66.4Low77.8Confident93 Ų9370.1 Ų70.163%0.62839%0.389SS*.THydrogen-bonded Turntrans-75-21.6179.2-71.30000113V100 T105V100-C107 HydrophobicContact CG1-CB 4.44Å; T105-C107 HydrophobicContact CG2-CB 3.72Å; T105-C107 WeakPolarHBondContact CG2-SG 3.4Å; T105-C107 PolarHBondContact O-N 3.21Å; T105-C107 VanDerWaalsContact O-N 3.16Å
108I70.6Confident77.7Confident41 Ų4168.3 Ų68.321%0.2138%0.38CS..  trans-135.8117.7-177.2-58.8175.7000108.3V100 T106 D110 A113 K114 V117V100-I108 HydrophobicContact CG1-CD1 3.92Å; V100-I108 HydrophobicContact CG1-CG1 4.45Å; T106-I108 VanDerWaalsContact C-N 3.31Å; I108-D110 HydrophobicContact CG2-CB 4.43Å; I108-D110 WeakPolarHBondContact CG2-O 3.45Å; I108-A113 HydrophobicContact CG2-CB 3.83Å; I108-K114 HydrophobicContact CG2-CB 4.46Å; I108-V117 HydrophobicContact CD1-CG2 4.04Å
109E70.4Confident77.7Confident184 Ų18470.2 Ų70.286%0.8639%0.389SS*.  trans-80.3-24.6175.6-77.9174.7127.200112.9E111E109-E111 PolarHBondContact O-N 2.87Å
110D77.9Confident77.9Confident81 Ų8167.9 Ų67.943%0.43338%0.377SS..  trans-81.6112.7177.9178.822.3000112.2I108 T112 A113 K114I108-D110 HydrophobicContact CG2-CB 4.43Å; I108-D110 WeakPolarHBondContact CG2-O 3.45Å; D110-T112 PolarHBondContact O-N 3.44Å; D110-T112 PolarHBondContact OD1-N 2.8Å; D110-T112 PolarHBondContact OD1-OG1 2.73Å; D110-T112 VanDerWaalsContact OD1-OG1 3.08Å; D110-T112 PolarHBondContact OD2-OG1 2.75Å; D110-A113 HydrophobicContact CB-CB 4.07Å; D110-A113 PolarHBondContact O-N 2.97Å; D110-A113 PolarHBondContact OD2-N 2.99Å; D110-K114 PolarHBondContact O-N 3.23Å
111E76.3Confident78.2Confident100 Ų10065.1 Ų65.147%0.46736%0.36SS..Hα-helixtrans-61.2-27.2177.9-74.4-69.513200112.8E109 K114 A115E109-E111 PolarHBondContact O-N 2.87Å; E111-K114 IonicContact OE1-NZ 3.09Å; E111-K114 PolarHBondContact OE1-NZ 3.04Å; E111-K114 VanDerWaalsContact OE1-NZ 3.09Å; E111-A115 PolarHBondContact O-N 3.07Å; E111-A115 VanDerWaalsContact O-N 3.08Å
112T78.8Confident78.9Confident86 Ų8665.1 Ų65.153%0.52836%0.36SS..Hα-helixtrans-75.7-41.7177.774.50000112.2D110 K114 A115 R116D110-T112 PolarHBondContact O-N 3.44Å; D110-T112 PolarHBondContact OD1-N 2.8Å; D110-T112 PolarHBondContact OD1-OG1 2.73Å; D110-T112 VanDerWaalsContact OD1-OG1 3.08Å; D110-T112 PolarHBondContact OD2-OG1 2.75Å; T112-K114 VanDerWaalsContact C-N 3.33Å; T112-A115 PolarHBondContact O-N 3.38Å; T112-R116 WeakPolarHBondContact O-CG 3.38Å; T112-R116 PolarHBondContact O-N 3.4Å; T112-R116 VanDerWaalsContact O-N 3.11Å
113A81.4Confident79.6Confident32 Ų3269.1 Ų69.126%0.26438%0.377SS..Hα-helixtrans-61.3-42.8172.500000111.3I108 D110 A115 R116 V117I108-A113 HydrophobicContact CG2-CB 3.83Å; D110-A113 HydrophobicContact CB-CB 4.07Å; D110-A113 PolarHBondContact O-N 2.97Å; D110-A113 PolarHBondContact OD2-N 2.99Å; A113-A115 PolarHBondContact O-N 2.97Å; A113-R116 PolarHBondContact O-N 2.05Å; A113-V117 WeakPolarHBondContact O-CG2 3.42Å; A113-V117 PolarHBondContact O-N 3.28Å
114K80.9Confident80.9Confident20 Ų2068.8 Ų68.89%0.08738%0.376CS..Hα-helixtrans-60.6-42.6176.2-173177.3-179.7177.20112.9G101 G102 I108 D110 E111 T112 V117 C118G101-K114 WeakPolarHBondContact O-CG 3.29Å; G102-K114 VanDerWaalsContact O-CE 3.32Å; G102-K114 WeakPolarHBondContact O-CE 3.46Å; I108-K114 HydrophobicContact CG2-CB 4.46Å; D110-K114 PolarHBondContact O-N 3.23Å; E111-K114 IonicContact OE1-NZ 3.09Å; E111-K114 PolarHBondContact OE1-NZ 3.04Å; E111-K114 VanDerWaalsContact OE1-NZ 3.09Å; T112-K114 VanDerWaalsContact C-N 3.33Å; K114-V117 PolarHBondContact O-N 2.98Å; K114-C118 PolarHBondContact O-N 3.47Å
115A82.2Confident82.4Confident34 Ų3463.2 Ų63.228%0.28134%0.338SS..Hα-helixtrans-61.6-43.4174.500000112E111 T112 A113 V117 C118 I119E111-A115 PolarHBondContact O-N 3.07Å; E111-A115 VanDerWaalsContact O-N 3.08Å; T112-A115 PolarHBondContact O-N 3.38Å; A113-A115 PolarHBondContact O-N 2.97Å; A115-V117 PolarHBondContact O-N 3.32Å; A115-C118 PolarHBondContact O-N 3.49Å; A115-I119 WeakPolarHBondContact O-CD1 3.19Å; A115-I119 VanDerWaalsContact O-CG1 3.25Å; A115-I119 WeakPolarHBondContact O-CG1 3.23Å; A115-I119 PolarHBondContact O-N 3.16Å
116R85.2Confident83.7Confident192 Ų19264 Ų6473%0.72534%0.34SS*.Hα-helixtrans-62.5-41.4176.3-70.3178.8179.7-169.81.2112.3T112 A113 I119 S120T112-R116 WeakPolarHBondContact O-CG 3.38Å; T112-R116 PolarHBondContact O-N 3.4Å; T112-R116 VanDerWaalsContact O-N 3.11Å; A113-R116 PolarHBondContact O-N 2.05Å; R116-I119 PolarHBondContact O-N 3.27Å; R116-S120 PolarHBondContact O-N 2.9Å
117V88.1Confident85.3Confident29 Ų2961.4 Ų61.418%0.17632%0.321CS..Hα-helixtrans-63.1-45.2176.5173.20000110.7L97 I108 A113 K114 A115 I119 S120 A121L97-V117 HydrophobicContact CB-CG1 4.38Å; L97-V117 HydrophobicContact CD2-CG1 4.32Å; L97-V117 WeakPolarHBondContact O-CG1 3.31Å; I108-V117 HydrophobicContact CD1-CG2 4.04Å; A113-V117 WeakPolarHBondContact O-CG2 3.42Å; A113-V117 PolarHBondContact O-N 3.28Å; K114-V117 PolarHBondContact O-N 2.98Å; A115-V117 PolarHBondContact O-N 3.32Å; V117-I119 PolarHBondContact O-N 3.42Å; V117-S120 PolarHBondContact O-N 3.27Å; V117-S120 PolarHBondContact O-OG 3.46Å; V117-A121 PolarHBondContact O-N 2.88Å
118C87.4Confident86.7Confident11 Ų1157 Ų577%0.07429%0.291CS..Hα-helixtrans-59.4-42.6175-80.40000113.2G101 K114 A115 A121 G122G101-C118 PolarHBondContact O-SG 3.45Å; K114-C118 PolarHBondContact O-N 3.47Å; A115-C118 PolarHBondContact O-N 3.49Å; C118-A121 WeakPolarHBondContact O-CB 3.24Å; C118-A121 PolarHBondContact O-N 2.94Å; C118-G122 PolarHBondContact O-N 3.04Å
119I88.6Confident87.9Confident48 Ų4855 Ų5525%0.24628%0.281CS..Hα-helixtrans-64-44.2176.7-64.6158000110.1A115 R116 V117 A121 G122 I123 C185A115-I119 WeakPolarHBondContact O-CD1 3.19Å; A115-I119 VanDerWaalsContact O-CG1 3.25Å; A115-I119 WeakPolarHBondContact O-CG1 3.23Å; A115-I119 PolarHBondContact O-N 3.16Å; R116-I119 PolarHBondContact O-N 3.27Å; V117-I119 PolarHBondContact O-N 3.42Å; I119-A121 VanDerWaalsContact C-N 3.3Å; I119-A121 PolarHBondContact O-N 3.11Å; I119-G122 PolarHBondContact O-N 2.64Å; I119-G122 VanDerWaalsContact O-N 3.17Å; I119-I123 HydrophobicContact CG2-CD1 4.14Å; I119-I123 WeakPolarHBondContact O-CG1 3.43Å; I119-I123 PolarHBondContact O-N 2.88Å; I119-C185 WeakPolarHBondContact CD1-SG 3.28Å
120S91.5Very high89.1Confident36 Ų3648.2 Ų48.225%0.25226%0.257SS..Hα-helixtrans-59.5-42.617775.10000111.5R116 V117 G122 I123 F124R116-S120 PolarHBondContact O-N 2.9Å; V117-S120 PolarHBondContact O-N 3.27Å; V117-S120 PolarHBondContact O-OG 3.46Å; S120-G122 VanDerWaalsContact C-N 3.34Å; S120-G122 PolarHBondContact O-N 3.01Å; S120-I123 PolarHBondContact O-N 2.76Å; S120-F124 WeakPolarHBondContact O-CD2 3.37Å; S120-F124 PolarHBondContact O-N 3.4Å
121A92.8Very high89.9Confident0 Ų046.3 Ų46.30%025%0.246CC..Hα-helixtrans-59.9-43.7175.500000112.1G94 L97 S98 V117 C118 I119 I123 F124 F125G94-A121 WeakPolarHBondContact O-CB 3.48Å; L97-A121 HydrophobicContact CB-CB 3.67Å; S98-A121 WeakPolarHBondContact OG-CB 3.29Å; V117-A121 PolarHBondContact O-N 2.88Å; C118-A121 WeakPolarHBondContact O-CB 3.24Å; C118-A121 PolarHBondContact O-N 2.94Å; I119-A121 VanDerWaalsContact C-N 3.3Å; I119-A121 PolarHBondContact O-N 3.11Å; A121-I123 VanDerWaalsContact C-N 3.34Å; A121-I123 PolarHBondContact O-N 3.04Å; A121-F124 PolarHBondContact O-N 2.91Å; A121-F125 VanDerWaalsContact O-CD2 3.28Å; A121-F125 WeakPolarHBondContact O-CD2 3.48Å; A121-F125 PolarHBondContact O-N 3.28Å
122G92.7Very high90.8Very high0 Ų041.5 Ų41.50%022%0.224CC..Hα-helixtrans-59.5-41.2174.700000112.9C118 I119 S120 F125 L126 C182C118-G122 PolarHBondContact O-N 3.04Å; I119-G122 PolarHBondContact O-N 2.64Å; I119-G122 VanDerWaalsContact O-N 3.17Å; S120-G122 VanDerWaalsContact C-N 3.34Å; S120-G122 PolarHBondContact O-N 3.01Å; G122-F125 PolarHBondContact O-N 3.15Å; G122-L126 WeakPolarHBondContact O-CG 3.47Å; G122-L126 PolarHBondContact O-N 2.76Å; G122-C182 VanDerWaalsContact C-SG 3.54Å
123I95Very high91.6Very high97 Ų9740.3 Ų40.350%0.49721%0.214SC..Hα-helixtrans-63.2-43.6176-65.1166.3000111.1I119 S120 A121 F125 L126 L127I119-I123 HydrophobicContact CG2-CD1 4.14Å; I119-I123 WeakPolarHBondContact O-CG1 3.43Å; I119-I123 PolarHBondContact O-N 2.88Å; S120-I123 PolarHBondContact O-N 2.76Å; A121-I123 VanDerWaalsContact C-N 3.34Å; A121-I123 PolarHBondContact O-N 3.04Å; I123-F125 VanDerWaalsContact C-N 3.32Å; I123-F125 PolarHBondContact O-N 3.02Å; I123-L126 PolarHBondContact O-N 3.36Å; I123-L127 WeakPolarHBondContact O-CB 3.03Å; I123-L127 PolarHBondContact O-N 2.9Å
124F96Very high92.2Very high69 Ų6941.9 Ų41.930%0.30322%0.22SC..Hα-helixtrans-60.9-40.4175.9-82-75.2000112.2F90 L97 S120 A121 S128F90-F124 AromaticContact CD1-CD1 3.6Å; F90-F124 HydrophobicContact CD1-CD1 3.6Å; F90-F124 HydrophobicContact CD1-CE1 4.06Å; F90-F124 AromaticContact CE1-CD1 3.99Å; F90-F124 HydrophobicContact CE1-CD1 3.99Å; F90-F124 AromaticContact CE1-CE1 3.97Å; F90-F124 HydrophobicContact CE1-CE1 3.97Å; F90-F124 HydrophobicContact CG-CD1 4.42Å; L97-F124 HydrophobicContact CD1-CD2 3.42Å; L97-F124 VanDerWaalsContact CD1-CD2 3.42Å; L97-F124 HydrophobicContact CD1-CE2 3.54Å; L97-F124 HydrophobicContact CD1-CG 4.43Å; S120-F124 WeakPolarHBondContact O-CD2 3.37Å; S120-F124 PolarHBondContact O-N 3.4Å; A121-F124 PolarHBondContact O-N 2.91Å; F124-S128 VanDerWaalsContact O-CB 3.27Å; F124-S128 WeakPolarHBondContact O-CB 3.37Å; F124-S128 PolarHBondContact O-N 3.48Å
125F95.8Very high92.7Very high2 Ų241 Ų411%0.00922%0.216CC..Hα-helixtrans-68.5-39.7174.8-74-51.6000113.4A14 S91 G94 L95 S98 A121 G122 I123 S128 G129 L174 L181A14-F125 HydrophobicContact CB-CD1 4Å; A14-F125 HydrophobicContact CB-CD2 3.89Å; A14-F125 HydrophobicContact CB-CE1 3.79Å; A14-F125 HydrophobicContact CB-CE2 3.63Å; A14-F125 HydrophobicContact CB-CG 4.05Å; A14-F125 HydrophobicContact CB-CZ 3.58Å; S91-F125 VanDerWaalsContact O-CE1 3.29Å; S91-F125 WeakPolarHBondContact O-CE1 3.3Å; G94-F125 VanDerWaalsContact C-CZ 3.44Å; L95-F125 HydrophobicContact CB-CE1 4.43Å; L95-F125 HydrophobicContact CB-CZ 4.02Å; S98-F125 VanDerWaalsContact OG-CE2 3.29Å; S98-F125 WeakPolarHBondContact OG-CE2 3.47Å; A121-F125 VanDerWaalsContact O-CD2 3.28Å; A121-F125 WeakPolarHBondContact O-CD2 3.48Å; A121-F125 PolarHBondContact O-N 3.28Å; G122-F125 PolarHBondContact O-N 3.15Å; I123-F125 VanDerWaalsContact C-N 3.32Å; I123-F125 PolarHBondContact O-N 3.02Å; F125-S128 PolarHBondContact O-N 3.35Å; F125-G129 PolarHBondContact O-N 3.39Å; F125-L174 HydrophobicContact CD1-CD2 3.93Å; F125-L174 HydrophobicContact CE1-CD2 4.45Å; F125-L181 HydrophobicContact CD2-CD1 3.76Å; F125-L181 HydrophobicContact CE2-CD1 3.9Å
126L96.4Very high93.2Very high56 Ų5639.4 Ų39.429%0.29320%0.203SC..Hα-helixtrans-61.5-46.1175.2-75.6171.8000111.3G122 I123 G129 A130 L175 A179G122-L126 WeakPolarHBondContact O-CG 3.47Å; G122-L126 PolarHBondContact O-N 2.76Å; I123-L126 PolarHBondContact O-N 3.36Å; L126-G129 PolarHBondContact O-N 2.84Å; L126-A130 WeakPolarHBondContact O-CB 3.37Å; L126-A130 PolarHBondContact O-N 2.87Å; L126-L175 HydrophobicContact CD2-CD2 3.93Å; L126-L175 WeakPolarHBondContact CD2-O 3.3Å; L126-L175 WeakPolarHBondContact O-CD2 3.41Å; L126-A179 HydrophobicContact CD2-CB 4.29Å
127L96.3Very high93.6Very high78 Ų7832.6 Ų32.641%0.40819%0.185SC..Hα-helixtrans-64.3-45.9177.7-17557.2000110.7F90 I123 G129 A130 L131F90-L127 HydrophobicContact CD1-CB 4.38Å; F90-L127 HydrophobicContact CD1-CD2 3.59Å; F90-L127 HydrophobicContact CD1-CG 4.02Å; F90-L127 HydrophobicContact CE1-CD2 3.26Å; F90-L127 HydrophobicContact CE1-CG 4.14Å; F90-L127 HydrophobicContact CZ-CD2 4.2Å; I123-L127 WeakPolarHBondContact O-CB 3.03Å; I123-L127 PolarHBondContact O-N 2.9Å; L127-G129 PolarHBondContact O-N 3.22Å; L127-A130 PolarHBondContact O-N 3.32Å; L127-L131 HydrophobicContact CD1-CD1 3.55Å; L127-L131 HydrophobicContact CG-CD1 3.71Å; L127-L131 WeakPolarHBondContact O-CD1 3.36Å; L127-L131 PolarHBondContact O-N 3.31Å
128S96.3Very high93.7Very high0 Ų035 Ų350%020%0.196CC..Hα-helixtrans-57.8-45.5175.3179.90000112.6S87 S91 F124 F125 L131 C132S87-S128 PolarHBondContact O-OG 3.32Å; S87-S128 PolarHBondContact OG-O 2.92Å; S87-S128 PolarHBondContact OG-OG 3.15Å; S91-S128 WeakPolarHBondContact CB-OG 3.41Å; S91-S128 VanDerWaalsContact OG-CB 3.27Å; S91-S128 WeakPolarHBondContact OG-CB 3.28Å; S91-S128 PolarHBondContact OG-OG 3.26Å; F124-S128 VanDerWaalsContact O-CB 3.27Å; F124-S128 WeakPolarHBondContact O-CB 3.37Å; F124-S128 PolarHBondContact O-N 3.48Å; F125-S128 PolarHBondContact O-N 3.35Å; S128-L131 PolarHBondContact O-N 3.44Å; S128-C132 WeakPolarHBondContact O-CB 3.37Å; S128-C132 PolarHBondContact O-N 2.95Å
129G95.9Very high93.6Very high0 Ų035 Ų350%020%0.196CC..Hα-helixtrans-63.1-41.3176.800000112.6F125 L126 L127 C132 L133F125-G129 PolarHBondContact O-N 3.39Å; L126-G129 PolarHBondContact O-N 2.84Å; L127-G129 PolarHBondContact O-N 3.22Å; G129-C132 PolarHBondContact O-N 3.28Å; G129-L133 PolarHBondContact O-N 2.93Å
130A96.3Very high93.6Very high42 Ų4232.9 Ų32.935%0.34719%0.186SC..Hα-helixtrans-63.6-45.2174.700000112L126 L127 C132 L133 V134L126-A130 WeakPolarHBondContact O-CB 3.37Å; L126-A130 PolarHBondContact O-N 2.87Å; L127-A130 PolarHBondContact O-N 3.32Å; A130-C132 VanDerWaalsContact C-N 3.3Å; A130-C132 PolarHBondContact O-N 3.31Å; A130-L133 PolarHBondContact O-N 3.32Å; A130-V134 WeakPolarHBondContact O-CG2 3.4Å; A130-V134 PolarHBondContact O-N 2.92Å
131L94.6Very high93.5Very high40 Ų4034.8 Ų34.821%0.20919%0.193CC..Hα-helixtrans-60-42.1173.4-87.890.5000111.3I86 L127 S128 V134 T135I86-L131 HydrophobicContact CB-CD2 4.19Å; I86-L131 HydrophobicContact CG2-CD2 3.7Å; L127-L131 HydrophobicContact CD1-CD1 3.55Å; L127-L131 HydrophobicContact CG-CD1 3.71Å; L127-L131 WeakPolarHBondContact O-CD1 3.36Å; L127-L131 PolarHBondContact O-N 3.31Å; S128-L131 PolarHBondContact O-N 3.44Å; L131-V134 PolarHBondContact O-N 3.32Å; L131-T135 WeakPolarHBondContact O-CB 3.11Å; L131-T135 PolarHBondContact O-N 2.79Å; L131-T135 PolarHBondContact O-OG1 3.15Å
132C94.8Very high93.2Very high0 Ų035.7 Ų35.70%020%0.201CC..Hα-helixtrans-62.6-44.8177.9-171.90000111.4N21 S128 G129 A130 V134 T135 V136 A171N21-C132 PolarHBondContact OD1-SG 3.27Å; S128-C132 WeakPolarHBondContact O-CB 3.37Å; S128-C132 PolarHBondContact O-N 2.95Å; G129-C132 PolarHBondContact O-N 3.28Å; A130-C132 VanDerWaalsContact C-N 3.3Å; A130-C132 PolarHBondContact O-N 3.31Å; C132-V134 VanDerWaalsContact C-N 3.34Å; C132-V134 PolarHBondContact O-N 3.07Å; C132-T135 WeakPolarHBondContact O-CB 3.17Å; C132-T135 PolarHBondContact O-N 2.93Å; C132-V136 WeakPolarHBondContact O-CG2 3.44Å; C132-V136 PolarHBondContact O-N 3.45Å; C132-V136 VanDerWaalsContact O-N 3.09Å; C132-A171 HydrophobicContact CB-CB 3.88Å
133L95.1Very high92.9Very high61 Ų6136.1 Ų36.132%0.31920%0.203SC..Hα-helixtrans-57-46.5174.2-82.4-176.4000112G129 A130 T135 V136 S137 A171 L175G129-L133 PolarHBondContact O-N 2.93Å; A130-L133 PolarHBondContact O-N 3.32Å; L133-T135 VanDerWaalsContact C-N 3.33Å; L133-T135 PolarHBondContact O-N 2.82Å; L133-V136 WeakPolarHBondContact O-CG2 3.4Å; L133-V136 PolarHBondContact O-N 2.82Å; L133-S137 WeakPolarHBondContact O-CB 3.48Å; L133-S137 PolarHBondContact O-N 2.93Å; L133-S137 PolarHBondContact O-OG 2.86Å; L133-A171 HydrophobicContact CB-CB 4.41Å; L133-A171 HydrophobicContact CD2-CB 3.62Å; L133-A171 HydrophobicContact CG-CB 3.61Å; L133-L175 HydrophobicContact CD1-CD1 3.55Å; L133-L175 HydrophobicContact CG-CD1 4.33Å
134V93.9Very high92.5Very high65 Ų6535 Ų3539%0.39420%0.197SC..Hα-helixtrans-61.6-44.4177.3174.30000110.5M83 A130 L131 C132 V136 S137 L138M83-V134 HydrophobicContact SD-CG1 3.94Å; A130-V134 WeakPolarHBondContact O-CG2 3.4Å; A130-V134 PolarHBondContact O-N 2.92Å; L131-V134 PolarHBondContact O-N 3.32Å; C132-V134 VanDerWaalsContact C-N 3.34Å; C132-V134 PolarHBondContact O-N 3.07Å; V134-V136 VanDerWaalsContact C-N 3.3Å; V134-V136 PolarHBondContact O-N 3.37Å; V134-S137 WeakPolarHBondContact CA-OG 3.43Å; V134-S137 PolarHBondContact O-N 2.62Å; V134-S137 PolarHBondContact O-OG 2.84Å; V134-L138 HydrophobicContact CG1-CD1 3.85Å; V134-L138 HydrophobicContact CG1-CG 4.18Å; V134-L138 WeakPolarHBondContact O-CG 3.22Å; V134-L138 PolarHBondContact O-N 2.93Å; V134-L138 VanDerWaalsContact O-N 3.11Å
135T92.2Very high92Very high1 Ų138.1 Ų38.11%0.00621%0.21CC..Hα-helixtrans-56.6-41.7-179.7-55.50000112.3W30 A80 M83 I84 L131 C132 L133 P139W30-T135 HydrophobicContact CH2-CG2 3.77Å; W30-T135 HydrophobicContact CZ3-CG2 4.23Å; A80-T135 HydrophobicContact CB-CG2 3.98Å; A80-T135 WeakPolarHBondContact O-CG2 3.45Å; M83-T135 HydrophobicContact CB-CG2 4.23Å; M83-T135 WeakPolarHBondContact CB-OG1 3.4Å; I84-T135 HydrophobicContact CB-CG2 3.87Å; I84-T135 HydrophobicContact CD1-CG2 4.28Å; L131-T135 WeakPolarHBondContact O-CB 3.11Å; L131-T135 PolarHBondContact O-N 2.79Å; L131-T135 PolarHBondContact O-OG1 3.15Å; C132-T135 WeakPolarHBondContact O-CB 3.17Å; C132-T135 PolarHBondContact O-N 2.93Å; L133-T135 VanDerWaalsContact C-N 3.33Å; L133-T135 PolarHBondContact O-N 2.82Å; T135-P139 WeakPolarHBondContact O-CD 3.32Å; T135-P139 VanDerWaalsContact O-CG 3.25Å; T135-P139 WeakPolarHBondContact O-CG 3.4Å
136V92.8Very high91.4Very high0 Ų039.7 Ų39.70%022%0.219CC..Hα-helixtrans-88.9-27.8-178.9-61.90000113.4W30 C132 L133 V134 A140 L164 W168W30-V136 HydrophobicContact CH2-CG1 4.34Å; W30-V136 HydrophobicContact CZ3-CG1 4.32Å; C132-V136 WeakPolarHBondContact O-CG2 3.44Å; C132-V136 PolarHBondContact O-N 3.45Å; C132-V136 VanDerWaalsContact O-N 3.09Å; L133-V136 WeakPolarHBondContact O-CG2 3.4Å; L133-V136 PolarHBondContact O-N 2.82Å; V134-V136 VanDerWaalsContact C-N 3.3Å; V134-V136 PolarHBondContact O-N 3.37Å; V136-A140 VanDerWaalsContact O-CB 3.28Å; V136-A140 WeakPolarHBondContact O-CB 3.39Å; V136-A140 PolarHBondContact O-N 3.24Å; V136-L164 HydrophobicContact CB-CD2 4.03Å; V136-L164 HydrophobicContact CG1-CD2 4.37Å; V136-W168 HydrophobicContact CG2-CG 4.36Å
137S92.1Very high90.7Very high49 Ų4940.9 Ų40.934%0.34322%0.222SC..Hα-helixtrans-76.5-33.5-178.456.40000113.4L133 V134 A140 N141L133-S137 WeakPolarHBondContact O-CB 3.48Å; L133-S137 PolarHBondContact O-N 2.93Å; L133-S137 PolarHBondContact O-OG 2.86Å; V134-S137 WeakPolarHBondContact CA-OG 3.43Å; V134-S137 PolarHBondContact O-N 2.62Å; V134-S137 PolarHBondContact O-OG 2.84Å; S137-A140 PolarHBondContact O-N 2.98Å; S137-N141 VanDerWaalsContact O-CB 3.31Å; S137-N141 WeakPolarHBondContact O-CB 3.17Å; S137-N141 PolarHBondContact O-N 2.65Å
138L90.3Very high90.1Very high80 Ų8045.9 Ų45.942%0.41924%0.237SC..Hα-helixtrans-59.7-57175.6-73176.8000113.1M83 V134 A140 N141 A142M83-L138 HydrophobicContact CE-CD1 4.24Å; M83-L138 HydrophobicContact SD-CD1 4.27Å; V134-L138 HydrophobicContact CG1-CD1 3.85Å; V134-L138 HydrophobicContact CG1-CG 4.18Å; V134-L138 WeakPolarHBondContact O-CG 3.22Å; V134-L138 PolarHBondContact O-N 2.93Å; V134-L138 VanDerWaalsContact O-N 3.11Å; L138-A140 VanDerWaalsContact C-N 3.3Å; L138-A140 PolarHBondContact O-N 3.35Å; L138-N141 PolarHBondContact O-N 2.94Å; L138-A142 PolarHBondContact O-N 3.5Å
139P86.3Confident89.5Confident12 Ų1248.8 Ų48.88%0.07825%0.252CS..Hα-helixtrans-64.6-34.7177.824.9-33.2000111.9W30 T135 A142 I143 L164W30-P139 HydrophobicContact CE3-CG 4.3Å; W30-P139 HydrophobicContact CZ3-CG 4.18Å; T135-P139 WeakPolarHBondContact O-CD 3.32Å; T135-P139 VanDerWaalsContact O-CG 3.25Å; T135-P139 WeakPolarHBondContact O-CG 3.4Å; P139-A142 PolarHBondContact O-N 3.24Å; P139-I143 WeakPolarHBondContact O-CD1 3.42Å; P139-I143 WeakPolarHBondContact O-CG1 3.5Å; P139-I143 PolarHBondContact O-N 2.89Å; P139-L164 HydrophobicContact CG-CD2 4.23Å
140A88.8Confident88.7Confident3 Ų354.8 Ų54.83%0.02529%0.291CS..Hα-helixtrans-60.7-46.2174.400000111.9V136 S137 L138 A142 I143 I144 L160 L164 W168V136-A140 VanDerWaalsContact O-CB 3.28Å; V136-A140 WeakPolarHBondContact O-CB 3.39Å; V136-A140 PolarHBondContact O-N 3.24Å; S137-A140 PolarHBondContact O-N 2.98Å; L138-A140 VanDerWaalsContact C-N 3.3Å; L138-A140 PolarHBondContact O-N 3.35Å; A140-A142 VanDerWaalsContact C-N 3.35Å; A140-A142 PolarHBondContact O-N 3.37Å; A140-I143 PolarHBondContact O-N 3.31Å; A140-I144 WeakPolarHBondContact O-CD1 3.35Å; A140-I144 VanDerWaalsContact O-CG1 3.25Å; A140-I144 WeakPolarHBondContact O-CG1 3.46Å; A140-I144 PolarHBondContact O-N 3.5Å; A140-L160 HydrophobicContact CB-CD2 3.88Å; A140-L164 HydrophobicContact CB-CD1 4.27Å; A140-W168 HydrophobicContact CB-CZ2 4.39Å
141N89.8Confident88Confident76 Ų7660 Ų6041%0.40631%0.313SS..Hα-helixtrans-64-38.9176.9-177.546.1000112.1S137 L138 I144 K145S137-N141 VanDerWaalsContact O-CB 3.31Å; S137-N141 WeakPolarHBondContact O-CB 3.17Å; S137-N141 PolarHBondContact O-N 2.65Å; L138-N141 PolarHBondContact O-N 2.94Å; N141-I144 PolarHBondContact O-N 3.43Å; N141-K145 WeakPolarHBondContact O-CB 3.39Å; N141-K145 VanDerWaalsContact O-CG 3.31Å; N141-K145 WeakPolarHBondContact O-CG 3Å; N141-K145 PolarHBondContact O-N 3.02Å
142A86.6Confident87.1Confident19 Ų1959.9 Ų59.916%0.15731%0.312CS..Hα-helixtrans-62.7-44.4174.800000111.7L138 P139 A140 I144 K145 D146L138-A142 PolarHBondContact O-N 3.5Å; P139-A142 PolarHBondContact O-N 3.24Å; A140-A142 VanDerWaalsContact C-N 3.35Å; A140-A142 PolarHBondContact O-N 3.37Å; A142-I144 PolarHBondContact O-N 3Å; A142-K145 PolarHBondContact O-N 3.12Å; A142-D146 PolarHBondContact O-N 3.08Å
143I85.3Confident86Confident8 Ų863.8 Ų63.84%0.04134%0.337CS..Hα-helixtrans-61.8-43.7176.4-67.5162.5000111.2R31 P139 A140 D146 F147 R158 L160 L164R31-I143 HydrophobicContact CB-CD1 4.17Å; R31-I143 HydrophobicContact CG-CD1 3.88Å; R31-I143 HydrophobicContact CG-CG1 4.27Å; P139-I143 WeakPolarHBondContact O-CD1 3.42Å; P139-I143 WeakPolarHBondContact O-CG1 3.5Å; P139-I143 PolarHBondContact O-N 2.89Å; A140-I143 PolarHBondContact O-N 3.31Å; I143-D146 WeakPolarHBondContact O-CB 3.17Å; I143-D146 PolarHBondContact O-N 3.39Å; I143-F147 PolarHBondContact O-N 2.94Å; I143-R158 HydrophobicContact CG2-CB 4.14Å; I143-R158 VanDerWaalsContact CG2-O 3.3Å; I143-R158 WeakPolarHBondContact CG2-O 3.18Å; I143-L160 HydrophobicContact CB-CD2 4.22Å; I143-L160 HydrophobicContact CD1-CD2 4.19Å; I143-L160 HydrophobicContact CG2-CD2 4.13Å; I143-L160 HydrophobicContact CG2-CG 4.44Å; I143-L164 HydrophobicContact CD1-CD1 4.2Å
144I87.2Confident84.6Confident74 Ų7466.3 Ų66.338%0.37935%0.351SS..Hα-helixtrans-63.8-44178.1-67163.9000110.5A140 N141 A142 D146 F147 Y148A140-I144 WeakPolarHBondContact O-CD1 3.35Å; A140-I144 VanDerWaalsContact O-CG1 3.25Å; A140-I144 WeakPolarHBondContact O-CG1 3.46Å; A140-I144 PolarHBondContact O-N 3.5Å; N141-I144 PolarHBondContact O-N 3.43Å; A142-I144 PolarHBondContact O-N 3Å; I144-D146 VanDerWaalsContact C-N 3.33Å; I144-D146 PolarHBondContact O-N 2.83Å; I144-F147 WeakPolarHBondContact O-CB 3.47Å; I144-F147 PolarHBondContact O-N 3.26Å; I144-F147 VanDerWaalsContact O-N 3.15Å; I144-Y148 HydrophobicContact CG2-CD2 4.05Å; I144-Y148 HydrophobicContact CG2-CE2 3.89Å; I144-Y148 VanDerWaalsContact O-CD2 3.25Å; I144-Y148 WeakPolarHBondContact O-CD2 3.47Å; I144-Y148 PolarHBondContact O-N 3.31Å
145K86.1Confident83.1Confident134 Ų13464.7 Ų64.758%0.58335%0.345SS*.Hα-helixtrans-61.3-41.4176.1-75.9176.2179.1-179.10112.3N141 A142 F147 Y148 N149N141-K145 WeakPolarHBondContact O-CB 3.39Å; N141-K145 VanDerWaalsContact O-CG 3.31Å; N141-K145 WeakPolarHBondContact O-CG 3Å; N141-K145 PolarHBondContact O-N 3.02Å; A142-K145 PolarHBondContact O-N 3.12Å; K145-F147 VanDerWaalsContact C-N 3.28Å; K145-F147 PolarHBondContact O-N 2.89Å; K145-Y148 PolarHBondContact O-N 2.77Å; K145-N149 PolarHBondContact O-N 3.11Å
146D83.3Confident81.9Confident36 Ų3668.8 Ų68.819%0.19336%0.364CS..Hα-helixtrans-60.1-40.8174.4-77.2-13.1000111.1R31 A142 I143 I144 Y148 N149 I152 R158R31-D146 IonicContact NH2-OD2 3.43Å; R31-D146 PolarHBondContact NH2-OD2 2.96Å; A142-D146 PolarHBondContact O-N 3.08Å; I143-D146 WeakPolarHBondContact O-CB 3.17Å; I143-D146 PolarHBondContact O-N 3.39Å; I144-D146 VanDerWaalsContact C-N 3.33Å; I144-D146 PolarHBondContact O-N 2.83Å; D146-Y148 VanDerWaalsContact C-N 3.27Å; D146-Y148 PolarHBondContact O-N 2.64Å; D146-N149 PolarHBondContact O-N 3.43Å; D146-N149 VanDerWaalsContact O-N 3.15Å; D146-I152 HydrophobicContact CB-CD1 3.76Å; D146-R158 IonicContact OD2-CZ 2.82Å; D146-R158 IonicContact OD2-NH1 3.72Å; D146-R158 PolarHBondContact OD2-NH1 3.43Å
147F81.4Confident80.9Confident81 Ų8173.1 Ų73.136%0.35538%0.38SS..Hα-helixtrans-63.1-30.3-179-167.2-91.9000113.9I143 I144 K145 R157I143-F147 PolarHBondContact O-N 2.94Å; I144-F147 WeakPolarHBondContact O-CB 3.47Å; I144-F147 PolarHBondContact O-N 3.26Å; I144-F147 VanDerWaalsContact O-N 3.15Å; K145-F147 VanDerWaalsContact C-N 3.28Å; K145-F147 PolarHBondContact O-N 2.89Å; F147-R157 HydrophobicContact CD2-CB 4.24Å; F147-R157 HydrophobicContact CD2-CG 4.19Å; F147-R157 HydrophobicContact CE2-CB 4.38Å; F147-R157 HydrophobicContact CE2-CG 4.35Å
148Y83.2Confident80.2Confident182 Ų18274 Ų7471%0.71438%0.375SS*.THydrogen-bonded Turntrans-95.40.7177.9-70.3-74.6000113.7I144 K145 D146 P150I144-Y148 HydrophobicContact CG2-CD2 4.05Å; I144-Y148 HydrophobicContact CG2-CE2 3.89Å; I144-Y148 VanDerWaalsContact O-CD2 3.25Å; I144-Y148 WeakPolarHBondContact O-CD2 3.47Å; I144-Y148 PolarHBondContact O-N 3.31Å; K145-Y148 PolarHBondContact O-N 2.77Å; D146-Y148 VanDerWaalsContact C-N 3.27Å; D146-Y148 PolarHBondContact O-N 2.64Å; Y148-P150 WeakPolarHBondContact O-CD 3.38Å
149N83Confident80Confident62 Ų6275.6 Ų75.633%0.33238%0.381SS..  trans-83.6115.9-177.9-170.7-15.4000110.8K145 D146 L151 I152K145-N149 PolarHBondContact O-N 3.11Å; D146-N149 PolarHBondContact O-N 3.43Å; D146-N149 VanDerWaalsContact O-N 3.15Å; N149-L151 PolarHBondContact O-N 2.86Å; N149-L151 VanDerWaalsContact O-N 3.09Å; N149-L151 WeakPolarHBondContact OD1-CB 3.36Å; N149-L151 PolarHBondContact OD1-N 2.91Å; N149-L151 VanDerWaalsContact OD1-N 3.12Å; N149-I152 HydrophobicContact CB-CD1 4.1Å; N149-I152 HydrophobicContact CB-CG1 4.14Å; N149-I152 PolarHBondContact O-N 3.26Å; N149-I152 VanDerWaalsContact O-N 3.16Å
150P80.1Confident79.9Confident126 Ų12677.4 Ų77.482%0.81839%0.39SS*.THydrogen-bonded Turntrans-68-10.9-17729.6-36.9000113.7Y148 I152Y148-P150 WeakPolarHBondContact O-CD 3.38Å; P150-I152 VanDerWaalsContact C-N 3.3Å
151L81.6Confident79.9Confident152 Ų15277.2 Ų77.280%0.79639%0.388SS*.THydrogen-bonded Turntrans-80.1-11.4177.2-62.3167.9000113N149N149-L151 PolarHBondContact O-N 2.86Å; N149-L151 VanDerWaalsContact O-N 3.09Å; N149-L151 WeakPolarHBondContact OD1-CB 3.36Å; N149-L151 PolarHBondContact OD1-N 2.91Å; N149-L151 VanDerWaalsContact OD1-N 3.12Å
152I74.5Confident79.8Confident37 Ų3776.2 Ų76.219%0.1939%0.391CS..SBendtrans-98.5121-177.2-56.2-175.8000109D146 N149 P150 Q156D146-I152 HydrophobicContact CB-CD1 3.76Å; N149-I152 HydrophobicContact CB-CD1 4.1Å; N149-I152 HydrophobicContact CB-CG1 4.14Å; N149-I152 PolarHBondContact O-N 3.26Å; N149-I152 VanDerWaalsContact O-N 3.16Å; P150-I152 VanDerWaalsContact C-N 3.3Å; I152-Q156 HydrophobicContact CG2-CB 4.11Å
153P71.9Confident80Confident82 Ų8275.4 Ų75.453%0.53238%0.384SS..  trans-59.3144.5175.5-20.831.2000111.5A155 Q156P153-A155 PolarHBondContact O-N 3.42Å; P153-Q156 PolarHBondContact O-N 3.26Å
154D66.4Low80.3Confident113 Ų11375.2 Ų75.260%0.60438%0.383SS*.G310 helixtrans-55.6-31.4-179.4-69.5-47.6000113Q156 R157D154-Q156 PolarHBondContact O-N 3.09Å; D154-R157 PolarHBondContact O-N 3.3Å; D154-R157 IonicContact OD1-CZ 3.06Å; D154-R157 IonicContact OD1-NE 3.16Å; D154-R157 PolarHBondContact OD1-NE 3.09Å; D154-R157 IonicContact OD1-NH2 2.69Å; D154-R157 PolarHBondContact OD1-NH2 3.29Å
155A63Low80.5Confident32 Ų3277.9 Ų77.926%0.26439%0.389SS..G310 helixtrans-67.5-9.4176.600000114.7F35 P153F35-A155 WeakPolarHBondContact CD1-O 3.29Å; P153-A155 PolarHBondContact O-N 3.42Å
156Q66.5Low80.9Confident87 Ų8774.4 Ų74.441%0.40738%0.379SS..G310 helixtrans-118.314.1179.3-160.4173.6-23.900112.2F35 I152 P153 D154 R158F35-Q156 HydrophobicContact CE1-CB 4.49Å; F35-Q156 HydrophobicContact CE1-CG 4.06Å; F35-Q156 HydrophobicContact CZ-CG 4.42Å; I152-Q156 HydrophobicContact CG2-CB 4.11Å; P153-Q156 PolarHBondContact O-N 3.26Å; D154-Q156 PolarHBondContact O-N 3.09Å; Q156-R158 PolarHBondContact O-N 3.43Å
157R71.6Confident81.4Confident91 Ų9172.7 Ų72.734%0.34337%0.37SS..  trans-61.8132174.3-78.1179.4-173.5-130.68.4110.2F147 D154F147-R157 HydrophobicContact CD2-CB 4.24Å; F147-R157 HydrophobicContact CD2-CG 4.19Å; F147-R157 HydrophobicContact CE2-CB 4.38Å; F147-R157 HydrophobicContact CE2-CG 4.35Å; D154-R157 PolarHBondContact O-N 3.3Å; D154-R157 IonicContact OD1-CZ 3.06Å; D154-R157 IonicContact OD1-NE 3.16Å; D154-R157 PolarHBondContact OD1-NE 3.09Å; D154-R157 IonicContact OD1-NH2 2.69Å; D154-R157 PolarHBondContact OD1-NH2 3.29Å
158R78.3Confident82.2Confident66 Ų6674 Ų7425%0.24937%0.372CS..EExtended strand (participates in β ladder)trans-98.3135.8179.6-68.9131.7152.3-159.76.8108.6R31 S33 I143 D146 Q156R31-R158 HydrophobicContact CG-CB 4.31Å; R31-R158 VanDerWaalsContact NE-CG 3.25Å; S33-R158 VanDerWaalsContact OG-CG 3.28Å; S33-R158 WeakPolarHBondContact OG-CG 3.46Å; I143-R158 HydrophobicContact CG2-CB 4.14Å; I143-R158 VanDerWaalsContact CG2-O 3.3Å; I143-R158 WeakPolarHBondContact CG2-O 3.18Å; D146-R158 IonicContact OD2-CZ 2.82Å; D146-R158 IonicContact OD2-NH1 3.72Å; D146-R158 PolarHBondContact OD2-NH1 3.43Å; Q156-R158 PolarHBondContact O-N 3.43Å
159E84.6Confident82.8Confident114 Ų11467.2 Ų67.253%0.53336%0.358SS..EExtended strand (participates in β ladder)trans-108155178-63.6-174.7168.200110.9V32 G161V32-E159 HydrophobicContact CB-CB 4.35Å; V32-E159 PolarHBondContact N-O 3.3Å; V32-E159 VanDerWaalsContact N-O 3.09Å; V32-E159 PolarHBondContact O-N 2.78Å; E159-G161 PolarHBondContact O-N 2.9Å
160L85.4Confident83.4Confident50 Ų5064.5 Ų64.526%0.26234%0.344SS..EExtended strand (participates in β ladder)trans-70.3124.1176.9-64.9167.8000109.4A140 I143 L164 Y165A140-L160 HydrophobicContact CB-CD2 3.88Å; I143-L160 HydrophobicContact CB-CD2 4.22Å; I143-L160 HydrophobicContact CD1-CD2 4.19Å; I143-L160 HydrophobicContact CG2-CD2 4.13Å; I143-L160 HydrophobicContact CG2-CG 4.44Å; L160-L164 HydrophobicContact CB-CD1 4.2Å; L160-L164 HydrophobicContact CD2-CD1 3.6Å; L160-Y165 HydrophobicContact CB-CE2 4.43Å
161G87.4Confident84.1Confident0 Ų058.5 Ų58.50%031%0.305CS..  trans-76.2154.917700000113.1L29 W30 E159 C163 L164L29-G161 CarbonylContact O-C 3.18Å; L29-G161 WeakPolarHBondContact O-CA 2.97Å; W30-G161 PolarHBondContact O-N 3.01Å; E159-G161 PolarHBondContact O-N 2.9Å; G161-C163 PolarHBondContact O-N 3.27Å; G161-C163 VanDerWaalsContact O-N 3.15Å; G161-L164 WeakPolarHBondContact O-CB 3.25Å; G161-L164 PolarHBondContact O-N 3.48Å; G161-L164 VanDerWaalsContact O-N 3.09Å
162A89.5Confident84.8Confident55 Ų5552.5 Ų52.546%0.45528%0.28SS..Hα-helixtrans-56.2-31.6-179.200000113.4L29 L164 Y165 V166L29-A162 PolarHBondContact O-N 3.01Å; A162-L164 VanDerWaalsContact C-N 3.26Å; A162-L164 PolarHBondContact O-N 3.05Å; A162-Y165 PolarHBondContact O-N 3.22Å; A162-V166 PolarHBondContact O-N 3.47Å
163C90.2Very high85.9Confident2 Ų253.3 Ų53.31%0.01428%0.284CS..Hα-helixtrans-62.4-30.2179-72.60000113.6I24 L27 L29 W30 G161 Y165 V166 G167I24-C163 HydrophobicContact CG2-CB 4.32Å; L27-C163 WeakPolarHBondContact CB-SG 3.44Å; L29-C163 HydrophobicContact CB-CB 4.43Å; L29-C163 WeakPolarHBondContact CB-SG 3.35Å; L29-C163 VanDerWaalsContact O-CB 3.23Å; L29-C163 WeakPolarHBondContact O-CB 3.34Å; L29-C163 PolarHBondContact O-N 2.97Å; W30-C163 HydrophobicContact CG-CB 4.46Å; G161-C163 PolarHBondContact O-N 3.27Å; G161-C163 VanDerWaalsContact O-N 3.15Å; C163-Y165 VanDerWaalsContact C-N 3.33Å; C163-Y165 PolarHBondContact O-N 3.25Å; C163-V166 PolarHBondContact O-N 3.3Å; C163-G167 PolarHBondContact O-N 2.88Å
164L90.5Very high87Confident3 Ų349.4 Ų49.42%0.01626%0.259CS..Hα-helixtrans-65.3-40.2-179.4-64.8174.1000111W30 V136 P139 A140 I143 L160 G161 A162 G167 W168W30-L164 HydrophobicContact CE3-CD2 3.98Å; W30-L164 HydrophobicContact CZ3-CD2 4.39Å; W30-L164 WeakPolarHBondContact O-CD1 3.43Å; V136-L164 HydrophobicContact CB-CD2 4.03Å; V136-L164 HydrophobicContact CG1-CD2 4.37Å; P139-L164 HydrophobicContact CG-CD2 4.23Å; A140-L164 HydrophobicContact CB-CD1 4.27Å; I143-L164 HydrophobicContact CD1-CD1 4.2Å; L160-L164 HydrophobicContact CB-CD1 4.2Å; L160-L164 HydrophobicContact CD2-CD1 3.6Å; G161-L164 WeakPolarHBondContact O-CB 3.25Å; G161-L164 PolarHBondContact O-N 3.48Å; G161-L164 VanDerWaalsContact O-N 3.09Å; A162-L164 VanDerWaalsContact C-N 3.26Å; A162-L164 PolarHBondContact O-N 3.05Å; L164-G167 PolarHBondContact O-N 2.82Å; L164-W168 PolarHBondContact O-N 3.49Å
165Y92.9Very high88.4Confident130 Ų13046.3 Ų46.351%0.5124%0.242SC..Hα-helixtrans-66.3-43.9175.6-59.2-71.3000111.9L160 A162 C163 G167 W168 G169L160-Y165 HydrophobicContact CB-CE2 4.43Å; A162-Y165 PolarHBondContact O-N 3.22Å; C163-Y165 VanDerWaalsContact C-N 3.33Å; C163-Y165 PolarHBondContact O-N 3.25Å; Y165-G167 PolarHBondContact O-N 3.43Å; Y165-W168 HydrophobicContact CD1-CE3 4.33Å; Y165-W168 HydrophobicContact CD1-CZ3 4.31Å; Y165-W168 HydrophobicContact CE1-CZ3 4.37Å; Y165-W168 PolarHBondContact O-N 3.09Å; Y165-G169 PolarHBondContact O-N 2.97Å; Y165-G169 VanDerWaalsContact O-N 3.07Å
166V94.1Very high90Very high62 Ų6249.3 Ų49.338%0.37625%0.253SS..Hα-helixtrans-59.5-36.6174.1-179.90000110.3L23 I24 A162 C163 G169 A170L23-V166 HydrophobicContact CD2-CG1 4.37Å; I24-V166 HydrophobicContact CD1-CG1 4.16Å; I24-V166 HydrophobicContact CG1-CB 4.16Å; I24-V166 HydrophobicContact CG1-CG1 3.9Å; A162-V166 PolarHBondContact O-N 3.47Å; C163-V166 PolarHBondContact O-N 3.3Å; V166-G169 PolarHBondContact O-N 2.81Å; V166-A170 WeakPolarHBondContact O-CB 3.28Å; V166-A170 PolarHBondContact O-N 2.99Å
167G94.4Very high91.3Very high0 Ų045.1 Ų45.10%023%0.233CC..Hα-helixtrans-70.5-35.8177.100000116.3C163 L164 Y165 G169 A171C163-G167 PolarHBondContact O-N 2.88Å; L164-G167 PolarHBondContact O-N 2.82Å; Y165-G167 PolarHBondContact O-N 3.43Å; G167-G169 VanDerWaalsContact C-N 3.31Å; G167-A171 WeakPolarHBondContact O-CB 3.37Å; G167-A171 PolarHBondContact O-N 3.18Å
168W96.2Very high92.3Very high108 Ų10840.8 Ų40.841%0.40922%0.217SC..Hα-helixtrans-63.9-40.7167.6-70.5-21.4000111.7V136 A140 L164 Y165 G172V136-W168 HydrophobicContact CG2-CG 4.36Å; A140-W168 HydrophobicContact CB-CZ2 4.39Å; L164-W168 PolarHBondContact O-N 3.49Å; Y165-W168 HydrophobicContact CD1-CE3 4.33Å; Y165-W168 HydrophobicContact CD1-CZ3 4.31Å; Y165-W168 HydrophobicContact CE1-CZ3 4.37Å; Y165-W168 PolarHBondContact O-N 3.09Å; W168-G172 PolarHBondContact O-N 3.19Å
169G96Very high93Very high40 Ų4039.5 Ų39.541%0.41222%0.22SC..Hα-helixtrans-60.1-52.1173.900000112.4Y165 V166 G167 A171 G172 L173Y165-G169 PolarHBondContact O-N 2.97Å; Y165-G169 VanDerWaalsContact O-N 3.07Å; V166-G169 PolarHBondContact O-N 2.81Å; G167-G169 VanDerWaalsContact C-N 3.31Å; G169-A171 PolarHBondContact O-N 3.31Å; G169-G172 PolarHBondContact O-N 3.09Å; G169-L173 VanDerWaalsContact O-CG 3.28Å; G169-L173 WeakPolarHBondContact O-CG 3.28Å; G169-L173 PolarHBondContact O-N 3.4Å
170A95.6Very high93.3Very high5 Ų535.9 Ų35.94%0.04121%0.205CC..Hα-helixtrans-59.8-45179.700000112I24 V166 L173 L174I24-A170 HydrophobicContact CD1-CB 3.89Å; V166-A170 WeakPolarHBondContact O-CB 3.28Å; V166-A170 PolarHBondContact O-N 2.99Å; A170-L173 PolarHBondContact O-N 3.43Å; A170-L174 WeakPolarHBondContact O-CG 3.41Å; A170-L174 PolarHBondContact O-N 2.78Å
171A96.2Very high93.5Very high0 Ų033.6 Ų33.60%019%0.193CC..Hα-helixtrans-67-39.4178.500000112.2C132 L133 G167 G169 L174 L175C132-A171 HydrophobicContact CB-CB 3.88Å; L133-A171 HydrophobicContact CB-CB 4.41Å; L133-A171 HydrophobicContact CD2-CB 3.62Å; L133-A171 HydrophobicContact CG-CB 3.61Å; G167-A171 WeakPolarHBondContact O-CB 3.37Å; G167-A171 PolarHBondContact O-N 3.18Å; G169-A171 PolarHBondContact O-N 3.31Å; A171-L174 PolarHBondContact O-N 3.11Å; A171-L175 WeakPolarHBondContact O-CB 3.31Å; A171-L175 VanDerWaalsContact O-CG 3.28Å; A171-L175 WeakPolarHBondContact O-CG 3.21Å; A171-L175 PolarHBondContact O-N 2.68Å
172G96.3Very high93.5Very high26 Ų2634.9 Ų34.927%0.26820%0.201SC..Hα-helixtrans-60.5-44.3172.900000112.3W168 G169 L175 I176W168-G172 PolarHBondContact O-N 3.19Å; G169-G172 PolarHBondContact O-N 3.09Å; G172-L175 PolarHBondContact O-N 2.9Å; G172-I176 WeakPolarHBondContact O-CB 3.19Å; G172-I176 VanDerWaalsContact O-CG1 3.24Å; G172-I176 WeakPolarHBondContact O-CG1 3.44Å; G172-I176 PolarHBondContact O-N 3.33Å
173L96Very high93.1Very high53 Ų5336.9 Ų36.928%0.27721%0.211SC..Hα-helixtrans-62.3-42.8176.1-69.3168.7000112.2L13 I16 G169 A170 G177L13-L173 HydrophobicContact CD2-CD2 3.66Å; I16-L173 HydrophobicContact CG2-CD1 3.81Å; G169-L173 VanDerWaalsContact O-CG 3.28Å; G169-L173 WeakPolarHBondContact O-CG 3.28Å; G169-L173 PolarHBondContact O-N 3.4Å; A170-L173 PolarHBondContact O-N 3.43Å; L173-G177 PolarHBondContact O-N 3.47Å
174L95.9Very high92.2Very high0 Ų038 Ų380%022%0.216CC..Hα-helixtrans-62.9-42.9175.2-75.5171000112.2A14 N21 S91 F125 A170 A171 G178A14-L174 WeakPolarHBondContact O-CD2 3.34Å; N21-L174 VanDerWaalsContact ND2-CD1 3.29Å; N21-L174 WeakPolarHBondContact ND2-CD1 3.42Å; S91-L174 WeakPolarHBondContact OG-CD2 3.25Å; F125-L174 HydrophobicContact CD1-CD2 3.93Å; F125-L174 HydrophobicContact CE1-CD2 4.45Å; A170-L174 WeakPolarHBondContact O-CG 3.41Å; A170-L174 PolarHBondContact O-N 2.78Å; A171-L174 PolarHBondContact O-N 3.11Å; L174-G178 PolarHBondContact O-N 3.2Å
175L96.6Very high90.7Very high49 Ų4940.6 Ų40.626%0.25723%0.234SC..Hα-helixtrans-66.1-45.2178.9-73174000111.9L126 L133 A171 G172 G178 A179L126-L175 HydrophobicContact CD2-CD2 3.93Å; L126-L175 WeakPolarHBondContact CD2-O 3.3Å; L126-L175 WeakPolarHBondContact O-CD2 3.41Å; L133-L175 HydrophobicContact CD1-CD1 3.55Å; L133-L175 HydrophobicContact CG-CD1 4.33Å; A171-L175 WeakPolarHBondContact O-CB 3.31Å; A171-L175 VanDerWaalsContact O-CG 3.28Å; A171-L175 WeakPolarHBondContact O-CG 3.21Å; A171-L175 PolarHBondContact O-N 2.68Å; G172-L175 PolarHBondContact O-N 2.9Å; L175-G178 PolarHBondContact O-N 3.24Å; L175-A179 VanDerWaalsContact O-CB 3.24Å; L175-A179 WeakPolarHBondContact O-CB 3.31Å; L175-A179 PolarHBondContact O-N 3.06Å
176I95.7Very high88.8Confident94 Ų9438.5 Ų38.548%0.48224%0.236SC..Hα-helixtrans-65.3-46.4177.4-64.9166000109.8L13 G172 G178 A179 L180L13-I176 HydrophobicContact CD1-CG2 3.91Å; G172-I176 WeakPolarHBondContact O-CB 3.19Å; G172-I176 VanDerWaalsContact O-CG1 3.24Å; G172-I176 WeakPolarHBondContact O-CG1 3.44Å; G172-I176 PolarHBondContact O-N 3.33Å; I176-G178 PolarHBondContact O-N 3.26Å; I176-A179 PolarHBondContact O-N 3Å; I176-L180 HydrophobicContact CG2-CD1 4.07Å; I176-L180 HydrophobicContact CG2-CG 4.31Å; I176-L180 WeakPolarHBondContact O-CB 3.49Å; I176-L180 VanDerWaalsContact O-CG 3.25Å; I176-L180 WeakPolarHBondContact O-CG 3.48Å; I176-L180 PolarHBondContact O-N 2.91Å
177G93.4Very high86.4Confident0 Ų041 Ų410%026%0.256CS..Hα-helixtrans-58.7-46.2177.100000112.5G10 L173 L180 L181G10-G177 WeakPolarHBondContact O-CA 3.32Å; L173-G177 PolarHBondContact O-N 3.47Å; G177-L180 PolarHBondContact O-N 3.15Å; G177-L181 WeakPolarHBondContact O-CG 3.25Å; G177-L181 PolarHBondContact O-N 3Å; G177-L181 VanDerWaalsContact O-N 3.14Å
178G93.4Very high84Confident0 Ų044.1 Ų44.10%029%0.289CS..Hα-helixtrans-64.2-44.1176.100000113.2L174 L175 I176 L180 L181 C182L174-G178 PolarHBondContact O-N 3.2Å; L175-G178 PolarHBondContact O-N 3.24Å; I176-G178 PolarHBondContact O-N 3.26Å; G178-L180 PolarHBondContact O-N 3.32Å; G178-L181 PolarHBondContact O-N 3.3Å; G178-C182 PolarHBondContact O-N 3.32Å; G178-C182 PolarHBondContact O-SG 3.42Å; G178-C182 VanDerWaalsContact O-SG 3.37Å
179A93.2Very high81.1Confident38 Ų3850.2 Ų50.231%0.31431%0.312SS..Hα-helixtrans-61.7-44.6176.400000111.7L126 L175 I176 L181 C182 C183L126-A179 HydrophobicContact CD2-CB 4.29Å; L175-A179 VanDerWaalsContact O-CB 3.24Å; L175-A179 WeakPolarHBondContact O-CB 3.31Å; L175-A179 PolarHBondContact O-N 3.06Å; I176-A179 PolarHBondContact O-N 3Å; A179-L181 VanDerWaalsContact C-N 3.25Å; A179-L181 PolarHBondContact O-N 2.94Å; A179-C182 PolarHBondContact O-N 3.02Å; A179-C183 WeakPolarHBondContact O-CB 3.46Å; A179-C183 PolarHBondContact O-N 3.13Å; A179-C183 PolarHBondContact O-SG 3.35Å
180L91.4Very high78.5Confident39 Ų3955.3 Ų55.320%0.20433%0.325CS..Hα-helixtrans-61.4-32.9176.9-73.4179.8000112.8L6 L9 L13 I176 G177 G178 Q184L6-L180 HydrophobicContact CD1-CD2 3.8Å; L6-L180 HydrophobicContact CG-CD2 4.29Å; L9-L180 HydrophobicContact CD2-CD1 4.25Å; L9-L180 HydrophobicContact CG-CD1 4.29Å; L13-L180 HydrophobicContact CD1-CD1 3.9Å; I176-L180 HydrophobicContact CG2-CD1 4.07Å; I176-L180 HydrophobicContact CG2-CG 4.31Å; I176-L180 WeakPolarHBondContact O-CB 3.49Å; I176-L180 VanDerWaalsContact O-CG 3.25Å; I176-L180 WeakPolarHBondContact O-CG 3.48Å; I176-L180 PolarHBondContact O-N 2.91Å; G177-L180 PolarHBondContact O-N 3.15Å; G178-L180 PolarHBondContact O-N 3.32Å; L180-Q184 WeakPolarHBondContact O-CG 3.4Å; L180-Q184 PolarHBondContact O-NE2 2.96Å
181L87.9Confident75.9Confident2 Ų263.4 Ų63.41%0.0136%0.361CS..Hα-helixtrans-74.6-38.8174.7-70.4169000112.1Q7 V11 F125 G177 G178 A179 Q184Q7-L181 HydrophobicContact CG-CD2 4.26Å; V11-L181 HydrophobicContact CG2-CD2 4.12Å; F125-L181 HydrophobicContact CD2-CD1 3.76Å; F125-L181 HydrophobicContact CE2-CD1 3.9Å; G177-L181 WeakPolarHBondContact O-CG 3.25Å; G177-L181 PolarHBondContact O-N 3Å; G177-L181 VanDerWaalsContact O-N 3.14Å; G178-L181 PolarHBondContact O-N 3.3Å; A179-L181 VanDerWaalsContact C-N 3.25Å; A179-L181 PolarHBondContact O-N 2.94Å; L181-Q184 PolarHBondContact O-N 3.48Å
182C87.4Confident73.2Confident27 Ų2772.1 Ų72.118%0.18240%0.395CS..Hα-helixtrans-67.5-37.3175-71.40000112.9G122 G178 A179 Q184 C185G122-C182 VanDerWaalsContact C-SG 3.54Å; G178-C182 PolarHBondContact O-N 3.32Å; G178-C182 PolarHBondContact O-SG 3.42Å; G178-C182 VanDerWaalsContact O-SG 3.37Å; A179-C182 PolarHBondContact O-N 3.02Å; C182-Q184 PolarHBondContact O-N 3.26Å; C182-C185 PolarHBondContact O-SG 2.94Å
183C82.1Confident70.8Confident97 Ų9777.5 Ų77.566%0.65542%0.418SS*.THydrogen-bonded Turntrans-71.7-3.8-179.9-68.40000114A179 C185A179-C183 WeakPolarHBondContact O-CB 3.46Å; A179-C183 PolarHBondContact O-N 3.13Å; A179-C183 PolarHBondContact O-SG 3.35Å; C183-C185 PolarHBondContact O-N 2.69Å
184Q71.1Confident68.2Low25 Ų2577.6 Ų77.612%0.11743%0.432CS..THydrogen-bonded Turntrans-78.8-0.3178.5-51.4-160.1-3.400114.1A2 L6 L180 L181 C182 P186A2-Q184 HydrophobicContact CB-CB 3.87Å; A2-Q184 HydrophobicContact CB-CG 3.94Å; L6-Q184 VanDerWaalsContact C-NE2 3.31Å; L6-Q184 PolarHBondContact O-NE2 3.42Å; L180-Q184 WeakPolarHBondContact O-CG 3.4Å; L180-Q184 PolarHBondContact O-NE2 2.96Å; L181-Q184 PolarHBondContact O-N 3.48Å; C182-Q184 PolarHBondContact O-N 3.26Å; Q184-P186 VanDerWaalsContact O-N 3.17Å
185C58.6Low66.1Low58 Ų5882.7 Ų82.739%0.39246%0.463SS..SBendtrans-44.9124.7170.5-770000109.6I119 C182 C183 S187I119-C185 WeakPolarHBondContact CD1-SG 3.28Å; C182-C185 PolarHBondContact O-SG 2.94Å; C183-C185 PolarHBondContact O-N 2.69Å; C185-S187 VanDerWaalsContact C-N 3.33Å; C185-S187 PolarHBondContact O-N 3.06Å
186P54.3Low63.7Low86 Ų8689.8 Ų89.856%0.55849%0.492SS*.  trans-57.4112.7153.625.3-27.4000104.2Q184 G188Q184-P186 VanDerWaalsContact O-N 3.17Å; P186-G188 PolarHBondContact O-N 2.84Å
187S42.5Very low61.8Low113 Ų11395.4 Ų95.479%0.7951%0.508SS*.  trans-44.8118.3170-51.70000105.5C185 R189C185-S187 VanDerWaalsContact C-N 3.33Å; C185-S187 PolarHBondContact O-N 3.06Å; S187-R189 PolarHBondContact O-N 3.27Å
188G44.5Very low60.2Low67 Ų67101.7 Ų101.769%0.69155%0.546SS*.  trans-54.499.4161.300000105.3P186 E190P186-G188 PolarHBondContact O-N 2.84Å; G188-E190 PolarHBondContact O-N 2.87Å
189R35.6Very low58.7Low236 Ų236105.5 Ų105.589%0.89158%0.578SS**  -51.8101.8122.2-80-173.2174.2175.9-1.3102.3S187 H191S187-R189 PolarHBondContact O-N 3.27Å; R189-H191 VanDerWaalsContact C-N 3.32Å; R189-H191 PolarHBondContact O-N 3.18Å
190E40.1Very low56.8Low147 Ų147109.6 Ų109.669%0.68760%0.601SS**  trans-35.7113157.1-70.8177131.200105G188 Y192G188-E190 PolarHBondContact O-N 2.87Å; E190-Y192 HydrophobicContact CB-CD2 4.01Å; E190-Y192 PolarHBondContact O-N 3.15Å; E190-Y192 WeakPolarHBondContact OE2-CD2 3.25Å; E190-Y192 WeakPolarHBondContact OE2-CE2 3.38Å
191H42.1Very low55Low174 Ų174117.2 Ų117.281%0.80663%0.633SS**  trans-64.179.4146.7-112.7-82.1000103.1R189 N193R189-H191 VanDerWaalsContact C-N 3.32Å; R189-H191 PolarHBondContact O-N 3.18Å; H191-N193 PolarHBondContact O-N 2.92Å
192Y39.3Very low53.3Low183 Ų183122.3 Ų122.372%0.71867%0.668SS**  trans-50.699.4146.3-113.6-90.3000102E190 G194E190-Y192 HydrophobicContact CB-CD2 4.01Å; E190-Y192 PolarHBondContact O-N 3.15Å; E190-Y192 WeakPolarHBondContact OE2-CD2 3.25Å; E190-Y192 WeakPolarHBondContact OE2-CE2 3.38Å; Y192-G194 PolarHBondContact O-N 3.28Å
193N45.5Very low51.7Low140 Ų140127.3 Ų127.375%0.74970%0.698SS**  trans-6467154.7-77.8-23.7000105.5H191 V195H191-N193 PolarHBondContact O-N 2.92Å; N193-V195 VanDerWaalsContact C-N 3.25Å; N193-V195 PolarHBondContact O-N 3.26Å
194G41Very low50.2Low55 Ų55128.4 Ų128.457%0.56770%0.702SS**  trans-64.299.8160.500000104.3Y192 K196Y192-G194 PolarHBondContact O-N 3.28Å; G194-K196 PolarHBondContact O-N 3.46Å; G194-K196 VanDerWaalsContact O-N 3.11Å
195V52.8Low49.2Very low107 Ų107132.5 Ų132.565%0.64873%0.731SS**  trans-26115.1170.2177.90000109.5N193 Y197N193-V195 VanDerWaalsContact C-N 3.25Å; N193-V195 PolarHBondContact O-N 3.26Å; V195-Y197 HydrophobicContact CB-CE2 4.45Å; V195-Y197 HydrophobicContact CG1-CD2 4.31Å; V195-Y197 HydrophobicContact CG1-CE2 4.32Å; V195-Y197 PolarHBondContact O-N 3.44Å
196K46.3Very low48.7Very low198 Ų198133.4 Ų133.486%0.86175%0.75SS**  trans-63.193.5168.1-77.6-176.7178.6178.90106.9G194 T198G194-K196 PolarHBondContact O-N 3.46Å; G194-K196 VanDerWaalsContact O-N 3.11Å; K196-T198 PolarHBondContact O-N 3.34Å
197Y56.5Low48.2Very low212 Ų212137.4 Ų137.483%0.83176%0.759SS**  trans-61.2110.9164.3-85.5-87.5000106.8V195 A199V195-Y197 HydrophobicContact CB-CE2 4.45Å; V195-Y197 HydrophobicContact CG1-CD2 4.31Å; V195-Y197 HydrophobicContact CG1-CE2 4.32Å; V195-Y197 PolarHBondContact O-N 3.44Å; Y197-A199 PolarHBondContact O-N 3.31Å
198T58.7Low48.3Very low131 Ų131141.4 Ų141.480%0.80477%0.765SS**  trans-69.9114.1172.1-53.20000106.1K196K196-T198 PolarHBondContact O-N 3.34Å
199A61.5Low48.6Very low80 Ų80146.3 Ų146.366%0.66177%0.768SS**  trans-59.3133.6176.200000109.3Y197 K201Y197-A199 PolarHBondContact O-N 3.31Å; A199-K201 PolarHBondContact O-N 2.74Å
200P53.1Low49Very low124 Ų124145.4 Ų145.481%0.80579%0.788SS**  trans-62.2129.8176.124.2-30.8000109S202P200-S202 PolarHBondContact O-N 3.48Å; P200-S202 VanDerWaalsContact O-N 3.08Å
201K53.7Low49.4Very low200 Ų200145.3 Ų145.387%0.8779%0.793SS**  trans-59.5113.4171.6-76.8-179.4176.4-179.40108.2A199 T203A199-K201 PolarHBondContact O-N 2.74Å; K201-T203 PolarHBondContact O-N 3.34Å; K201-T203 VanDerWaalsContact O-N 3.11Å
202S53.1Low49.8Very low108 Ų108143.8 Ų143.876%0.75579%0.792SS**  trans-69.3104.1167.957.30000108.7P200 T204P200-S202 PolarHBondContact O-N 3.48Å; P200-S202 VanDerWaalsContact O-N 3.08Å; S202-T204 PolarHBondContact O-N 2.77Å
203T52.8Low50.4Low132 Ų132141.6 Ų141.681%0.8180%0.796SS**  trans-72.4100162.534.60000108.2K201 P205K201-T203 PolarHBondContact O-N 3.34Å; K201-T203 VanDerWaalsContact O-N 3.11Å; T203-P205 WeakPolarHBondContact O-CD 3.4Å
204T52.1Low50.7Low121 Ų121141.7 Ų141.774%0.74280%0.799SS**  trans-74.4116.3165.9-40.80000107.6S202 G206S202-T204 PolarHBondContact O-N 2.77Å; T204-G206 PolarHBondContact O-N 3.15Å
205P48.3Very low51.3Low110 Ų110147.1 Ų147.171%0.71481%0.813SS**  trans-73.8118.81702.614.1000107.3T203 K207T203-P205 WeakPolarHBondContact O-CD 3.4Å; P205-K207 PolarHBondContact O-N 3.09Å; P205-K207 VanDerWaalsContact O-N 3.08Å
206G48.4Very low51.2Low77 Ų77149.8 Ų149.879%0.79482%0.824SS**  trans-59.4111168.200000108.8T204 E208T204-G206 PolarHBondContact O-N 3.15Å; G206-E208 PolarHBondContact O-N 3.16Å
207K44.1Very low51.5Low170 Ų170146.4 Ų146.474%0.73982%0.822SS**  trans-76.6107.7166.8-71.1-175.4176.1179.20107.2P205 F209P205-K207 PolarHBondContact O-N 3.09Å; P205-K207 VanDerWaalsContact O-N 3.08Å; K207-F209 HydrophobicContact CB-CD2 4.09Å; K207-F209 HydrophobicContact CB-CE2 3.67Å; K207-F209 HydrophobicContact CB-CZ 4.36Å; K207-F209 HydrophobicContact CD-CE2 4.13Å; K207-F209 HydrophobicContact CD-CZ 4.16Å; K207-F209 PolarHBondContact O-N 3.12Å
208E45.6Very low51.2Low198 Ų198141.3 Ų141.393%0.92582%0.821SS**  trans-57.5125.5157.2-82.9177.1139.600108.3G206G206-E208 PolarHBondContact O-N 3.16Å
209F49.6Very low50.5Low170 Ų170142.2 Ų142.275%0.74682%0.823SS**  trans-116.8112.9164.7-77.2-81.1000107.6K207K207-F209 HydrophobicContact CB-CD2 4.09Å; K207-F209 HydrophobicContact CB-CE2 3.67Å; K207-F209 HydrophobicContact CB-CZ 4.36Å; K207-F209 HydrophobicContact CD-CE2 4.13Å; K207-F209 HydrophobicContact CD-CZ 4.16Å; K207-F209 PolarHBondContact O-N 3.12Å
210V44.3Very low49.6Very low216 Ų216147.8 Ų147.8100%1.30984%0.837SS**  trans47.20157.2-169.50000118.2

Retrieved 210 of 210 residues in 110.2 ms (Link to these results)

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