A0A087XNP8_POEFO Loading...

catechol O-methyltransferase

AlphaFold DB , UniProt , Accession A0A087XNP8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 264 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.7Low52.1Low194 Ų194112.3 Ų112.396%0.95663%0.625SS**  0-49.80-141.315870.800112.3L3 A4 L5M1-L3 PolarHBondContact O-N 3.37Å; M1-A4 PolarHBondContact O-N 3.35Å; M1-L5 PolarHBondContact O-N 3.1Å
2W43.1Very low53.6Low213 Ų213105.6 Ų105.681%0.80760%0.6SS**Hα-helixtrans-62.4-38.6176.9-71.489.7000115.2L5 L6W2-L5 PolarHBondContact O-N 2.94Å; W2-L6 PolarHBondContact O-N 2.94Å
3L41.6Very low55Low119 Ų119102 Ų10262%0.62359%0.592SS**Hα-helixtrans-64.7-41176.2-82.9150.3000112.7M1 L5 L6 Y7M1-L3 PolarHBondContact O-N 3.37Å; L3-L5 PolarHBondContact O-N 3.32Å; L3-L6 PolarHBondContact O-N 3.37Å; L3-Y7 HydrophobicContact CD2-CE2 3.98Å; L3-Y7 WeakPolarHBondContact O-CD2 3.32Å; L3-Y7 PolarHBondContact O-N 3.09Å
4A47.7Very low56.3Low74 Ų7498.6 Ų98.661%0.61258%0.582SS**Hα-helixtrans-68-35178.800000112.8M1 G8M1-A4 PolarHBondContact O-N 3.35Å; A4-G8 PolarHBondContact O-N 3.46Å
5L48.3Very low57.3Low114 Ų11499.3 Ų99.360%0.59758%0.581SS**Hα-helixtrans-66.5-42.7171.1-98.3137.1000111.8M1 W2 L3 G8 C9M1-L5 PolarHBondContact O-N 3.1Å; W2-L5 PolarHBondContact O-N 2.94Å; L3-L5 PolarHBondContact O-N 3.32Å; L5-G8 PolarHBondContact O-N 3.24Å; L5-C9 WeakPolarHBondContact O-CB 3.4Å; L5-C9 PolarHBondContact O-N 2.95Å; L5-C9 PolarHBondContact O-SG 3.33Å
6L47.6Very low58.3Low114 Ų114100.6 Ų100.660%0.59758%0.584SS**Hα-helixtrans-63.4-42.5174.7-85.4156.4000112.7W2 L3 C9 A10W2-L6 PolarHBondContact O-N 2.94Å; L3-L6 PolarHBondContact O-N 3.37Å; L6-C9 PolarHBondContact O-N 3.08Å; L6-A10 WeakPolarHBondContact O-CB 3.37Å; L6-A10 PolarHBondContact O-N 3.14Å
7Y49.1Very low59.1Low171 Ų171102.5 Ų102.567%0.67158%0.58SS**Hα-helixtrans-68.7-35.9175.4-79.4-70.1000112.6L3 G11L3-Y7 HydrophobicContact CD2-CE2 3.98Å; L3-Y7 WeakPolarHBondContact O-CD2 3.32Å; L3-Y7 PolarHBondContact O-N 3.09Å; Y7-G11 PolarHBondContact O-N 3.28Å
8G57Low59.9Low50 Ų50100.6 Ų100.652%0.51557%0.571SS.*Hα-helixtrans-66.1-43.3173.100000112.7A4 L5 G12A4-G8 PolarHBondContact O-N 3.46Å; L5-G8 PolarHBondContact O-N 3.24Å; G8-G12 PolarHBondContact O-N 3.07Å
9C57Low60.5Low85 Ų8598.6 Ų98.657%0.57456%0.558SS**Hα-helixtrans-67.7-41.1175.1-71.20000112.4L5 L6 G12 A13L5-C9 WeakPolarHBondContact O-CB 3.4Å; L5-C9 PolarHBondContact O-N 2.95Å; L5-C9 PolarHBondContact O-SG 3.33Å; L6-C9 PolarHBondContact O-N 3.08Å; C9-G12 PolarHBondContact O-N 3.17Å; C9-A13 VanDerWaalsContact O-CB 3.32Å; C9-A13 WeakPolarHBondContact O-CB 3.32Å; C9-A13 PolarHBondContact O-N 3.11Å
10A61.8Low61Low57 Ų5797.5 Ų97.547%0.47155%0.545SS..Hα-helixtrans-67.3-39.7176.100000112L6 A13 A14L6-A10 WeakPolarHBondContact O-CB 3.37Å; L6-A10 PolarHBondContact O-N 3.14Å; A10-A13 PolarHBondContact O-N 3.35Å; A10-A14 VanDerWaalsContact O-CB 3.27Å; A10-A14 WeakPolarHBondContact O-CB 3.41Å; A10-A14 PolarHBondContact O-N 2.82Å
11G67.5Low61.5Low44 Ų4498 Ų9845%0.45454%0.539SS..Hα-helixtrans-65.4-42.1174.300000112.6Y7 A14 L15Y7-G11 PolarHBondContact O-N 3.28Å; G11-A14 PolarHBondContact O-N 3.02Å; G11-L15 WeakPolarHBondContact O-CB 3.43Å; G11-L15 PolarHBondContact O-N 2.87Å
12G69.8Low62.3Low32 Ų3296.4 Ų96.433%0.3352%0.522SS..Hα-helixtrans-63.8-44.8173.600000112.8G8 C9 L15 L16G8-G12 PolarHBondContact O-N 3.07Å; C9-G12 PolarHBondContact O-N 3.17Å; G12-L15 PolarHBondContact O-N 2.9Å; G12-L16 WeakPolarHBondContact O-CB 3.33Å; G12-L16 VanDerWaalsContact O-CG 3.26Å; G12-L16 WeakPolarHBondContact O-CG 3.3Å; G12-L16 PolarHBondContact O-N 2.88Å
13A72.1Confident63.5Low59 Ų5989.5 Ų89.549%0.48850%0.503SS..Hα-helixtrans-65-39.9176.700000112.4C9 A10 L16 Y17C9-A13 VanDerWaalsContact O-CB 3.32Å; C9-A13 WeakPolarHBondContact O-CB 3.32Å; C9-A13 PolarHBondContact O-N 3.11Å; A10-A13 PolarHBondContact O-N 3.35Å; A13-L16 PolarHBondContact O-N 3.06Å; A13-Y17 VanDerWaalsContact O-CB 3.3Å; A13-Y17 WeakPolarHBondContact O-CB 3.5Å; A13-Y17 PolarHBondContact O-N 2.64Å
14A72.6Confident64.9Low55 Ų5586 Ų8646%0.45549%0.485SS..Hα-helixtrans-65.9-42175.100000111.8A10 G11 Y17 V18A10-A14 VanDerWaalsContact O-CB 3.27Å; A10-A14 WeakPolarHBondContact O-CB 3.41Å; A10-A14 PolarHBondContact O-N 2.82Å; G11-A14 PolarHBondContact O-N 3.02Å; A14-Y17 PolarHBondContact O-N 3.49Å; A14-V18 VanDerWaalsContact O-CG2 3.3Å; A14-V18 WeakPolarHBondContact O-CG2 3.38Å; A14-V18 PolarHBondContact O-N 2.95Å
15L71.4Confident65.8Low109 Ų10984.6 Ų84.657%0.57147%0.469SS*.Hα-helixtrans-62.7-46.8175.1-173.877.4000111.2G11 G12 Y17 V18 L19G11-L15 WeakPolarHBondContact O-CB 3.43Å; G11-L15 PolarHBondContact O-N 2.87Å; G12-L15 PolarHBondContact O-N 2.9Å; L15-Y17 VanDerWaalsContact C-N 3.32Å; L15-Y17 PolarHBondContact O-N 3.06Å; L15-V18 PolarHBondContact O-N 3.06Å; L15-L19 HydrophobicContact CD2-CD1 4.43Å; L15-L19 HydrophobicContact CG-CD1 4.04Å; L15-L19 WeakPolarHBondContact O-CB 3.15Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.19Å; L15-L19 PolarHBondContact O-N 2.91Å
16L73Confident66.7Low119 Ų11982.1 Ų82.162%0.62346%0.461SS*.Hα-helixtrans-61.4-40.7175.9-73.2170.7000111.5G12 A13 L19 Y20G12-L16 WeakPolarHBondContact O-CB 3.33Å; G12-L16 VanDerWaalsContact O-CG 3.26Å; G12-L16 WeakPolarHBondContact O-CG 3.3Å; G12-L16 PolarHBondContact O-N 2.88Å; A13-L16 PolarHBondContact O-N 3.06Å; L16-L19 PolarHBondContact O-N 2.82Å; L16-Y20 WeakPolarHBondContact O-CB 3.13Å; L16-Y20 PolarHBondContact O-N 2.86Å
17Y72.8Confident67.6Low134 Ų13480.6 Ų80.653%0.52546%0.457SS..Hα-helixtrans-62.8-43.6174.2179.3-98.9000111.7A13 A14 L15 Y20 R21A13-Y17 VanDerWaalsContact O-CB 3.3Å; A13-Y17 WeakPolarHBondContact O-CB 3.5Å; A13-Y17 PolarHBondContact O-N 2.64Å; A14-Y17 PolarHBondContact O-N 3.49Å; L15-Y17 VanDerWaalsContact C-N 3.32Å; L15-Y17 PolarHBondContact O-N 3.06Å; Y17-Y20 PolarHBondContact O-N 3.14Å; Y17-R21 HydrophobicContact CE1-CB 4.26Å; Y17-R21 HydrophobicContact CE1-CG 4.31Å; Y17-R21 HydrophobicContact CE2-CB 4.45Å; Y17-R21 WeakPolarHBondContact O-CA 3.38Å; Y17-R21 WeakPolarHBondContact O-CB 3.45Å; Y17-R21 PolarHBondContact O-N 2.86Å
18V73.6Confident68.6Low68 Ų6873 Ų7341%0.41243%0.428SS..Hα-helixtrans-65-43.21771700000111.3A14 L15 W22 V23A14-V18 VanDerWaalsContact O-CG2 3.3Å; A14-V18 WeakPolarHBondContact O-CG2 3.38Å; A14-V18 PolarHBondContact O-N 2.95Å; L15-V18 PolarHBondContact O-N 3.06Å; V18-W22 WeakPolarHBondContact O-CA 3.24Å; V18-W22 WeakPolarHBondContact O-CB 3.46Å; V18-W22 PolarHBondContact O-N 2.68Å; V18-V23 HydrophobicContact CG1-CG2 4.34Å; V18-V23 PolarHBondContact O-N 2.98Å
19L71.3Confident69.2Low62 Ų6273.2 Ų73.233%0.32542%0.416SS..Iπ-helixtrans-62-49.3176.7-71.7167.6000111.1L15 L16 V23 I24L15-L19 HydrophobicContact CD2-CD1 4.43Å; L15-L19 HydrophobicContact CG-CD1 4.04Å; L15-L19 WeakPolarHBondContact O-CB 3.15Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.19Å; L15-L19 PolarHBondContact O-N 2.91Å; L16-L19 PolarHBondContact O-N 2.82Å; L19-V23 HydrophobicContact CD2-CB 3.97Å; L19-V23 HydrophobicContact CD2-CG1 4.14Å; L19-V23 HydrophobicContact CD2-CG2 4.04Å; L19-V23 PolarHBondContact O-N 3.12Å; L19-I24 HydrophobicContact CB-CD1 4.25Å; L19-I24 WeakPolarHBondContact O-CB 3.32Å; L19-I24 VanDerWaalsContact O-CG1 3.31Å; L19-I24 WeakPolarHBondContact O-CG1 3.39Å; L19-I24 PolarHBondContact O-N 2.83Å
20Y70.3Confident69.8Low77 Ų7775.4 Ų75.430%0.30241%0.413SS..Iπ-helixtrans-62.6-45177.4165.4-100.7000112.8L16 Y17 P25 W38 V43L16-Y20 WeakPolarHBondContact O-CB 3.13Å; L16-Y20 PolarHBondContact O-N 2.86Å; Y17-Y20 PolarHBondContact O-N 3.14Å; Y20-P25 WeakPolarHBondContact O-CD 3.4Å; Y20-P25 WeakPolarHBondContact O-CG 3.4Å; Y20-W38 HydrophobicContact CD2-CH2 4.44Å; Y20-W38 AromaticContact CD2-CZ2 3.88Å; Y20-W38 HydrophobicContact CD2-CZ2 3.88Å; Y20-V43 HydrophobicContact CE2-CG1 4.45Å; Y20-V43 HydrophobicContact CE2-CG2 4.1Å
21R71.5Confident70.4Confident109 Ų10977.8 Ų77.841%0.41141%0.414SS..Iπ-helixtrans-84.1-31.9-170.3-174.758.5175.8155.5-0.5113.2Y17Y17-R21 HydrophobicContact CE1-CB 4.26Å; Y17-R21 HydrophobicContact CE1-CG 4.31Å; Y17-R21 HydrophobicContact CE2-CB 4.45Å; Y17-R21 WeakPolarHBondContact O-CA 3.38Å; Y17-R21 WeakPolarHBondContact O-CB 3.45Å; Y17-R21 PolarHBondContact O-N 2.86Å
22W69.1Low70.5Confident160 Ų16076.8 Ų76.861%0.60640%0.401SS*.Iπ-helixtrans-125-54.5-169.2-59.598.5000113V18 S26V18-W22 WeakPolarHBondContact O-CA 3.24Å; V18-W22 WeakPolarHBondContact O-CB 3.46Å; V18-W22 PolarHBondContact O-N 2.68Å; W22-S26 WeakPolarHBondContact O-CB 3.34Å; W22-S26 PolarHBondContact O-N 2.9Å; W22-S26 PolarHBondContact O-OG 2.66Å
23V69.3Low70.5Confident67 Ų6777.5 Ų77.541%0.40641%0.409SS..Iπ-helixtrans-72.2-51.5-169.1-177.60000111.8V18 L19 S26 V27V18-V23 HydrophobicContact CG1-CG2 4.34Å; V18-V23 PolarHBondContact O-N 2.98Å; L19-V23 HydrophobicContact CD2-CB 3.97Å; L19-V23 HydrophobicContact CD2-CG1 4.14Å; L19-V23 HydrophobicContact CD2-CG2 4.04Å; L19-V23 PolarHBondContact O-N 3.12Å; V23-S26 PolarHBondContact O-N 2.9Å; V23-V27 WeakPolarHBondContact O-CG2 3.49Å; V23-V27 PolarHBondContact O-N 3.04Å; V23-V27 VanDerWaalsContact O-N 3.11Å
24I69.2Low70.6Confident47 Ų4779.2 Ų79.224%0.24141%0.409CS..Hα-helixtrans-67.8-47.3-175-60.7167.8000111L19 S26 V27 V28 W38L19-I24 HydrophobicContact CB-CD1 4.25Å; L19-I24 WeakPolarHBondContact O-CB 3.32Å; L19-I24 VanDerWaalsContact O-CG1 3.31Å; L19-I24 WeakPolarHBondContact O-CG1 3.39Å; L19-I24 PolarHBondContact O-N 2.83Å; I24-S26 PolarHBondContact O-N 2.89Å; I24-V27 PolarHBondContact O-N 2.88Å; I24-V27 VanDerWaalsContact O-N 3.12Å; I24-V28 HydrophobicContact CG2-CG2 3.67Å; I24-V28 WeakPolarHBondContact O-CB 3.36Å; I24-V28 WeakPolarHBondContact O-CG2 3.41Å; I24-V28 PolarHBondContact O-N 3.07Å; I24-W38 HydrophobicContact CB-CH2 4.08Å; I24-W38 HydrophobicContact CB-CZ2 3.88Å; I24-W38 HydrophobicContact CB-CZ3 4.48Å; I24-W38 HydrophobicContact CD1-CH2 3.29Å; I24-W38 HydrophobicContact CD1-CZ2 3.95Å; I24-W38 HydrophobicContact CD1-CZ3 3.65Å; I24-W38 HydrophobicContact CG1-CH2 4.26Å; I24-W38 HydrophobicContact CG2-CD2 3.43Å; I24-W38 VanDerWaalsContact CG2-CD2 3.43Å; I24-W38 VanDerWaalsContact CG2-CE2 3.41Å; I24-W38 HydrophobicContact CG2-CE3 3.58Å; I24-W38 HydrophobicContact CG2-CG 4.08Å; I24-W38 HydrophobicContact CG2-CH2 3.77Å; I24-W38 HydrophobicContact CG2-CZ2 3.58Å; I24-W38 HydrophobicContact CG2-CZ3 3.76Å
25P68.1Low70.4Confident44 Ų4476.7 Ų76.729%0.28639%0.389SS..Hα-helixtrans-57.6-35.9173.2-25.134.5000113Y20 V27 Q29Y20-P25 WeakPolarHBondContact O-CD 3.4Å; Y20-P25 WeakPolarHBondContact O-CG 3.4Å; P25-V27 VanDerWaalsContact C-N 3.33Å; P25-V27 PolarHBondContact O-N 2.9Å; P25-Q29 WeakPolarHBondContact O-CB 3.4Å; P25-Q29 WeakPolarHBondContact O-CG 3.4Å; P25-Q29 PolarHBondContact O-N 3.42Å; P25-Q29 VanDerWaalsContact O-N 3.13Å
26S66.4Low70.5Confident61 Ų6174.1 Ų74.143%0.42738%0.375SS..Hα-helixtrans-67.5-31.5179-63.20000113.7W22 V23 I24 Q29 Y30W22-S26 WeakPolarHBondContact O-CB 3.34Å; W22-S26 PolarHBondContact O-N 2.9Å; W22-S26 PolarHBondContact O-OG 2.66Å; V23-S26 PolarHBondContact O-N 2.9Å; I24-S26 PolarHBondContact O-N 2.89Å; S26-Q29 VanDerWaalsContact CA-NE2 3.33Å; S26-Q29 WeakPolarHBondContact O-CG 3.39Å; S26-Q29 PolarHBondContact O-NE2 3.36Å; S26-Y30 VanDerWaalsContact O-CD2 3.28Å; S26-Y30 WeakPolarHBondContact O-CD2 3.39Å; S26-Y30 WeakPolarHBondContact O-CE2 3.17Å
27V65.7Low70.7Confident83 Ų8373.1 Ų73.150%0.50337%0.369SS..Hα-helixtrans-84.5-40178.51740000110.9V23 I24 P25V23-V27 WeakPolarHBondContact O-CG2 3.49Å; V23-V27 PolarHBondContact O-N 3.04Å; V23-V27 VanDerWaalsContact O-N 3.11Å; I24-V27 PolarHBondContact O-N 2.88Å; I24-V27 VanDerWaalsContact O-N 3.12Å; P25-V27 VanDerWaalsContact C-N 3.33Å; P25-V27 PolarHBondContact O-N 2.9Å
28V71.3Confident70.9Confident12 Ų1268.3 Ų68.37%0.07335%0.35CS..Hα-helixtrans-77.4-28.1-170.8171.10000112.8I24 Y30 H31 L34 A35 W38I24-V28 HydrophobicContact CG2-CG2 3.67Å; I24-V28 WeakPolarHBondContact O-CB 3.36Å; I24-V28 WeakPolarHBondContact O-CG2 3.41Å; I24-V28 PolarHBondContact O-N 3.07Å; V28-Y30 PolarHBondContact O-N 3.16Å; V28-H31 PolarHBondContact O-N 3.4Å; V28-L34 HydrophobicContact CG1-CB 4.47Å; V28-L34 HydrophobicContact CG2-CB 4.45Å; V28-A35 HydrophobicContact CG1-CB 3.59Å; V28-A35 VanDerWaalsContact CG1-N 3.34Å; V28-W38 HydrophobicContact CG1-CB 4.08Å; V28-W38 HydrophobicContact CG1-CG 4.47Å; V28-W38 HydrophobicContact CG2-CB 4.45Å
29Q69.3Low71.1Confident53 Ų5366.6 Ų66.625%0.24834%0.338CS..THydrogen-bonded Turntrans-60.9-6176.968.6-176.7-32.200115.3P25 S26 K252 V253P25-Q29 WeakPolarHBondContact O-CB 3.4Å; P25-Q29 WeakPolarHBondContact O-CG 3.4Å; P25-Q29 PolarHBondContact O-N 3.42Å; P25-Q29 VanDerWaalsContact O-N 3.13Å; S26-Q29 VanDerWaalsContact CA-NE2 3.33Å; S26-Q29 WeakPolarHBondContact O-CG 3.39Å; S26-Q29 PolarHBondContact O-NE2 3.36Å; Q29-K252 PolarHBondContact O-N 3.38Å; Q29-V253 WeakPolarHBondContact O-CG2 3.5Å
30Y69.8Low71.4Confident131 Ų13166.5 Ų66.551%0.51434%0.337SS..THydrogen-bonded Turntrans-108.4-6.7178.6-62.3-74.3000113.6S26 V28 K252S26-Y30 VanDerWaalsContact O-CD2 3.28Å; S26-Y30 WeakPolarHBondContact O-CD2 3.39Å; S26-Y30 WeakPolarHBondContact O-CE2 3.17Å; V28-Y30 PolarHBondContact O-N 3.16Å; Y30-K252 HydrophobicContact CE1-CB 4.48Å; Y30-K252 HydrophobicContact CE1-CD 4.07Å
31H74.3Confident71.6Confident107 Ų10767.4 Ų67.450%0.49535%0.351SS..  trans-134.2102.5-175.3-67.5-70.8000111.2V28 G33 L34 A35V28-H31 PolarHBondContact O-N 3.4Å; H31-G33 PolarHBondContact O-N 3.16Å; H31-L34 HydrophobicContact CB-CB 4.05Å; H31-L34 HydrophobicContact CB-CD1 3.92Å; H31-L34 HydrophobicContact CB-CG 4.18Å; H31-L34 PolarHBondContact O-N 3.26Å; H31-L34 VanDerWaalsContact O-N 3.15Å; H31-A35 PolarHBondContact O-N 3Å
32A69.1Low71.9Confident23 Ų2366.2 Ų66.219%0.1935%0.352CS..Hα-helixtrans-49.8-51.6-176.800000114.9L34 A35 L36 C223 V253A32-L34 VanDerWaalsContact C-N 3.33Å; A32-L34 PolarHBondContact O-N 2.92Å; A32-A35 WeakPolarHBondContact O-CA 3.27Å; A32-A35 WeakPolarHBondContact O-CB 3.25Å; A32-A35 PolarHBondContact O-N 3.46Å; A32-L36 WeakPolarHBondContact O-CG 3.27Å; A32-L36 PolarHBondContact O-N 3.22Å; A32-C223 WeakPolarHBondContact CB-SG 3.48Å; A32-V253 HydrophobicContact CB-CG1 4.08Å
33G70.8Confident72.4Confident47 Ų4759 Ų5949%0.48533%0.326SS..Hα-helixtrans-62.8-39.1-178.200000113H31 A35 I37H31-G33 PolarHBondContact O-N 3.16Å; G33-A35 VanDerWaalsContact C-N 3.32Å; G33-I37 VanDerWaalsContact O-CG1 3.31Å; G33-I37 WeakPolarHBondContact O-CG1 3.3Å; G33-I37 PolarHBondContact O-N 2.91Å; G33-I37 VanDerWaalsContact O-N 3.14Å
34L73.1Confident72.9Confident95 Ų9558 Ų5850%0.49732%0.317SS..Hα-helixtrans-69.6-32.5174.7-65.5176.9000111.4V28 H31 A32 W38V28-L34 HydrophobicContact CG1-CB 4.47Å; V28-L34 HydrophobicContact CG2-CB 4.45Å; H31-L34 HydrophobicContact CB-CB 4.05Å; H31-L34 HydrophobicContact CB-CD1 3.92Å; H31-L34 HydrophobicContact CB-CG 4.18Å; H31-L34 PolarHBondContact O-N 3.26Å; H31-L34 VanDerWaalsContact O-N 3.15Å; A32-L34 VanDerWaalsContact C-N 3.33Å; A32-L34 PolarHBondContact O-N 2.92Å; L34-W38 WeakPolarHBondContact O-CB 3.35Å; L34-W38 PolarHBondContact O-N 3.42Å
35A70.1Confident73.3Confident3 Ų357.7 Ų57.73%0.02533%0.325CS..Hα-helixtrans-64.5-48.7176.200000112.3V28 H31 A32 G33 W38 H39V28-A35 HydrophobicContact CG1-CB 3.59Å; V28-A35 VanDerWaalsContact CG1-N 3.34Å; H31-A35 PolarHBondContact O-N 3Å; A32-A35 WeakPolarHBondContact O-CA 3.27Å; A32-A35 WeakPolarHBondContact O-CB 3.25Å; A32-A35 PolarHBondContact O-N 3.46Å; G33-A35 VanDerWaalsContact C-N 3.32Å; A35-W38 PolarHBondContact O-N 3.06Å; A35-H39 WeakPolarHBondContact O-CB 3.44Å; A35-H39 PolarHBondContact O-CD2 3.17Å; A35-H39 PolarHBondContact O-N 3.17Å
36L72.1Confident73.9Confident54 Ų5459.8 Ų59.828%0.28333%0.333SS..Hα-helixtrans-61.9-48.2177.3-65.4173000111.1A32 W38 H39 D40 W88A32-L36 WeakPolarHBondContact O-CG 3.27Å; A32-L36 PolarHBondContact O-N 3.22Å; L36-W38 PolarHBondContact O-N 3.42Å; L36-H39 PolarHBondContact O-N 2.88Å; L36-D40 WeakPolarHBondContact O-CB 3.48Å; L36-D40 PolarHBondContact O-N 3.47Å; L36-W88 HydrophobicContact CD2-CH2 4.07Å
37I78.1Confident74.7Confident98 Ų9858.2 Ų58.250%0.50332%0.32SS..Iπ-helixtrans-61.4-44178.7-67.3168000111.6G33 T41 I42G33-I37 VanDerWaalsContact O-CG1 3.31Å; G33-I37 WeakPolarHBondContact O-CG1 3.3Å; G33-I37 PolarHBondContact O-N 2.91Å; G33-I37 VanDerWaalsContact O-N 3.14Å; I37-T41 VanDerWaalsContact O-CB 3.26Å; I37-T41 WeakPolarHBondContact O-CB 3.27Å; I37-T41 PolarHBondContact O-N 3.26Å; I37-T41 VanDerWaalsContact O-N 3.13Å; I37-I42 PolarHBondContact O-N 3.3Å
38W77.2Confident75.7Confident33 Ų3356.4 Ų56.413%0.12531%0.308CS..Iπ-helixtrans-62.2-50179.7177.3-108.3000111.5Y20 I24 V28 L34 A35 L36 I42 V43Y20-W38 HydrophobicContact CD2-CH2 4.44Å; Y20-W38 AromaticContact CD2-CZ2 3.88Å; Y20-W38 HydrophobicContact CD2-CZ2 3.88Å; I24-W38 HydrophobicContact CB-CH2 4.08Å; I24-W38 HydrophobicContact CB-CZ2 3.88Å; I24-W38 HydrophobicContact CB-CZ3 4.48Å; I24-W38 HydrophobicContact CD1-CH2 3.29Å; I24-W38 HydrophobicContact CD1-CZ2 3.95Å; I24-W38 HydrophobicContact CD1-CZ3 3.65Å; I24-W38 HydrophobicContact CG1-CH2 4.26Å; I24-W38 HydrophobicContact CG2-CD2 3.43Å; I24-W38 VanDerWaalsContact CG2-CD2 3.43Å; I24-W38 VanDerWaalsContact CG2-CE2 3.41Å; I24-W38 HydrophobicContact CG2-CE3 3.58Å; I24-W38 HydrophobicContact CG2-CG 4.08Å; I24-W38 HydrophobicContact CG2-CH2 3.77Å; I24-W38 HydrophobicContact CG2-CZ2 3.58Å; I24-W38 HydrophobicContact CG2-CZ3 3.76Å; V28-W38 HydrophobicContact CG1-CB 4.08Å; V28-W38 HydrophobicContact CG1-CG 4.47Å; V28-W38 HydrophobicContact CG2-CB 4.45Å; L34-W38 WeakPolarHBondContact O-CB 3.35Å; L34-W38 PolarHBondContact O-N 3.42Å; A35-W38 PolarHBondContact O-N 3.06Å; L36-W38 PolarHBondContact O-N 3.42Å; W38-I42 HydrophobicContact CE3-CB 4.16Å; W38-I42 HydrophobicContact CE3-CD1 3.73Å; W38-I42 HydrophobicContact CE3-CG2 4.09Å; W38-I42 HydrophobicContact CH2-CG2 4.37Å; W38-I42 HydrophobicContact CZ3-CB 4.39Å; W38-I42 HydrophobicContact CZ3-CD1 4.08Å; W38-I42 HydrophobicContact CZ3-CG2 3.8Å; W38-I42 PolarHBondContact O-N 2.89Å; W38-V43 HydrophobicContact CD2-CG2 4.18Å; W38-V43 HydrophobicContact CG-CG2 4.38Å; W38-V43 HydrophobicContact CZ2-CG2 4.04Å; W38-V43 WeakPolarHBondContact O-CG2 3.32Å; W38-V43 PolarHBondContact O-N 3.16Å
39H77.2Confident76.1Confident32 Ų3259 Ų5915%0.14833%0.33CS..Iπ-helixtrans-72.5-50.8-176-71.7-59.4000112.5A35 L36 E44 R55 W88A35-H39 WeakPolarHBondContact O-CB 3.44Å; A35-H39 PolarHBondContact O-CD2 3.17Å; A35-H39 PolarHBondContact O-N 3.17Å; L36-H39 PolarHBondContact O-N 2.88Å; H39-E44 PolarHBondContact O-N 3.39Å; H39-E44 VanDerWaalsContact O-N 3.09Å; H39-R55 VanDerWaalsContact C-NH2 3.33Å; H39-R55 PolarHBondContact O-NH2 3Å; H39-W88 HydrophobicContact CB-CB 4.48Å; H39-W88 HydrophobicContact CB-CD2 4.19Å; H39-W88 HydrophobicContact CB-CE3 3.66Å; H39-W88 HydrophobicContact CB-CZ3 4.26Å; H39-W88 AromaticContact CD2-CG 3.96Å; H39-W88 AromaticContact CG-CG 3.99Å; H39-W88 WeakPolarHBondContact ND1-CB 3.37Å
40D76.6Confident76.8Confident60 Ų6062.7 Ų62.732%0.32135%0.351SS..Iπ-helixtrans-84.8-26.6-169.6-64.6-23.6000114L36 R55 W88L36-D40 WeakPolarHBondContact O-CB 3.48Å; L36-D40 PolarHBondContact O-N 3.47Å; D40-R55 IonicContact OD1-CZ 2.7Å; D40-R55 IonicContact OD1-NH1 3.89Å; D40-R55 PolarHBondContact OD1-NH1 2.6Å; D40-R55 IonicContact OD1-NH2 3.11Å; D40-R55 PolarHBondContact OD1-NH2 2.92Å; D40-R55 VanDerWaalsContact OD1-NH2 3.07Å; D40-W88 WeakPolarHBondContact OD1-CZ3 3.22Å
41T75.6Confident77.5Confident97 Ų9759.3 Ų59.360%0.59534%0.344SS*.Iπ-helixtrans-98.7-53.5178.8-50.80000111.4I37 G45I37-T41 VanDerWaalsContact O-CB 3.26Å; I37-T41 WeakPolarHBondContact O-CB 3.27Å; I37-T41 PolarHBondContact O-N 3.26Å; I37-T41 VanDerWaalsContact O-N 3.13Å; T41-G45 PolarHBondContact O-N 3.39Å
42I78.3Confident78.3Confident83 Ų8361.8 Ų61.843%0.42636%0.356SS..Iπ-helixtrans-84-56.5-168.1-61.8170000111.1I37 W38 L46I37-I42 PolarHBondContact O-N 3.3Å; W38-I42 HydrophobicContact CE3-CB 4.16Å; W38-I42 HydrophobicContact CE3-CD1 3.73Å; W38-I42 HydrophobicContact CE3-CG2 4.09Å; W38-I42 HydrophobicContact CH2-CG2 4.37Å; W38-I42 HydrophobicContact CZ3-CB 4.39Å; W38-I42 HydrophobicContact CZ3-CD1 4.08Å; W38-I42 HydrophobicContact CZ3-CG2 3.8Å; W38-I42 PolarHBondContact O-N 2.89Å; I42-L46 WeakPolarHBondContact O-CB 3.21Å; I42-L46 PolarHBondContact O-N 3.35Å; I42-L46 VanDerWaalsContact O-N 3.13Å
43V77.9Confident79.3Confident9 Ų963 Ų636%0.05536%0.36CS..Iπ-helixtrans-67.8-46.3-175.3174.70000110.9Y20 W38 L46 L47Y20-V43 HydrophobicContact CE2-CG1 4.45Å; Y20-V43 HydrophobicContact CE2-CG2 4.1Å; W38-V43 HydrophobicContact CD2-CG2 4.18Å; W38-V43 HydrophobicContact CG-CG2 4.38Å; W38-V43 HydrophobicContact CZ2-CG2 4.04Å; W38-V43 WeakPolarHBondContact O-CG2 3.32Å; W38-V43 PolarHBondContact O-N 3.16Å; V43-L46 PolarHBondContact O-N 3.36Å; V43-L47 HydrophobicContact CG1-CD1 3.72Å; V43-L47 HydrophobicContact CG1-CG 4.29Å; V43-L47 WeakPolarHBondContact O-CB 3.41Å; V43-L47 WeakPolarHBondContact O-CG 3.2Å; V43-L47 PolarHBondContact O-N 3.47Å
44E80.9Confident80.3Confident46 Ų4663.5 Ų63.522%0.21535%0.354CS..Hα-helixtrans-62-47.2178.1179161.9-156.100112.1H39 L46 L47 N48 R55H39-E44 PolarHBondContact O-N 3.39Å; H39-E44 VanDerWaalsContact O-N 3.09Å; E44-L46 VanDerWaalsContact C-N 3.31Å; E44-L46 PolarHBondContact O-N 2.86Å; E44-L47 PolarHBondContact O-N 3.4Å; E44-N48 VanDerWaalsContact CG-ND2 3.27Å; E44-N48 WeakPolarHBondContact CG-ND2 3.4Å; E44-N48 VanDerWaalsContact O-CB 3.24Å; E44-N48 WeakPolarHBondContact O-CB 3.45Å; E44-N48 PolarHBondContact O-N 2.93Å; E44-N48 PolarHBondContact O-OD1 3.47Å; E44-R55 IonicContact OE2-CZ 3.44Å; E44-R55 IonicContact OE2-NH2 3.55Å
45G77.3Confident81.3Confident40 Ų4059.1 Ų59.141%0.41233%0.331SS..Hα-helixtrans-57.1-44.717800000112.5T41 A49T41-G45 PolarHBondContact O-N 3.39Å; G45-A49 WeakPolarHBondContact O-CB 3.39Å; G45-A49 PolarHBondContact O-N 2.83Å
46L81.8Confident82.5Confident88 Ų8859.4 Ų59.446%0.46133%0.333SS..Hα-helixtrans-65.8-47177.7-179.2143.7000112.2I42 V43 E44 A49 L50I42-L46 WeakPolarHBondContact O-CB 3.21Å; I42-L46 PolarHBondContact O-N 3.35Å; I42-L46 VanDerWaalsContact O-N 3.13Å; V43-L46 PolarHBondContact O-N 3.36Å; E44-L46 VanDerWaalsContact C-N 3.31Å; E44-L46 PolarHBondContact O-N 2.86Å; L46-A49 PolarHBondContact O-N 3.26Å; L46-L50 HydrophobicContact CD2-CD1 3.48Å; L46-L50 VanDerWaalsContact CD2-CD1 3.48Å; L46-L50 HydrophobicContact CD2-CG 4.38Å; L46-L50 HydrophobicContact CG-CD1 4.1Å; L46-L50 WeakPolarHBondContact O-CB 3.45Å; L46-L50 VanDerWaalsContact O-CG 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 PolarHBondContact O-N 2.97Å
47L82.4Confident83.7Confident29 Ų2961 Ų6115%0.15234%0.339CS..Hα-helixtrans-67.9-37.6-179.7-72.7175.9000112V43 E44 A49 L50 T51 E87V43-L47 HydrophobicContact CG1-CD1 3.72Å; V43-L47 HydrophobicContact CG1-CG 4.29Å; V43-L47 WeakPolarHBondContact O-CB 3.41Å; V43-L47 WeakPolarHBondContact O-CG 3.2Å; V43-L47 PolarHBondContact O-N 3.47Å; E44-L47 PolarHBondContact O-N 3.4Å; L47-A49 VanDerWaalsContact C-N 3.34Å; L47-L50 PolarHBondContact O-N 3.14Å; L47-T51 WeakPolarHBondContact O-CB 3.21Å; L47-T51 WeakPolarHBondContact O-CG2 3.39Å; L47-T51 PolarHBondContact O-N 2.99Å; L47-T51 PolarHBondContact O-OG1 3.29Å; L47-E87 HydrophobicContact CD1-CB 4.29Å; L47-E87 HydrophobicContact CD1-CG 3.82Å
48N85.8Confident84.6Confident45 Ų4557.8 Ų57.824%0.24132%0.32CS..Hα-helixtrans-64-42175.9-68-3.6000110.6E44 Q52 T53 R58E44-N48 VanDerWaalsContact CG-ND2 3.27Å; E44-N48 WeakPolarHBondContact CG-ND2 3.4Å; E44-N48 VanDerWaalsContact O-CB 3.24Å; E44-N48 WeakPolarHBondContact O-CB 3.45Å; E44-N48 PolarHBondContact O-N 2.93Å; E44-N48 PolarHBondContact O-OD1 3.47Å; N48-Q52 VanDerWaalsContact O-CA 3.27Å; N48-Q52 WeakPolarHBondContact O-CA 3.37Å; N48-Q52 PolarHBondContact O-N 3.02Å; N48-T53 WeakPolarHBondContact CA-O 3.25Å; N48-T53 PolarHBondContact OD1-O 2.77Å; N48-R58 PolarHBondContact OD1-NH1 3.18Å; N48-R58 PolarHBondContact OD1-NH2 3.29Å
49A81.2Confident85.5Confident65 Ų6556.2 Ų56.254%0.53731%0.314SS..Hα-helixtrans-64.6-42.5174.900000112.8G45 L46 L47 Q52G45-A49 WeakPolarHBondContact O-CB 3.39Å; G45-A49 PolarHBondContact O-N 2.83Å; L46-A49 PolarHBondContact O-N 3.26Å; L47-A49 VanDerWaalsContact C-N 3.34Å; A49-Q52 PolarHBondContact O-NE2 2.55Å
50L83.9Confident86.5Confident131 Ų13155.1 Ų55.169%0.68631%0.31SS*.Hα-helixtrans-72.8-38.6-178.5-72.3176.9000113.4L46 L47L46-L50 HydrophobicContact CD2-CD1 3.48Å; L46-L50 VanDerWaalsContact CD2-CD1 3.48Å; L46-L50 HydrophobicContact CD2-CG 4.38Å; L46-L50 HydrophobicContact CG-CD1 4.1Å; L46-L50 WeakPolarHBondContact O-CB 3.45Å; L46-L50 VanDerWaalsContact O-CG 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 PolarHBondContact O-N 2.97Å; L47-L50 PolarHBondContact O-N 3.14Å
51T84.9Confident87.5Confident60 Ų6054.8 Ų54.837%0.36832%0.315SS..Hα-helixtrans-99.9-14.2-172.565.60000113.7L47 T53 R58L47-T51 WeakPolarHBondContact O-CB 3.21Å; L47-T51 WeakPolarHBondContact O-CG2 3.39Å; L47-T51 PolarHBondContact O-N 2.99Å; L47-T51 PolarHBondContact O-OG1 3.29Å; T51-T53 WeakPolarHBondContact CB-OG1 3.29Å; T51-T53 PolarHBondContact O-N 2.65Å; T51-T53 PolarHBondContact OG1-N 2.81Å; T51-T53 PolarHBondContact OG1-OG1 2.95Å; T51-R58 PolarHBondContact OG1-NH1 3.31Å
52Q89.7Confident88.6Confident159 Ų15950.7 Ų50.774%0.74329%0.292SS*.SBendtrans55.129.2-173-57.9-66.9-48.100112.9N48 A49N48-Q52 VanDerWaalsContact O-CA 3.27Å; N48-Q52 WeakPolarHBondContact O-CA 3.37Å; N48-Q52 PolarHBondContact O-N 3.02Å; A49-Q52 PolarHBondContact O-NE2 2.55Å
53T90.1Very high89.5Confident48 Ų4846.8 Ų46.829%0.29427%0.271SS..SBendtrans-133.1161.6176.956.90000109.6N48 T51 Q57 R58N48-T53 WeakPolarHBondContact CA-O 3.25Å; N48-T53 PolarHBondContact OD1-O 2.77Å; T51-T53 WeakPolarHBondContact CB-OG1 3.29Å; T51-T53 PolarHBondContact O-N 2.65Å; T51-T53 PolarHBondContact OG1-N 2.81Å; T51-T53 PolarHBondContact OG1-OG1 2.95Å; T53-Q57 VanDerWaalsContact CA-OE1 3.26Å; T53-R58 PolarHBondContact O-NH1 2.98Å; T53-R58 WeakPolarHBondContact OG1-CG 3.38Å; T53-R58 PolarHBondContact OG1-NH1 2.8Å
54T92.9Very high90.5Very high58 Ų5850.1 Ų50.136%0.35629%0.286SS..  trans-89.6162.3173.467.40000111.4Q57 R58T54-Q57 WeakPolarHBondContact O-CB 3.33Å; T54-Q57 PolarHBondContact O-N 2.82Å; T54-Q57 VanDerWaalsContact O-N 3.11Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.23Å; T54-Q57 PolarHBondContact OG1-N 3.48Å; T54-R58 PolarHBondContact O-N 2.81Å
55R93.2Very high91.3Very high4 Ų456.2 Ų56.22%0.01531%0.312CS..Hα-helixtrans-54.5-47.4174.3179-169.9-59.3166.8-2.7112.6H39 D40 E44 Q57 R58 L59 E87 W88 A89H39-R55 VanDerWaalsContact C-NH2 3.33Å; H39-R55 PolarHBondContact O-NH2 3Å; D40-R55 IonicContact OD1-CZ 2.7Å; D40-R55 IonicContact OD1-NH1 3.89Å; D40-R55 PolarHBondContact OD1-NH1 2.6Å; D40-R55 IonicContact OD1-NH2 3.11Å; D40-R55 PolarHBondContact OD1-NH2 2.92Å; D40-R55 VanDerWaalsContact OD1-NH2 3.07Å; E44-R55 IonicContact OE2-CZ 3.44Å; E44-R55 IonicContact OE2-NH2 3.55Å; R55-Q57 VanDerWaalsContact C-N 3.32Å; R55-Q57 PolarHBondContact O-N 3.11Å; R55-R58 PolarHBondContact O-N 3.02Å; R55-L59 WeakPolarHBondContact O-CB 3.38Å; R55-L59 PolarHBondContact O-N 3.36Å; R55-E87 WeakPolarHBondContact CB-OE1 3.24Å; R55-E87 HydrophobicContact CG-CG 4.23Å; R55-E87 WeakPolarHBondContact CG-OE1 3.24Å; R55-E87 IonicContact NE-OE1 3.78Å; R55-E87 PolarHBondContact NE-OE1 3.14Å; R55-W88 VanDerWaalsContact CD-O 3.26Å; R55-W88 WeakPolarHBondContact CD-O 3.49Å; R55-W88 VanDerWaalsContact CZ-O 3.3Å; R55-W88 PolarHBondContact NE-O 2.92Å; R55-W88 VanDerWaalsContact NE-O 3.14Å; R55-A89 HydrophobicContact CG-CB 4.44Å
56P95.6Very high92.3Very high8 Ų859 Ų595%0.05232%0.318CS..Hα-helixtrans-54.7-41172.5-31.437.8000114.7L59 L60 Y118 I148P56-L59 PolarHBondContact O-N 2.95Å; P56-L60 PolarHBondContact O-N 3.32Å; P56-Y118 HydrophobicContact CG-CE2 3.81Å; P56-I148 HydrophobicContact CB-CB 4.29Å; P56-I148 HydrophobicContact CB-CG1 3.87Å; P56-I148 HydrophobicContact CB-CG2 4.11Å
57Q96.8Very high93.1Very high89 Ų8955.3 Ų55.342%0.41630%0.3SS..Hα-helixtrans-65.6-42.1177.4-73.4171.7-26.500111.9T53 T54 R55 L60 A61 I148T53-Q57 VanDerWaalsContact CA-OE1 3.26Å; T54-Q57 WeakPolarHBondContact O-CB 3.33Å; T54-Q57 PolarHBondContact O-N 2.82Å; T54-Q57 VanDerWaalsContact O-N 3.11Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.23Å; T54-Q57 PolarHBondContact OG1-N 3.48Å; R55-Q57 VanDerWaalsContact C-N 3.32Å; R55-Q57 PolarHBondContact O-N 3.11Å; Q57-L60 PolarHBondContact O-N 3.31Å; Q57-A61 WeakPolarHBondContact O-CB 3.49Å; Q57-A61 PolarHBondContact O-N 2.99Å; Q57-I148 HydrophobicContact CG-CD1 3.91Å
58R96.8Very high93.8Very high29 Ų2958.3 Ų58.311%0.10932%0.319CS..Hα-helixtrans-66.1-39176.5-67.6-170.3-68.1-84.7-0.6112.2N48 T51 T53 T54 R55 A61 A62 F82 E87N48-R58 PolarHBondContact OD1-NH1 3.18Å; N48-R58 PolarHBondContact OD1-NH2 3.29Å; T51-R58 PolarHBondContact OG1-NH1 3.31Å; T53-R58 PolarHBondContact O-NH1 2.98Å; T53-R58 WeakPolarHBondContact OG1-CG 3.38Å; T53-R58 PolarHBondContact OG1-NH1 2.8Å; T54-R58 PolarHBondContact O-N 2.81Å; R55-R58 PolarHBondContact O-N 3.02Å; R58-A61 PolarHBondContact O-N 2.93Å; R58-A62 PolarHBondContact O-N 2.91Å; R58-F82 HydrophobicContact CB-CE2 4.22Å; R58-F82 HydrophobicContact CB-CZ 3.87Å; R58-E87 IonicContact CZ-OE1 3.54Å; R58-E87 IonicContact CZ-OE2 3.62Å; R58-E87 VanDerWaalsContact CZ-OE2 3.28Å; R58-E87 IonicContact NE-OE1 2.81Å; R58-E87 IonicContact NE-OE2 3.68Å; R58-E87 PolarHBondContact NE-OE2 2.88Å; R58-E87 VanDerWaalsContact NH2-CD 3.29Å; R58-E87 IonicContact NH2-OE1 3.41Å; R58-E87 PolarHBondContact NH2-OE1 2.55Å; R58-E87 IonicContact NH2-OE2 2.75Å; R58-E87 PolarHBondContact NH2-OE2 2.83Å
59L97.4Very high94.4Very high0 Ų065.3 Ų65.30%034%0.342CS..Hα-helixtrans-62-48.1174.3-178.2159.2000110.7R55 P56 A61 A62 V63 I79 F82 A89 C119R55-L59 WeakPolarHBondContact O-CB 3.38Å; R55-L59 PolarHBondContact O-N 3.36Å; P56-L59 PolarHBondContact O-N 2.95Å; L59-A61 VanDerWaalsContact C-N 3.33Å; L59-A61 PolarHBondContact O-N 2.73Å; L59-A62 WeakPolarHBondContact O-CB 3.42Å; L59-A62 PolarHBondContact O-N 3.18Å; L59-A62 VanDerWaalsContact O-N 3.1Å; L59-V63 HydrophobicContact CD2-CG2 4.21Å; L59-V63 PolarHBondContact O-N 3.35Å; L59-I79 HydrophobicContact CD1-CG2 3.87Å; L59-I79 HydrophobicContact CD2-CD1 4.06Å; L59-I79 HydrophobicContact CD2-CG1 3.83Å; L59-I79 HydrophobicContact CD2-CG2 4.45Å; L59-I79 HydrophobicContact CG-CG1 4.34Å; L59-I79 HydrophobicContact CG-CG2 4.26Å; L59-F82 HydrophobicContact CB-CD1 4.08Å; L59-F82 HydrophobicContact CB-CE1 3.89Å; L59-F82 HydrophobicContact CD1-CD1 4.46Å; L59-F82 HydrophobicContact CG-CD1 4.2Å; L59-F82 HydrophobicContact CG-CE1 4.47Å; L59-A89 HydrophobicContact CD1-CB 4.39Å; L59-C119 HydrophobicContact CD1-CB 4.04Å; L59-C119 HydrophobicContact CD2-CB 3.85Å
60L98.1Very high95.2Very high9 Ų964.5 Ų64.55%0.04734%0.34CS..Hα-helixtrans-58.1-45174.8174.962.3000111.9P56 Q57 A62 V63 Q64 I148 Q151 V152P56-L60 PolarHBondContact O-N 3.32Å; Q57-L60 PolarHBondContact O-N 3.31Å; L60-A62 VanDerWaalsContact C-N 3.26Å; L60-A62 PolarHBondContact O-N 2.8Å; L60-V63 WeakPolarHBondContact O-CB 3.48Å; L60-V63 PolarHBondContact O-N 3.4Å; L60-V63 VanDerWaalsContact O-N 3.12Å; L60-Q64 HydrophobicContact CD1-CG 4.06Å; L60-Q64 HydrophobicContact CG-CG 4.38Å; L60-Q64 WeakPolarHBondContact O-CG 3.37Å; L60-Q64 PolarHBondContact O-N 2.98Å; L60-I148 HydrophobicContact CB-CD1 4.27Å; L60-I148 HydrophobicContact CB-CG2 4.08Å; L60-I148 HydrophobicContact CD2-CD1 3.65Å; L60-Q151 HydrophobicContact CD1-CB 3.8Å; L60-Q151 HydrophobicContact CD2-CB 3.81Å; L60-Q151 HydrophobicContact CD2-CG 4.33Å; L60-Q151 HydrophobicContact CG-CB 4.49Å; L60-V152 HydrophobicContact CD1-CG2 3.74Å
61A97.8Very high95.9Very high53 Ų5361.2 Ų61.244%0.43832%0.323SS..Hα-helixtrans-60.6-37.1176.700000111.9Q57 R58 L59 Q64 K65Q57-A61 WeakPolarHBondContact O-CB 3.49Å; Q57-A61 PolarHBondContact O-N 2.99Å; R58-A61 PolarHBondContact O-N 2.93Å; L59-A61 VanDerWaalsContact C-N 3.33Å; L59-A61 PolarHBondContact O-N 2.73Å; A61-Q64 PolarHBondContact O-N 2.84Å; A61-K65 VanDerWaalsContact O-CB 3.23Å; A61-K65 WeakPolarHBondContact O-CB 3.31Å; A61-K65 PolarHBondContact O-N 2.66Å
62A97.4Very high96.6Very high12 Ų1259.4 Ų59.410%0.09931%0.313CS..Hα-helixtrans-66.5-38.5174.300000112.3R58 L59 L60 N66 F82R58-A62 PolarHBondContact O-N 2.91Å; L59-A62 WeakPolarHBondContact O-CB 3.42Å; L59-A62 PolarHBondContact O-N 3.18Å; L59-A62 VanDerWaalsContact O-N 3.1Å; L60-A62 VanDerWaalsContact C-N 3.26Å; L60-A62 PolarHBondContact O-N 2.8Å; A62-N66 WeakPolarHBondContact O-CB 3.35Å; A62-N66 PolarHBondContact O-N 3.06Å; A62-N66 PolarHBondContact O-ND2 2.5Å; A62-F82 HydrophobicContact CB-CB 4.01Å; A62-F82 HydrophobicContact CB-CD2 3.51Å; A62-F82 HydrophobicContact CB-CE2 4.26Å; A62-F82 HydrophobicContact CB-CG 3.94Å
63V98.3Very high97Very high0 Ų061.7 Ų61.70%032%0.315CS..Hα-helixtrans-61.7-53.1172.3171.20000110.2L59 L60 K65 N66 A67 V75 I79 W155L59-V63 HydrophobicContact CD2-CG2 4.21Å; L59-V63 PolarHBondContact O-N 3.35Å; L60-V63 WeakPolarHBondContact O-CB 3.48Å; L60-V63 PolarHBondContact O-N 3.4Å; L60-V63 VanDerWaalsContact O-N 3.12Å; V63-K65 PolarHBondContact O-N 3.04Å; V63-N66 PolarHBondContact O-N 3.49Å; V63-A67 HydrophobicContact CG1-CB 4.03Å; V63-A67 WeakPolarHBondContact O-CA 3.36Å; V63-A67 WeakPolarHBondContact O-CB 3.47Å; V63-A67 PolarHBondContact O-N 3.31Å; V63-V75 HydrophobicContact CG1-CB 4.46Å; V63-V75 HydrophobicContact CG1-CG1 3.96Å; V63-V75 HydrophobicContact CG1-CG2 4.07Å; V63-V75 HydrophobicContact CG2-CG1 4.39Å; V63-I79 HydrophobicContact CG2-CD1 4Å; V63-I79 HydrophobicContact CG2-CG1 3.45Å; V63-I79 VanDerWaalsContact CG2-CG1 3.45Å; V63-W155 HydrophobicContact CG1-CB 4.46Å; V63-W155 HydrophobicContact CG1-CG 4.13Å
64Q98.2Very high97.4Very high79 Ų7960.3 Ų60.337%0.36931%0.307SS..Hα-helixtrans-61.5-31.3-177.2-67.8178.6-23.900113L60 A61 W155L60-Q64 HydrophobicContact CD1-CG 4.06Å; L60-Q64 HydrophobicContact CG-CG 4.38Å; L60-Q64 WeakPolarHBondContact O-CG 3.37Å; L60-Q64 PolarHBondContact O-N 2.98Å; A61-Q64 PolarHBondContact O-N 2.84Å; Q64-W155 HydrophobicContact CB-CE3 4.44Å; Q64-W155 HydrophobicContact CB-CH2 3.84Å; Q64-W155 HydrophobicContact CB-CZ2 4.11Å; Q64-W155 HydrophobicContact CB-CZ3 4.03Å; Q64-W155 HydrophobicContact CG-CD2 4.11Å; Q64-W155 HydrophobicContact CG-CE3 3.72Å; Q64-W155 HydrophobicContact CG-CH2 4Å; Q64-W155 HydrophobicContact CG-CZ2 4.4Å; Q64-W155 HydrophobicContact CG-CZ3 3.64Å; Q64-W155 VanDerWaalsContact O-CZ2 3.24Å; Q64-W155 WeakPolarHBondContact O-CZ2 3.28Å
65K97.9Very high97.6Very high174 Ų17457.6 Ų57.676%0.75729%0.29SS*.Hα-helixtrans-79.2-38.4178.6-176176.9177.8176.60113.5A61 V63A61-K65 VanDerWaalsContact O-CB 3.23Å; A61-K65 WeakPolarHBondContact O-CB 3.31Å; A61-K65 PolarHBondContact O-N 2.66Å; V63-K65 PolarHBondContact O-N 3.04Å
66N98Very high97.9Very high99 Ų9958.2 Ų58.253%0.52930%0.295SS..Hα-helixtrans-116.1-15-165-53.7-60.9000114.5A62 V63 A78A62-N66 WeakPolarHBondContact O-CB 3.35Å; A62-N66 PolarHBondContact O-N 3.06Å; A62-N66 PolarHBondContact O-ND2 2.5Å; V63-N66 PolarHBondContact O-N 3.49Å; N66-A78 HydrophobicContact CB-CB 4.29Å
67A98.4Very high98Very high10 Ų1064 Ų648%0.08332%0.319CS..SBendtrans-99.3145.9179.600000111.9V63 V75 A78 W155V63-A67 HydrophobicContact CG1-CB 4.03Å; V63-A67 WeakPolarHBondContact O-CA 3.36Å; V63-A67 WeakPolarHBondContact O-CB 3.47Å; V63-A67 PolarHBondContact O-N 3.31Å; A67-V75 HydrophobicContact CB-CB 4.46Å; A67-V75 HydrophobicContact CB-CG2 3.91Å; A67-A78 HydrophobicContact CB-CB 3.92Å; A67-W155 PolarHBondContact O-NE1 2.99Å
68T98.6Very high98Very high92 Ų9259.8 Ų59.856%0.56430%0.3SS*.PPolyproline II helixtrans-76.8126.8173.4-570000109.5G70 D71 S74T68-G70 PolarHBondContact O-N 2.9Å; T68-D71 HydrophobicContact CG2-CB 4.34Å; T68-D71 PolarHBondContact O-N 2.87Å; T68-D71 VanDerWaalsContact O-N 3.14Å; T68-S74 PolarHBondContact N-OG 3.14Å; T68-S74 PolarHBondContact O-OG 2.7Å; T68-S74 VanDerWaalsContact O-OG 3.11Å
69R98.2Very high98.1Very high193 Ų19358.5 Ų58.573%0.72830%0.295SS*.THydrogen-bonded Turntrans-62.4132.2177.2-168.8177.6-176-170.11.6110.4D71 W155R69-D71 VanDerWaalsContact C-N 3.32Å; R69-W155 WeakPolarHBondContact CA-O 3.36Å; R69-W155 HydrophobicContact CB-CZ2 4.43Å; R69-W155 HydrophobicContact CG-CD2 4.39Å
70G98.1Very high98Very high48 Ų4859.5 Ų59.550%0.49530%0.3SS..THydrogen-bonded Turntrans815.6-176.600000114.8T68 P72 W155 A156T68-G70 PolarHBondContact O-N 2.9Å; G70-P72 WeakPolarHBondContact O-CD 3.49Å; G70-W155 PolarHBondContact N-O 3.39Å; G70-A156 CarbonylContact C-O 3.47Å
71D98.5Very high97.8Very high61 Ų6162.9 Ų62.933%0.32632%0.315SS..  trans-114.897.6175.2177.32.8000110.7T68 R69 R73 S74 V75T68-D71 HydrophobicContact CG2-CB 4.34Å; T68-D71 PolarHBondContact O-N 2.87Å; T68-D71 VanDerWaalsContact O-N 3.14Å; R69-D71 VanDerWaalsContact C-N 3.32Å; D71-R73 PolarHBondContact O-N 3.43Å; D71-R73 WeakPolarHBondContact OD1-CB 3.49Å; D71-R73 PolarHBondContact OD1-N 2.93Å; D71-S74 PolarHBondContact O-N 3.4Å; D71-S74 VanDerWaalsContact O-N 3.15Å; D71-S74 PolarHBondContact O-OG 2.89Å; D71-S74 PolarHBondContact OD1-N 2.79Å; D71-S74 WeakPolarHBondContact OD2-CB 3.33Å; D71-V75 PolarHBondContact O-N 3.26Å
72P98.2Very high97.7Very high23 Ų2361.3 Ų61.315%0.14930%0.299CS..Hα-helixtrans-53.8-36.2177.7-28.736.1000114.1G70 V75 V76 V124 A156 L158G70-P72 WeakPolarHBondContact O-CD 3.49Å; P72-V75 WeakPolarHBondContact O-CB 3.43Å; P72-V75 PolarHBondContact O-N 3.19Å; P72-V76 WeakPolarHBondContact O-CG2 3.44Å; P72-V76 PolarHBondContact O-N 3.02Å; P72-V124 HydrophobicContact CB-CG1 3.83Å; P72-A156 WeakPolarHBondContact CD-O 3.49Å; P72-A156 HydrophobicContact CG-CB 4.46Å; P72-A156 WeakPolarHBondContact CG-O 3.25Å; P72-L158 HydrophobicContact CB-CD1 3.97Å; P72-L158 HydrophobicContact CG-CD1 3.72Å; P72-L158 HydrophobicContact CG-CD2 4Å; P72-L158 HydrophobicContact CG-CG 3.86Å
73R97.9Very high97.5Very high207 Ų20761 Ų6178%0.78130%0.296SS*.Hα-helixtrans-68.2-39.8-178.1-65.1-179.6178.2179.7-0.5110.7D71 V75 K77D71-R73 PolarHBondContact O-N 3.43Å; D71-R73 WeakPolarHBondContact OD1-CB 3.49Å; D71-R73 PolarHBondContact OD1-N 2.93Å; R73-V75 VanDerWaalsContact C-N 3.3Å; R73-V75 PolarHBondContact O-N 3.4Å; R73-K77 WeakPolarHBondContact O-CB 3.1Å; R73-K77 PolarHBondContact O-N 3.05Å
74S98.4Very high97Very high19 Ų1967 Ų6713%0.13332%0.319CS..Hα-helixtrans-65.5-34.717578.90000112.5T68 D71 A78T68-S74 PolarHBondContact N-OG 3.14Å; T68-S74 PolarHBondContact O-OG 2.7Å; T68-S74 VanDerWaalsContact O-OG 3.11Å; D71-S74 PolarHBondContact O-N 3.4Å; D71-S74 VanDerWaalsContact O-N 3.15Å; D71-S74 PolarHBondContact O-OG 2.89Å; D71-S74 PolarHBondContact OD1-N 2.79Å; D71-S74 WeakPolarHBondContact OD2-CB 3.33Å; S74-A78 WeakPolarHBondContact O-CB 3.2Å; S74-A78 PolarHBondContact O-N 3.11Å
75V98.6Very high96.5Very high0 Ų068.7 Ų68.70%033%0.327CS..Hα-helixtrans-64.9-52.5176.31720000110.8V63 A67 D71 P72 R73 K77 A78 I79 V124 V152 A156V63-V75 HydrophobicContact CG1-CB 4.46Å; V63-V75 HydrophobicContact CG1-CG1 3.96Å; V63-V75 HydrophobicContact CG1-CG2 4.07Å; V63-V75 HydrophobicContact CG2-CG1 4.39Å; A67-V75 HydrophobicContact CB-CB 4.46Å; A67-V75 HydrophobicContact CB-CG2 3.91Å; D71-V75 PolarHBondContact O-N 3.26Å; P72-V75 WeakPolarHBondContact O-CB 3.43Å; P72-V75 PolarHBondContact O-N 3.19Å; R73-V75 VanDerWaalsContact C-N 3.3Å; R73-V75 PolarHBondContact O-N 3.4Å; V75-K77 VanDerWaalsContact C-N 3.32Å; V75-K77 PolarHBondContact O-N 3.16Å; V75-A78 PolarHBondContact O-N 2.98Å; V75-A78 VanDerWaalsContact O-N 3.16Å; V75-I79 HydrophobicContact CG1-CD1 4.1Å; V75-I79 WeakPolarHBondContact O-CG1 3.41Å; V75-I79 PolarHBondContact O-N 2.75Å; V75-V124 HydrophobicContact CG1-CG1 4.39Å; V75-V152 HydrophobicContact CG1-CG1 3.77Å; V75-A156 HydrophobicContact CB-CB 4.48Å; V75-A156 HydrophobicContact CG2-CB 4.07Å
76V98.1Very high95.9Very high18 Ų1867.4 Ų67.411%0.10932%0.321CS..Hα-helixtrans-56.2-48.1177.3173.40000110.4P72 A78 I79 D80 Y121 V124 R125P72-V76 WeakPolarHBondContact O-CG2 3.44Å; P72-V76 PolarHBondContact O-N 3.02Å; V76-A78 VanDerWaalsContact C-N 3.35Å; V76-A78 PolarHBondContact O-N 3.39Å; V76-I79 PolarHBondContact O-N 2.89Å; V76-D80 PolarHBondContact O-N 3.12Å; V76-Y121 HydrophobicContact CB-CE2 4.43Å; V76-Y121 HydrophobicContact CG1-CD2 4.48Å; V76-Y121 HydrophobicContact CG1-CE2 3.67Å; V76-V124 HydrophobicContact CG2-CB 4.43Å; V76-V124 HydrophobicContact CG2-CG1 3.83Å; V76-R125 HydrophobicContact CB-CG 4.49Å; V76-R125 HydrophobicContact CG1-CG 3.97Å; V76-R125 HydrophobicContact CG2-CG 3.63Å
77K97.7Very high95.4Very high128 Ų12863 Ų6356%0.55730%0.298SS*.Hα-helixtrans-59.8-41.1177.8-176.7179.3179.1-178.60113R73 V75 I79 D80 Q81R73-K77 WeakPolarHBondContact O-CB 3.1Å; R73-K77 PolarHBondContact O-N 3.05Å; V75-K77 VanDerWaalsContact C-N 3.32Å; V75-K77 PolarHBondContact O-N 3.16Å; K77-I79 VanDerWaalsContact C-N 3.33Å; K77-D80 PolarHBondContact O-N 3.37Å; K77-Q81 WeakPolarHBondContact O-CB 3.5Å; K77-Q81 VanDerWaalsContact O-CG 3.27Å; K77-Q81 WeakPolarHBondContact O-CG 3.26Å; K77-Q81 PolarHBondContact O-N 2.99Å
78A97.9Very high94.9Very high2 Ų263.4 Ų63.42%0.01730%0.297CS..Hα-helixtrans-65.5-38.1178.500000111.7N66 A67 S74 V75 V76 F82N66-A78 HydrophobicContact CB-CB 4.29Å; A67-A78 HydrophobicContact CB-CB 3.92Å; S74-A78 WeakPolarHBondContact O-CB 3.2Å; S74-A78 PolarHBondContact O-N 3.11Å; V75-A78 PolarHBondContact O-N 2.98Å; V75-A78 VanDerWaalsContact O-N 3.16Å; V76-A78 VanDerWaalsContact C-N 3.35Å; V76-A78 PolarHBondContact O-N 3.39Å; A78-F82 WeakPolarHBondContact O-CB 3.5Å; A78-F82 PolarHBondContact O-N 3.36Å
79I97.6Very high94.4Very high1 Ų159 Ų591%0.00527%0.27CS..Hα-helixtrans-66.4-47.7175.3-63.1170.5000110.5L59 V63 V75 V76 K77 Q81 F82 C83 N91 Y121 V152L59-I79 HydrophobicContact CD1-CG2 3.87Å; L59-I79 HydrophobicContact CD2-CD1 4.06Å; L59-I79 HydrophobicContact CD2-CG1 3.83Å; L59-I79 HydrophobicContact CD2-CG2 4.45Å; L59-I79 HydrophobicContact CG-CG1 4.34Å; L59-I79 HydrophobicContact CG-CG2 4.26Å; V63-I79 HydrophobicContact CG2-CD1 4Å; V63-I79 HydrophobicContact CG2-CG1 3.45Å; V63-I79 VanDerWaalsContact CG2-CG1 3.45Å; V75-I79 HydrophobicContact CG1-CD1 4.1Å; V75-I79 WeakPolarHBondContact O-CG1 3.41Å; V75-I79 PolarHBondContact O-N 2.75Å; V76-I79 PolarHBondContact O-N 2.89Å; K77-I79 VanDerWaalsContact C-N 3.33Å; I79-Q81 VanDerWaalsContact C-N 3.3Å; I79-Q81 PolarHBondContact O-N 2.93Å; I79-F82 WeakPolarHBondContact O-CB 3.46Å; I79-F82 PolarHBondContact O-N 3Å; I79-F82 VanDerWaalsContact O-N 3.14Å; I79-C83 PolarHBondContact O-N 3.17Å; I79-C83 PolarHBondContact O-SG 2.94Å; I79-C83 VanDerWaalsContact O-SG 3.4Å; I79-N91 WeakPolarHBondContact CG2-ND2 3.29Å; I79-Y121 HydrophobicContact CB-CD2 3.68Å; I79-Y121 HydrophobicContact CB-CE2 4.06Å; I79-Y121 HydrophobicContact CD1-CD2 3.89Å; I79-Y121 HydrophobicContact CG1-CD2 4.38Å; I79-Y121 HydrophobicContact CG2-CD2 3.42Å; I79-Y121 VanDerWaalsContact CG2-CD2 3.42Å; I79-Y121 HydrophobicContact CG2-CE2 3.96Å; I79-Y121 HydrophobicContact CG2-CG 4.33Å; I79-V152 HydrophobicContact CD1-CG1 4.33Å
80D95.4Very high93.8Very high21 Ų2154 Ų5411%0.11226%0.256CS..Hα-helixtrans-57.3-44.1177-72.4-35.2000111.8V76 K77 C83 R84 Y121 Y250V76-D80 PolarHBondContact O-N 3.12Å; K77-D80 PolarHBondContact O-N 3.37Å; D80-C83 PolarHBondContact O-N 3.1Å; D80-R84 WeakPolarHBondContact O-CB 3.42Å; D80-R84 VanDerWaalsContact O-CG 3.29Å; D80-R84 WeakPolarHBondContact O-CG 3.24Å; D80-R84 PolarHBondContact O-N 3.35Å; D80-Y121 VanDerWaalsContact CG-OH 3.24Å; D80-Y121 VanDerWaalsContact OD1-CE2 3.27Å; D80-Y121 WeakPolarHBondContact OD1-CE2 3.41Å; D80-Y121 VanDerWaalsContact OD1-CZ 3.23Å; D80-Y121 PolarHBondContact OD1-OH 3.12Å; D80-Y121 PolarHBondContact OD2-OH 2.95Å; D80-Y250 PolarHBondContact OD1-OH 3.36Å
81Q95.4Very high93.4Very high80 Ų8052 Ų5237%0.37423%0.234SC..Hα-helixtrans-63.7-42.2177.5-74.9179.8-8.200112.1K77 I79 Q85K77-Q81 WeakPolarHBondContact O-CB 3.5Å; K77-Q81 VanDerWaalsContact O-CG 3.27Å; K77-Q81 WeakPolarHBondContact O-CG 3.26Å; K77-Q81 PolarHBondContact O-N 2.99Å; I79-Q81 VanDerWaalsContact C-N 3.3Å; I79-Q81 PolarHBondContact O-N 2.93Å; Q81-Q85 VanDerWaalsContact O-CB 3.22Å; Q81-Q85 WeakPolarHBondContact O-CB 3.38Å; Q81-Q85 VanDerWaalsContact O-CG 3.31Å; Q81-Q85 WeakPolarHBondContact O-CG 3.49Å; Q81-Q85 PolarHBondContact O-N 2.95Å
82F95.1Very high92.9Very high21 Ų2149.2 Ų49.29%0.09222%0.219CC..Hα-helixtrans-60.3-49.1174.6176.3-96.7000110.9R58 L59 A62 A78 I79 R84 Q85 K86 E87R58-F82 HydrophobicContact CB-CE2 4.22Å; R58-F82 HydrophobicContact CB-CZ 3.87Å; L59-F82 HydrophobicContact CB-CD1 4.08Å; L59-F82 HydrophobicContact CB-CE1 3.89Å; L59-F82 HydrophobicContact CD1-CD1 4.46Å; L59-F82 HydrophobicContact CG-CD1 4.2Å; L59-F82 HydrophobicContact CG-CE1 4.47Å; A62-F82 HydrophobicContact CB-CB 4.01Å; A62-F82 HydrophobicContact CB-CD2 3.51Å; A62-F82 HydrophobicContact CB-CE2 4.26Å; A62-F82 HydrophobicContact CB-CG 3.94Å; A78-F82 WeakPolarHBondContact O-CB 3.5Å; A78-F82 PolarHBondContact O-N 3.36Å; I79-F82 WeakPolarHBondContact O-CB 3.46Å; I79-F82 PolarHBondContact O-N 3Å; I79-F82 VanDerWaalsContact O-N 3.14Å; F82-R84 PolarHBondContact O-N 2.86Å; F82-Q85 PolarHBondContact O-N 2.83Å; F82-K86 HydrophobicContact CD2-CB 3.83Å; F82-K86 HydrophobicContact CD2-CG 4.12Å; F82-K86 HydrophobicContact CE2-CB 3.91Å; F82-K86 HydrophobicContact CG-CB 4.47Å; F82-K86 WeakPolarHBondContact O-CA 3.46Å; F82-K86 WeakPolarHBondContact O-CB 3.36Å; F82-K86 PolarHBondContact O-N 3.41Å; F82-E87 HydrophobicContact CE1-CB 3.96Å; F82-E87 HydrophobicContact CZ-CB 3.81Å; F82-E87 PolarHBondContact O-N 2.55Å; F82-E87 VanDerWaalsContact O-N 3.12Å
83C92.4Very high92.4Very high6 Ų648.1 Ų48.14%0.04121%0.212CC..Hα-helixtrans-65.8-38.3-178-67.60000113.5I79 D80 E87 N91 Y250I79-C83 PolarHBondContact O-N 3.17Å; I79-C83 PolarHBondContact O-SG 2.94Å; I79-C83 VanDerWaalsContact O-SG 3.4Å; D80-C83 PolarHBondContact O-N 3.1Å; C83-E87 VanDerWaalsContact CA-O 3.28Å; C83-E87 WeakPolarHBondContact CA-O 3.45Å; C83-N91 PolarHBondContact SG-ND2 2.77Å; C83-N91 VanDerWaalsContact SG-ND2 3.4Å; C83-Y250 HydrophobicContact CB-CD1 4.39Å; C83-Y250 HydrophobicContact CB-CD2 3.85Å; C83-Y250 HydrophobicContact CB-CE1 3.91Å; C83-Y250 HydrophobicContact CB-CE2 3.34Å; C83-Y250 HydrophobicContact CB-CG 4.34Å
84R87.9Confident92Very high124 Ų12440.4 Ų40.447%0.46819%0.186SC..Hα-helixtrans-73.5-35.3177.5-72.8-179.5169-74.12.2113.3D80 F82 D94 Y250D80-R84 WeakPolarHBondContact O-CB 3.42Å; D80-R84 VanDerWaalsContact O-CG 3.29Å; D80-R84 WeakPolarHBondContact O-CG 3.24Å; D80-R84 PolarHBondContact O-N 3.35Å; F82-R84 PolarHBondContact O-N 2.86Å; R84-D94 IonicContact CZ-OD1 2.78Å; R84-D94 IonicContact CZ-OD2 2.77Å; R84-D94 VanDerWaalsContact CZ-OD2 3.28Å; R84-D94 IonicContact NE-OD1 3.51Å; R84-D94 IonicContact NE-OD2 3.9Å; R84-D94 PolarHBondContact NE-OD2 2.79Å; R84-D94 VanDerWaalsContact NE-OD2 3.1Å; R84-D94 IonicContact NH2-OD1 3.71Å; R84-D94 PolarHBondContact NH2-OD1 2.95Å; R84-D94 IonicContact NH2-OD2 3.76Å; R84-D94 PolarHBondContact NH2-OD2 2.91Å; R84-Y250 HydrophobicContact CG-CD1 3.46Å; R84-Y250 VanDerWaalsContact CG-CD1 3.46Å; R84-Y250 HydrophobicContact CG-CE1 3.95Å; R84-Y250 HydrophobicContact CG-CG 4.34Å
85Q87.6Confident91.7Very high116 Ų11643.8 Ų43.854%0.54220%0.2SC..Hα-helixtrans-109.1-28.1-165.9-59.2-178.7-0.600114.6Q81 F82Q81-Q85 VanDerWaalsContact O-CB 3.22Å; Q81-Q85 WeakPolarHBondContact O-CB 3.38Å; Q81-Q85 VanDerWaalsContact O-CG 3.31Å; Q81-Q85 WeakPolarHBondContact O-CG 3.49Å; Q81-Q85 PolarHBondContact O-N 2.95Å; F82-Q85 PolarHBondContact O-N 2.83Å
86K86.8Confident91.6Very high146 Ų14643.9 Ų43.964%0.63520%0.2SC*.THydrogen-bonded Turntrans-114.1-61.9-170.6-60.2-62.2-175.5-1800111.6F82F82-K86 HydrophobicContact CD2-CB 3.83Å; F82-K86 HydrophobicContact CD2-CG 4.12Å; F82-K86 HydrophobicContact CE2-CB 3.91Å; F82-K86 HydrophobicContact CG-CB 4.47Å; F82-K86 WeakPolarHBondContact O-CA 3.46Å; F82-K86 WeakPolarHBondContact O-CB 3.36Å; F82-K86 PolarHBondContact O-N 3.41Å
87E86.4Confident91.5Very high8 Ų843 Ų434%0.03720%0.195CC..  trans-153.8120-171.6-175178.5-177.700110.2L47 R55 R58 F82 C83L47-E87 HydrophobicContact CD1-CB 4.29Å; L47-E87 HydrophobicContact CD1-CG 3.82Å; R55-E87 WeakPolarHBondContact CB-OE1 3.24Å; R55-E87 HydrophobicContact CG-CG 4.23Å; R55-E87 WeakPolarHBondContact CG-OE1 3.24Å; R55-E87 IonicContact NE-OE1 3.78Å; R55-E87 PolarHBondContact NE-OE1 3.14Å; R58-E87 IonicContact CZ-OE1 3.54Å; R58-E87 IonicContact CZ-OE2 3.62Å; R58-E87 VanDerWaalsContact CZ-OE2 3.28Å; R58-E87 IonicContact NE-OE1 2.81Å; R58-E87 IonicContact NE-OE2 3.68Å; R58-E87 PolarHBondContact NE-OE2 2.88Å; R58-E87 VanDerWaalsContact NH2-CD 3.29Å; R58-E87 IonicContact NH2-OE1 3.41Å; R58-E87 PolarHBondContact NH2-OE1 2.55Å; R58-E87 IonicContact NH2-OE2 2.75Å; R58-E87 PolarHBondContact NH2-OE2 2.83Å; F82-E87 HydrophobicContact CE1-CB 3.96Å; F82-E87 HydrophobicContact CZ-CB 3.81Å; F82-E87 PolarHBondContact O-N 2.55Å; F82-E87 VanDerWaalsContact O-N 3.12Å; C83-E87 VanDerWaalsContact CA-O 3.28Å; C83-E87 WeakPolarHBondContact CA-O 3.45Å
88W87.5Confident91.5Very high17 Ų1740.3 Ų40.36%0.06419%0.192CC..  trans-56.7143.4174.9-178.792.3000111.2L36 H39 D40 R55 M90 E249 Y250L36-W88 HydrophobicContact CD2-CH2 4.07Å; H39-W88 HydrophobicContact CB-CB 4.48Å; H39-W88 HydrophobicContact CB-CD2 4.19Å; H39-W88 HydrophobicContact CB-CE3 3.66Å; H39-W88 HydrophobicContact CB-CZ3 4.26Å; H39-W88 AromaticContact CD2-CG 3.96Å; H39-W88 AromaticContact CG-CG 3.99Å; H39-W88 WeakPolarHBondContact ND1-CB 3.37Å; D40-W88 WeakPolarHBondContact OD1-CZ3 3.22Å; R55-W88 VanDerWaalsContact CD-O 3.26Å; R55-W88 WeakPolarHBondContact CD-O 3.49Å; R55-W88 VanDerWaalsContact CZ-O 3.3Å; R55-W88 PolarHBondContact NE-O 2.92Å; R55-W88 VanDerWaalsContact NE-O 3.14Å; W88-M90 HydrophobicContact CH2-CB 3.89Å; W88-M90 HydrophobicContact CZ3-CB 4.28Å; W88-E249 HydrophobicContact CZ2-CG 3.78Å; W88-E249 VanDerWaalsContact CZ2-OE1 3.3Å; W88-E249 WeakPolarHBondContact CZ2-OE1 3.18Å; W88-E249 PolarHBondContact NE1-O 3.3Å; W88-Y250 AromaticContact CD1-CD2 3.9Å
89A88.2Confident91.5Very high0 Ų041.6 Ų41.60%020%0.198CC..  trans-143.9152.1172.100000109.8R55 L59 N91 Y118R55-A89 HydrophobicContact CG-CB 4.44Å; L59-A89 HydrophobicContact CD1-CB 4.39Å; A89-N91 PolarHBondContact O-N 3.12Å; A89-Y118 HydrophobicContact CB-CE1 4.15Å
90M85.5Confident91.5Very high88 Ų8841.6 Ų41.643%0.43320%0.198SC..  trans-71.638.3-178.560.8176.9-79.500114.5W88 Y118W88-M90 HydrophobicContact CH2-CB 3.89Å; W88-M90 HydrophobicContact CZ3-CB 4.28Å; M90-Y118 HydrophobicContact CG-CD1 4.02Å; M90-Y118 HydrophobicContact CG-CE1 3.86Å; M90-Y118 HydrophobicContact CG-CE2 4.38Å; M90-Y118 HydrophobicContact CG-CG 4.36Å
91N90Very high91.7Very high7 Ų742.5 Ų42.54%0.03720%0.203CC..SBendtrans-79.7151.9170.3-56.5-45.7000108.9I79 C83 A89 G93 Y118 Y121 E249I79-N91 WeakPolarHBondContact CG2-ND2 3.29Å; C83-N91 PolarHBondContact SG-ND2 2.77Å; C83-N91 VanDerWaalsContact SG-ND2 3.4Å; A89-N91 PolarHBondContact O-N 3.12Å; N91-G93 PolarHBondContact O-N 3.43Å; N91-Y118 VanDerWaalsContact OD1-CD1 3.26Å; N91-Y118 WeakPolarHBondContact OD1-CD1 3.29Å; N91-Y118 WeakPolarHBondContact OD1-CE1 3.21Å; N91-Y121 HydrophobicContact CB-CD1 3.96Å; N91-Y121 HydrophobicContact CB-CD2 4.41Å; N91-Y121 HydrophobicContact CB-CG 3.85Å; N91-E249 WeakPolarHBondContact O-CB 3.4Å; N91-E249 VanDerWaalsContact O-CG 3.24Å; N91-E249 WeakPolarHBondContact O-CG 3.46Å
92V88.6Confident91.8Very high1 Ų142.3 Ų42.31%0.00621%0.21CC..  trans-48.6-29.3175.774.50000113.8K96 Y121 F189 D219V92-K96 HydrophobicContact CG2-CB 3.66Å; V92-K96 WeakPolarHBondContact O-CB 3.38Å; V92-K96 WeakPolarHBondContact O-CE 3.42Å; V92-Y121 HydrophobicContact CG1-CD1 3.65Å; V92-Y121 HydrophobicContact CG1-CE1 3.46Å; V92-Y121 VanDerWaalsContact CG1-CE1 3.46Å; V92-F189 HydrophobicContact CG2-CZ 4.18Å; V92-D219 WeakPolarHBondContact CG2-OD2 3.49Å
93G88.3Confident92Very high1 Ų141.5 Ų41.51%0.0121%0.207CC..  trans80.4175.2176.700000113.7N91 G97 Y121 R125N91-G93 PolarHBondContact O-N 3.43Å; G93-G97 VanDerWaalsContact O-CA 3.3Å; G93-G97 WeakPolarHBondContact O-CA 3.4Å; G93-G97 PolarHBondContact O-N 3.1Å; G93-Y121 PolarHBondContact O-OH 2.84Å; G93-R125 PolarHBondContact O-NH1 2.84Å
94D88.6Confident92.3Very high44 Ų4441.2 Ų41.224%0.23521%0.205CC..Hα-helixtrans-74.2-42.9-170.456.2-10000113.9R84 G97 C98R84-D94 IonicContact CZ-OD1 2.78Å; R84-D94 IonicContact CZ-OD2 2.77Å; R84-D94 VanDerWaalsContact CZ-OD2 3.28Å; R84-D94 IonicContact NE-OD1 3.51Å; R84-D94 IonicContact NE-OD2 3.9Å; R84-D94 PolarHBondContact NE-OD2 2.79Å; R84-D94 VanDerWaalsContact NE-OD2 3.1Å; R84-D94 IonicContact NH2-OD1 3.71Å; R84-D94 PolarHBondContact NH2-OD1 2.95Å; R84-D94 IonicContact NH2-OD2 3.76Å; R84-D94 PolarHBondContact NH2-OD2 2.91Å; D94-G97 PolarHBondContact O-N 3.03Å; D94-C98 PolarHBondContact O-N 2.91Å; D94-C98 PolarHBondContact O-SG 3.11Å
95E92.4Very high92.8Very high90 Ų9039.7 Ų39.742%0.42121%0.21SC..Hα-helixtrans-63.2-56.9179.3-67.7-175.2-152.300112.4G97 C98 H247E95-G97 VanDerWaalsContact C-N 3.28Å; E95-G97 PolarHBondContact O-N 2.91Å; E95-C98 WeakPolarHBondContact O-CB 3.2Å; E95-C98 PolarHBondContact O-N 3.22Å; E95-H247 IonicContact OE2-CE1 2.71Å; E95-H247 IonicContact OE2-CG 3.08Å; E95-H247 IonicContact OE2-ND1 3.49Å; E95-H247 PolarHBondContact OE2-ND1 3.21Å
96K95.8Very high93.2Very high2 Ų240.2 Ų40.21%0.00921%0.212CC..Hα-helixtrans-65.1-34.3176.1-72-168.6-61.7173.70111.9V92 C98 I99 L100 D219 N220 S246 E249 D255 L257V92-K96 HydrophobicContact CG2-CB 3.66Å; V92-K96 WeakPolarHBondContact O-CB 3.38Å; V92-K96 WeakPolarHBondContact O-CE 3.42Å; K96-C98 VanDerWaalsContact C-N 3.29Å; K96-C98 PolarHBondContact O-N 3.45Å; K96-I99 WeakPolarHBondContact O-CB 3.39Å; K96-I99 PolarHBondContact O-N 2.69Å; K96-I99 VanDerWaalsContact O-N 3.07Å; K96-L100 PolarHBondContact O-N 3.31Å; K96-D219 WeakPolarHBondContact CD-OD1 3.32Å; K96-D219 WeakPolarHBondContact CE-OD1 3.45Å; K96-D219 IonicContact NZ-OD1 3.07Å; K96-D219 PolarHBondContact NZ-OD1 3.39Å; K96-D219 IonicContact NZ-OD2 3.6Å; K96-D219 PolarHBondContact NZ-OD2 3.13Å; K96-N220 PolarHBondContact NZ-ND2 2.78Å; K96-S246 WeakPolarHBondContact CG-OG 3.44Å; K96-E249 IonicContact NZ-OE2 3.43Å; K96-E249 PolarHBondContact NZ-OE2 2.86Å; K96-D255 IonicContact NZ-OD2 3.84Å; K96-D255 PolarHBondContact NZ-OD2 3.29Å; K96-L257 HydrophobicContact CB-CD1 3.8Å; K96-L257 HydrophobicContact CD-CD1 4.05Å; K96-L257 HydrophobicContact CG-CD1 3.77Å
97G96.8Very high93.7Very high0 Ų035 Ų350%019%0.192CC..Hα-helixtrans-64.1-30.4174.900000113.7G93 D94 E95 I99 L100 D101 R125G93-G97 VanDerWaalsContact O-CA 3.3Å; G93-G97 WeakPolarHBondContact O-CA 3.4Å; G93-G97 PolarHBondContact O-N 3.1Å; D94-G97 PolarHBondContact O-N 3.03Å; E95-G97 VanDerWaalsContact C-N 3.28Å; E95-G97 PolarHBondContact O-N 2.91Å; G97-I99 VanDerWaalsContact C-N 3.28Å; G97-I99 PolarHBondContact O-N 2.82Å; G97-L100 WeakPolarHBondContact O-CB 3.44Å; G97-L100 PolarHBondContact O-N 2.88Å; G97-D101 WeakPolarHBondContact O-CB 3.46Å; G97-D101 PolarHBondContact O-N 3.11Å; G97-R125 PolarHBondContact O-NH2 2.98Å; G97-R125 VanDerWaalsContact O-NH2 3.13Å
98C97Very high94.2Very high72 Ų7239.4 Ų39.449%0.48622%0.216SC..Hα-helixtrans-64.8-34.2171.9-72.60000112.1D94 E95 K96 S102D94-C98 PolarHBondContact O-N 2.91Å; D94-C98 PolarHBondContact O-SG 3.11Å; E95-C98 WeakPolarHBondContact O-CB 3.2Å; E95-C98 PolarHBondContact O-N 3.22Å; K96-C98 VanDerWaalsContact C-N 3.29Å; K96-C98 PolarHBondContact O-N 3.45Å; C98-S102 WeakPolarHBondContact O-CB 3.39Å; C98-S102 PolarHBondContact O-N 3.41Å; C98-S102 PolarHBondContact O-OG 2.77Å
99I97.9Very high94.7Very high29 Ų2938.8 Ų38.815%0.14921%0.214CC..Hα-helixtrans-66.9-47.1173.1-61.3161.9000109.3K96 G97 D101 S102 V103 F244 L257K96-I99 WeakPolarHBondContact O-CB 3.39Å; K96-I99 PolarHBondContact O-N 2.69Å; K96-I99 VanDerWaalsContact O-N 3.07Å; G97-I99 VanDerWaalsContact C-N 3.28Å; G97-I99 PolarHBondContact O-N 2.82Å; I99-D101 PolarHBondContact O-N 2.99Å; I99-S102 WeakPolarHBondContact O-CB 3.33Å; I99-S102 PolarHBondContact O-N 3.16Å; I99-V103 HydrophobicContact CG2-CG2 4.49Å; I99-V103 WeakPolarHBondContact O-CG2 3.23Å; I99-V103 PolarHBondContact O-N 3.31Å; I99-F244 HydrophobicContact CD1-CB 4.01Å; I99-F244 HydrophobicContact CG2-CB 3.93Å; I99-F244 HydrophobicContact CG2-CD1 3.92Å; I99-F244 HydrophobicContact CG2-CD2 4.42Å; I99-F244 HydrophobicContact CG2-CG 3.83Å; I99-L257 HydrophobicContact CB-CD1 4.08Å; I99-L257 HydrophobicContact CD1-CD1 3.75Å; I99-L257 HydrophobicContact CG2-CD1 4.09Å
100L98.6Very high95.2Very high0 Ų040.5 Ų40.50%023%0.229CC..Hα-helixtrans-54.9-50.7175176.361000111.6K96 G97 S102 V103 V104 I126 F189 L217K96-L100 PolarHBondContact O-N 3.31Å; G97-L100 WeakPolarHBondContact O-CB 3.44Å; G97-L100 PolarHBondContact O-N 2.88Å; L100-S102 VanDerWaalsContact C-N 3.28Å; L100-S102 PolarHBondContact O-N 2.87Å; L100-V103 PolarHBondContact O-N 3.15Å; L100-V104 HydrophobicContact CD1-CG2 4.09Å; L100-V104 HydrophobicContact CG-CG2 4.48Å; L100-V104 VanDerWaalsContact O-CG2 3.29Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 2.98Å; L100-I126 HydrophobicContact CD1-CD1 4.14Å; L100-I126 HydrophobicContact CD1-CG1 3.95Å; L100-I126 HydrophobicContact CD2-CD1 4.22Å; L100-I126 HydrophobicContact CD2-CG1 3.89Å; L100-I126 HydrophobicContact CG-CG1 4.07Å; L100-F189 HydrophobicContact CD1-CD2 3.89Å; L100-F189 HydrophobicContact CD1-CE2 4.11Å; L100-F189 HydrophobicContact CD1-CG 4.31Å; L100-F189 HydrophobicContact CD2-CE1 4.43Å; L100-F189 HydrophobicContact CD2-CE2 4.47Å; L100-F189 HydrophobicContact CD2-CZ 4.29Å; L100-L217 HydrophobicContact CB-CD2 4.45Å; L100-L217 HydrophobicContact CD1-CD2 3.56Å
101D98.5Very high95.8Very high41 Ų4137.5 Ų37.522%0.21922%0.215CC..Hα-helixtrans-59-40.9179.2-65.2-8000111.6G97 I99 T105 R125 L129G97-D101 WeakPolarHBondContact O-CB 3.46Å; G97-D101 PolarHBondContact O-N 3.11Å; I99-D101 PolarHBondContact O-N 2.99Å; D101-T105 WeakPolarHBondContact O-CB 3.45Å; D101-T105 PolarHBondContact O-N 3.03Å; D101-T105 PolarHBondContact O-OG1 2.83Å; D101-R125 IonicContact OD1-CZ 2.97Å; D101-R125 IonicContact OD1-NE 3.87Å; D101-R125 PolarHBondContact OD1-NE 3.46Å; D101-R125 VanDerWaalsContact OD1-NE 3.08Å; D101-R125 IonicContact OD1-NH2 2.83Å; D101-R125 IonicContact OD2-CZ 2.77Å; D101-R125 IonicContact OD2-NE 3.17Å; D101-R125 PolarHBondContact OD2-NE 3.04Å; D101-R125 IonicContact OD2-NH2 4Å; D101-R125 PolarHBondContact OD2-NH2 3.32Å; D101-L129 HydrophobicContact CB-CD1 3.64Å
102S98.3Very high96.2Very high76 Ų7637.1 Ų37.153%0.53121%0.213SC..Hα-helixtrans-64.9-44177.9-59.70000111.5C98 I99 L100 T105 E106C98-S102 WeakPolarHBondContact O-CB 3.39Å; C98-S102 PolarHBondContact O-N 3.41Å; C98-S102 PolarHBondContact O-OG 2.77Å; I99-S102 WeakPolarHBondContact O-CB 3.33Å; I99-S102 PolarHBondContact O-N 3.16Å; L100-S102 VanDerWaalsContact C-N 3.28Å; L100-S102 PolarHBondContact O-N 2.87Å; S102-T105 PolarHBondContact O-N 3.19Å; S102-E106 WeakPolarHBondContact O-CB 3.32Å; S102-E106 PolarHBondContact O-N 3.03Å
103V98.4Very high96.7Very high3 Ų337.1 Ų37.12%0.01821%0.213CC..Hα-helixtrans-66.2-44.8177.6173.40000111I99 L100 T105 E106 V107 L187 I215 L217 K259I99-V103 HydrophobicContact CG2-CG2 4.49Å; I99-V103 WeakPolarHBondContact O-CG2 3.23Å; I99-V103 PolarHBondContact O-N 3.31Å; L100-V103 PolarHBondContact O-N 3.15Å; V103-T105 VanDerWaalsContact C-N 3.27Å; V103-T105 PolarHBondContact O-N 3Å; V103-E106 PolarHBondContact O-N 3.49Å; V103-V107 HydrophobicContact CG1-CG2 4.17Å; V103-V107 WeakPolarHBondContact O-CB 3.49Å; V103-V107 WeakPolarHBondContact O-CG2 3.31Å; V103-V107 PolarHBondContact O-N 3.2Å; V103-L187 HydrophobicContact CG1-CD1 4.32Å; V103-I215 HydrophobicContact CG1-CG2 4.32Å; V103-L217 HydrophobicContact CB-CD2 4.1Å; V103-L217 HydrophobicContact CG1-CD2 4.14Å; V103-L217 HydrophobicContact CG2-CD1 4.43Å; V103-L217 HydrophobicContact CG2-CD2 4.26Å; V103-K259 HydrophobicContact CG1-CD 4.26Å; V103-K259 HydrophobicContact CG2-CD 4.1Å
104V98.6Very high97.2Very high1 Ų137 Ų371%0.00621%0.213CC..Hα-helixtrans-59.4-41.9177175.60000110.7L100 N108 P109 I126 L129 L130 L187L100-V104 HydrophobicContact CD1-CG2 4.09Å; L100-V104 HydrophobicContact CG-CG2 4.48Å; L100-V104 VanDerWaalsContact O-CG2 3.29Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 2.98Å; V104-N108 WeakPolarHBondContact O-CA 3.26Å; V104-N108 PolarHBondContact O-N 3.25Å; V104-P109 HydrophobicContact CG1-CG 4.42Å; V104-P109 VanDerWaalsContact O-CD 3.24Å; V104-P109 WeakPolarHBondContact O-CD 3.38Å; V104-I126 HydrophobicContact CG1-CG2 4.36Å; V104-I126 HydrophobicContact CG2-CB 4.41Å; V104-I126 HydrophobicContact CG2-CG1 4.1Å; V104-I126 HydrophobicContact CG2-CG2 4.02Å; V104-L129 HydrophobicContact CB-CD1 4.22Å; V104-L129 HydrophobicContact CG1-CB 3.78Å; V104-L129 HydrophobicContact CG1-CD1 4.29Å; V104-L130 HydrophobicContact CG1-CD2 4.04Å; V104-L187 HydrophobicContact CG2-CD2 3.68Å
105T98.2Very high97.7Very high92 Ų9235 Ų3556%0.56420%0.202SC*.Hα-helixtrans-68.1-42.2178-55.10000112.2D101 S102 V103D101-T105 WeakPolarHBondContact O-CB 3.45Å; D101-T105 PolarHBondContact O-N 3.03Å; D101-T105 PolarHBondContact O-OG1 2.83Å; S102-T105 PolarHBondContact O-N 3.19Å; V103-T105 VanDerWaalsContact C-N 3.27Å; V103-T105 PolarHBondContact O-N 3Å
106E96.9Very high98Very high126 Ų12631.4 Ų31.459%0.58919%0.188SC*.Hα-helixtrans-60.2-44.5176.1-179.3-168.3149.600111.3S102 V103 K259S102-E106 WeakPolarHBondContact O-CB 3.32Å; S102-E106 PolarHBondContact O-N 3.03Å; V103-E106 PolarHBondContact O-N 3.49Å; E106-K259 IonicContact OE1-NZ 3.74Å; E106-K259 PolarHBondContact OE1-NZ 3.48Å; E106-K259 IonicContact OE2-NZ 2.84Å; E106-K259 PolarHBondContact OE2-NZ 3.24Å
107V96.9Very high98.1Very high37 Ų3731.4 Ų31.422%0.22419%0.189CC..Hα-helixtrans-77.8-35.7-176.5177.70000112V103 P109 I215V103-V107 HydrophobicContact CG1-CG2 4.17Å; V103-V107 WeakPolarHBondContact O-CB 3.49Å; V103-V107 WeakPolarHBondContact O-CG2 3.31Å; V103-V107 PolarHBondContact O-N 3.2Å; V107-P109 HydrophobicContact CG1-CB 3.88Å; V107-P109 HydrophobicContact CG1-CG 4.27Å; V107-I215 HydrophobicContact CG2-CD1 3.31Å; V107-I215 HydrophobicContact CG2-CG1 4.15Å
108N97.6Very high98.2Very high101 Ų10132.7 Ų32.754%0.5419%0.194SC..  trans46.158.1-170-174.439.6000112.2V104V104-N108 WeakPolarHBondContact O-CA 3.26Å; V104-N108 PolarHBondContact O-N 3.25Å
109P98.2Very high98.2Very high3 Ų329.2 Ų29.22%0.01917%0.171CC..  trans-71.4143.3-16828.6-33000112.2V104 V107 V112 L130 A134 D186 L187V104-P109 HydrophobicContact CG1-CG 4.42Å; V104-P109 VanDerWaalsContact O-CD 3.24Å; V104-P109 WeakPolarHBondContact O-CD 3.38Å; V107-P109 HydrophobicContact CG1-CB 3.88Å; V107-P109 HydrophobicContact CG1-CG 4.27Å; P109-V112 HydrophobicContact CB-CG2 3.87Å; P109-V112 HydrophobicContact CG-CG2 3.58Å; P109-L130 HydrophobicContact CG-CD2 3.66Å; P109-A134 VanDerWaalsContact O-CB 3.32Å; P109-A134 WeakPolarHBondContact O-CB 3.43Å; P109-D186 HydrophobicContact CB-CB 3.62Å; P109-L187 HydrophobicContact CB-CB 4.02Å; P109-L187 HydrophobicContact CG-CB 4.14Å; P109-L187 HydrophobicContact CG-CD2 4.21Å
110A97.6Very high98.2Very high37 Ų3727.9 Ų27.931%0.30616%0.164SC..SBendtrans-86.3-28.4170.300000111.6A134 K135 D186A110-A134 CarbonylContact O-C 3.59Å; A110-A134 WeakPolarHBondContact O-CA 3.33Å; A110-A134 WeakPolarHBondContact O-CB 3.4Å; A110-K135 PolarHBondContact O-N 3.19Å; A110-D186 WeakPolarHBondContact CA-OD2 3.13Å; A110-D186 WeakPolarHBondContact CB-OD2 3.45Å; A110-D186 PolarHBondContact N-OD2 2.87Å
111T98.4Very high98.2Very high24 Ų2428 Ų2815%0.14716%0.164CC..EExtended strand (participates in β ladder)trans-133.6123-178.153.90000110.6I182 T184 F185 D186 L187T111-I182 HydrophobicContact CG2-CD1 3.68Å; T111-T184 PolarHBondContact OG1-O 2.71Å; T111-T184 VanDerWaalsContact OG1-O 3.06Å; T111-F185 WeakPolarHBondContact OG1-CA 3.21Å; T111-D186 PolarHBondContact N-OD2 2.92Å; T111-D186 PolarHBondContact O-N 3.04Å; T111-D186 PolarHBondContact OG1-N 3.49Å; T111-D186 VanDerWaalsContact OG1-N 3.14Å; T111-D186 PolarHBondContact OG1-OD2 3.11Å; T111-D186 VanDerWaalsContact OG1-OD2 3.06Å; T111-L187 PolarHBondContact O-N 3.22Å
112V98.9Very high98.2Very high0 Ų026.3 Ų26.30%016%0.156CC..EExtended strand (participates in β ladder)trans-122.6135.5179.2-171.60000110.7P109 I126 L130 K135 L136 I137 L187P109-V112 HydrophobicContact CB-CG2 3.87Å; P109-V112 HydrophobicContact CG-CG2 3.58Å; V112-I126 HydrophobicContact CG1-CG2 4.11Å; V112-I126 HydrophobicContact CG2-CG2 4.31Å; V112-L130 HydrophobicContact CG2-CD1 4.1Å; V112-L130 HydrophobicContact CG2-CD2 3.86Å; V112-K135 PolarHBondContact N-O 3.33Å; V112-L136 HydrophobicContact CB-CB 4.41Å; V112-L136 HydrophobicContact CB-CG 4.23Å; V112-L136 HydrophobicContact CG1-CD1 4.43Å; V112-L136 HydrophobicContact CG1-CG 4.4Å; V112-I137 PolarHBondContact O-N 3.41Å; V112-L187 VanDerWaalsContact CA-O 3.29Å; V112-L187 WeakPolarHBondContact CA-O 3.41Å; V112-L187 HydrophobicContact CG1-CB 4.24Å; V112-L187 HydrophobicContact CG1-CD2 4.12Å; V112-L187 HydrophobicContact CG1-CG 4.17Å; V112-L187 HydrophobicContact CG2-CB 4.23Å; V112-L187 HydrophobicContact CG2-CD2 4.41Å
113L98.9Very high98.3Very high0 Ų022.7 Ų22.70%013%0.131CC..EExtended strand (participates in β ladder)trans-110.1129.1165.5179.559.9000109.4L115 I137 L139 M176 F185 L187 V188 F189 M204L113-L115 HydrophobicContact CD1-CD2 4.06Å; L113-L115 HydrophobicContact CD2-CD2 3.96Å; L113-L115 HydrophobicContact CD2-CG 4.45Å; L113-L115 HydrophobicContact CG-CD2 3.91Å; L113-L115 HydrophobicContact CG-CG 4.32Å; L113-I137 CarbonylContact C-O 3.52Å; L113-I137 WeakPolarHBondContact CA-O 3.44Å; L113-I137 HydrophobicContact CD1-CB 4.34Å; L113-I137 HydrophobicContact CD1-CG2 4.21Å; L113-L139 HydrophobicContact CD1-CG 4.27Å; L113-M176 HydrophobicContact CD1-CE 3.55Å; L113-M176 HydrophobicContact CD1-SD 4.46Å; L113-M176 HydrophobicContact CD2-CE 4.34Å; L113-F185 HydrophobicContact CB-CD1 3.66Å; L113-F185 HydrophobicContact CB-CD2 4.02Å; L113-F185 HydrophobicContact CB-CE1 3.71Å; L113-F185 HydrophobicContact CB-CE2 4.08Å; L113-F185 HydrophobicContact CB-CG 3.81Å; L113-F185 HydrophobicContact CB-CZ 3.92Å; L113-F185 HydrophobicContact CD1-CZ 4.3Å; L113-F185 HydrophobicContact CD2-CD2 4.11Å; L113-F185 HydrophobicContact CD2-CE2 3.85Å; L113-F185 HydrophobicContact CD2-CZ 4.24Å; L113-F185 HydrophobicContact CG-CE2 4.45Å; L113-F185 HydrophobicContact CG-CZ 4.39Å; L113-L187 PolarHBondContact N-O 2.83Å; L113-V188 HydrophobicContact CB-CG1 4.25Å; L113-V188 HydrophobicContact CB-CG2 4.27Å; L113-V188 HydrophobicContact CD2-CG1 4.29Å; L113-V188 HydrophobicContact CG-CG1 4.33Å; L113-V188 CarbonylContact O-C 3.59Å; L113-V188 VanDerWaalsContact O-CA 3.25Å; L113-V188 WeakPolarHBondContact O-CA 3.26Å; L113-F189 PolarHBondContact O-N 2.75Å; L113-M204 HydrophobicContact CD2-SD 3.82Å
114E98.9Very high98.3Very high0 Ų022.6 Ų22.60%013%0.13CC..EExtended strand (participates in β ladder)trans-112.9126.9168.8173.8178-117.700109.2S122 T123 I137 T138 L139 F189E114-S122 WeakPolarHBondContact OE1-CB 3.38Å; E114-S122 PolarHBondContact OE1-OG 3.2Å; E114-T123 PolarHBondContact OE1-N 2.95Å; E114-T123 VanDerWaalsContact OE1-N 3.14Å; E114-T123 WeakPolarHBondContact OE2-CB 3.2Å; E114-T123 PolarHBondContact OE2-OG1 3.05Å; E114-I137 PolarHBondContact N-O 3.11Å; E114-T138 WeakPolarHBondContact CG-OG1 3.49Å; E114-T138 WeakPolarHBondContact O-CA 3.44Å; E114-T138 WeakPolarHBondContact OE2-CB 3.41Å; E114-T138 PolarHBondContact OE2-OG1 3.3Å; E114-L139 PolarHBondContact O-N 2.87Å; E114-F189 HydrophobicContact CG-CD1 4.16Å
115L98.8Very high98.3Very high1 Ų123.2 Ų23.21%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-105.7104.3174.5-57.4-177.8000108.2L113 L139 I173 F189 L190 D191 H192 D200L113-L115 HydrophobicContact CD1-CD2 4.06Å; L113-L115 HydrophobicContact CD2-CD2 3.96Å; L113-L115 HydrophobicContact CD2-CG 4.45Å; L113-L115 HydrophobicContact CG-CD2 3.91Å; L113-L115 HydrophobicContact CG-CG 4.32Å; L115-L139 HydrophobicContact CD2-CB 4.43Å; L115-L139 HydrophobicContact CD2-CD1 3.65Å; L115-L139 HydrophobicContact CD2-CG 4.12Å; L115-I173 HydrophobicContact CD1-CD1 4.45Å; L115-F189 PolarHBondContact N-O 3.43Å; L115-L190 HydrophobicContact CD1-CG 4.44Å; L115-D191 CarbonylContact O-C 3.48Å; L115-D191 PolarHBondContact O-N 2.81Å; L115-H192 HydrophobicContact CB-CB 4.48Å; L115-H192 WeakPolarHBondContact CB-ND1 3.18Å; L115-H192 WeakPolarHBondContact O-CB 3.31Å; L115-H192 PolarHBondContact O-N 3.05Å; L115-H192 PolarHBondContact O-ND1 3.33Å; L115-D200 HydrophobicContact CD1-CB 4.16Å
116G98.1Very high98.3Very high14 Ų1418.9 Ų18.914%0.14411%0.105CC..  trans103.799.5-173.400000111.7L139G116-L139 WeakPolarHBondContact CA-O 3.46Å; G116-L139 PolarHBondContact N-O 2.95Å
117T98.4Very high98.4Very high3 Ų312.9 Ų12.92%0.0188%0.077CC..  trans-90.7-38.8179.6-43.10000112.5C119 A120 T123 T138 L139 E140 A149 L164T117-C119 PolarHBondContact O-N 2.87Å; T117-C119 VanDerWaalsContact O-N 3.1Å; T117-A120 HydrophobicContact CG2-CB 4.08Å; T117-A120 WeakPolarHBondContact O-CA 3.44Å; T117-A120 PolarHBondContact O-N 3.48Å; T117-T123 WeakPolarHBondContact CG2-OG1 3.49Å; T117-T138 WeakPolarHBondContact CB-OG1 3.48Å; T117-T138 HydrophobicContact CG2-CG2 3.83Å; T117-T138 PolarHBondContact OG1-OG1 2.96Å; T117-L139 PolarHBondContact N-O 3.01Å; T117-L139 PolarHBondContact OG1-O 2.96Å; T117-E140 PolarHBondContact N-OE2 2.79Å; T117-E140 WeakPolarHBondContact OG1-CB 3.26Å; T117-A149 HydrophobicContact CG2-CB 3.68Å; T117-L164 HydrophobicContact CG2-CD1 3.87Å
118Y98.1Very high98.4Very high26 Ų2613.5 Ų13.510%0.1028%0.083CC..THydrogen-bonded Turntrans48-110.9-170.7-177.1-126.6000113.1P56 A89 M90 N91 E140P56-Y118 HydrophobicContact CG-CE2 3.81Å; A89-Y118 HydrophobicContact CB-CE1 4.15Å; M90-Y118 HydrophobicContact CG-CD1 4.02Å; M90-Y118 HydrophobicContact CG-CE1 3.86Å; M90-Y118 HydrophobicContact CG-CE2 4.38Å; M90-Y118 HydrophobicContact CG-CG 4.36Å; N91-Y118 VanDerWaalsContact OD1-CD1 3.26Å; N91-Y118 WeakPolarHBondContact OD1-CD1 3.29Å; N91-Y118 WeakPolarHBondContact OD1-CE1 3.21Å; Y118-E140 WeakPolarHBondContact CA-OE2 3.27Å; Y118-E140 PolarHBondContact N-OE2 2.85Å
119C98.1Very high98.5Very high0 Ų011.8 Ų11.80%07%0.074CC..THydrogen-bonded Turntrans-98.316.6177.8-66.30000113.3L59 T117 Y121 I148L59-C119 HydrophobicContact CD1-CB 4.04Å; L59-C119 HydrophobicContact CD2-CB 3.85Å; T117-C119 PolarHBondContact O-N 2.87Å; T117-C119 VanDerWaalsContact O-N 3.1Å; C119-Y121 VanDerWaalsContact C-N 3.33Å; C119-Y121 PolarHBondContact O-N 3.28Å; C119-I148 HydrophobicContact CB-CG2 4.44Å
120A98.5Very high98.5Very high0 Ų012.1 Ų12.10%08%0.075CC..SBendtrans64.822.9179.700000116.1T117 T123 V124 A149 V152 I153T117-A120 HydrophobicContact CG2-CB 4.08Å; T117-A120 WeakPolarHBondContact O-CA 3.44Å; T117-A120 PolarHBondContact O-N 3.48Å; A120-T123 WeakPolarHBondContact CA-OG1 3.35Å; A120-V124 WeakPolarHBondContact O-CB 3.5Å; A120-V124 WeakPolarHBondContact O-CG2 3.49Å; A120-V124 PolarHBondContact O-N 2.88Å; A120-A149 HydrophobicContact CB-CB 3.82Å; A120-V152 HydrophobicContact CB-CB 4.35Å; A120-V152 HydrophobicContact CB-CG1 4.31Å; A120-I153 HydrophobicContact CB-CD1 3.99Å; A120-I153 HydrophobicContact CB-CG1 3.73Å
121Y98.7Very high98.3Very high2 Ų211.3 Ų11.31%0.0087%0.067CC..Hα-helixtrans-62.6-56.9179.3177.1-88.1000112V76 I79 D80 N91 V92 G93 C119 T123 V124 R125V76-Y121 HydrophobicContact CB-CE2 4.43Å; V76-Y121 HydrophobicContact CG1-CD2 4.48Å; V76-Y121 HydrophobicContact CG1-CE2 3.67Å; I79-Y121 HydrophobicContact CB-CD2 3.68Å; I79-Y121 HydrophobicContact CB-CE2 4.06Å; I79-Y121 HydrophobicContact CD1-CD2 3.89Å; I79-Y121 HydrophobicContact CG1-CD2 4.38Å; I79-Y121 HydrophobicContact CG2-CD2 3.42Å; I79-Y121 VanDerWaalsContact CG2-CD2 3.42Å; I79-Y121 HydrophobicContact CG2-CE2 3.96Å; I79-Y121 HydrophobicContact CG2-CG 4.33Å; D80-Y121 VanDerWaalsContact CG-OH 3.24Å; D80-Y121 VanDerWaalsContact OD1-CE2 3.27Å; D80-Y121 WeakPolarHBondContact OD1-CE2 3.41Å; D80-Y121 VanDerWaalsContact OD1-CZ 3.23Å; D80-Y121 PolarHBondContact OD1-OH 3.12Å; D80-Y121 PolarHBondContact OD2-OH 2.95Å; N91-Y121 HydrophobicContact CB-CD1 3.96Å; N91-Y121 HydrophobicContact CB-CD2 4.41Å; N91-Y121 HydrophobicContact CB-CG 3.85Å; V92-Y121 HydrophobicContact CG1-CD1 3.65Å; V92-Y121 HydrophobicContact CG1-CE1 3.46Å; V92-Y121 VanDerWaalsContact CG1-CE1 3.46Å; G93-Y121 PolarHBondContact O-OH 2.84Å; C119-Y121 VanDerWaalsContact C-N 3.33Å; C119-Y121 PolarHBondContact O-N 3.28Å; Y121-T123 VanDerWaalsContact C-N 3.33Å; Y121-V124 PolarHBondContact O-N 3.08Å; Y121-R125 VanDerWaalsContact CE1-CD 3.4Å; Y121-R125 HydrophobicContact CE1-CG 4.31Å; Y121-R125 WeakPolarHBondContact O-CG 3.33Å; Y121-R125 PolarHBondContact O-N 3.2Å; Y121-R125 VanDerWaalsContact O-N 3.1Å; Y121-R125 PolarHBondContact OH-NH1 3.05Å
122S98.6Very high98.1Very high7 Ų716 Ų165%0.04910%0.098CC..Hα-helixtrans-63.5-40176.445.40000111.2E114 V124 R125 I126E114-S122 WeakPolarHBondContact OE1-CB 3.38Å; E114-S122 PolarHBondContact OE1-OG 3.2Å; S122-V124 VanDerWaalsContact C-N 3.33Å; S122-V124 PolarHBondContact O-N 2.9Å; S122-R125 WeakPolarHBondContact O-CB 3.42Å; S122-R125 PolarHBondContact O-N 2.94Å; S122-R125 VanDerWaalsContact O-N 3.12Å; S122-I126 VanDerWaalsContact O-CG1 3.29Å; S122-I126 WeakPolarHBondContact O-CG1 3.23Å; S122-I126 PolarHBondContact O-N 3.35Å
123T98.8Very high97.8Very high0 Ų022.6 Ų22.60%013%0.129CC..Hα-helixtrans-53-49.4174.9-39.10000111.9E114 T117 A120 Y121 A127 L136 T138 I153 I162E114-T123 PolarHBondContact OE1-N 2.95Å; E114-T123 VanDerWaalsContact OE1-N 3.14Å; E114-T123 WeakPolarHBondContact OE2-CB 3.2Å; E114-T123 PolarHBondContact OE2-OG1 3.05Å; T117-T123 WeakPolarHBondContact CG2-OG1 3.49Å; A120-T123 WeakPolarHBondContact CA-OG1 3.35Å; Y121-T123 VanDerWaalsContact C-N 3.33Å; T123-A127 WeakPolarHBondContact O-CB 3.32Å; T123-A127 PolarHBondContact O-N 3.1Å; T123-L136 HydrophobicContact CG2-CD1 4.42Å; T123-L136 HydrophobicContact CG2-CD2 3.63Å; T123-T138 HydrophobicContact CG2-CG2 3.92Å; T123-I153 HydrophobicContact CG2-CD1 4.26Å; T123-I153 HydrophobicContact CG2-CG1 4.49Å; T123-I162 HydrophobicContact CG2-CD1 3.91Å; T123-I162 HydrophobicContact CG2-CG1 4.27Å; T123-I162 HydrophobicContact CG2-CG2 3.84Å
124V98.8Very high97.7Very high0 Ų022.8 Ų22.80%013%0.13CC..Hα-helixtrans-66.6-41.3179.1170.20000110.7P72 V75 V76 A120 Y121 S122 S128 V152 A156 L158P72-V124 HydrophobicContact CB-CG1 3.83Å; V75-V124 HydrophobicContact CG1-CG1 4.39Å; V76-V124 HydrophobicContact CG2-CB 4.43Å; V76-V124 HydrophobicContact CG2-CG1 3.83Å; A120-V124 WeakPolarHBondContact O-CB 3.5Å; A120-V124 WeakPolarHBondContact O-CG2 3.49Å; A120-V124 PolarHBondContact O-N 2.88Å; Y121-V124 PolarHBondContact O-N 3.08Å; S122-V124 VanDerWaalsContact C-N 3.33Å; S122-V124 PolarHBondContact O-N 2.9Å; V124-S128 VanDerWaalsContact O-CB 3.24Å; V124-S128 WeakPolarHBondContact O-CB 3.41Å; V124-S128 PolarHBondContact O-N 2.96Å; V124-S128 PolarHBondContact O-OG 2.95Å; V124-V152 HydrophobicContact CG2-CG1 4.2Å; V124-A156 HydrophobicContact CG1-CB 4.01Å; V124-A156 HydrophobicContact CG2-CB 3.93Å; V124-L158 HydrophobicContact CB-CD1 4.4Å; V124-L158 HydrophobicContact CG1-CD1 4.01Å; V124-L158 HydrophobicContact CG2-CD1 4.45Å
125R98.5Very high97.6Very high15 Ų1528.2 Ų28.26%0.05715%0.154CC..Hα-helixtrans-58.1-55.5176.1-71.5-17379.7135.46111.4V76 G93 G97 D101 Y121 S122 S128V76-R125 HydrophobicContact CB-CG 4.49Å; V76-R125 HydrophobicContact CG1-CG 3.97Å; V76-R125 HydrophobicContact CG2-CG 3.63Å; G93-R125 PolarHBondContact O-NH1 2.84Å; G97-R125 PolarHBondContact O-NH2 2.98Å; G97-R125 VanDerWaalsContact O-NH2 3.13Å; D101-R125 IonicContact OD1-CZ 2.97Å; D101-R125 IonicContact OD1-NE 3.87Å; D101-R125 PolarHBondContact OD1-NE 3.46Å; D101-R125 VanDerWaalsContact OD1-NE 3.08Å; D101-R125 IonicContact OD1-NH2 2.83Å; D101-R125 IonicContact OD2-CZ 2.77Å; D101-R125 IonicContact OD2-NE 3.17Å; D101-R125 PolarHBondContact OD2-NE 3.04Å; D101-R125 IonicContact OD2-NH2 4Å; D101-R125 PolarHBondContact OD2-NH2 3.32Å; Y121-R125 VanDerWaalsContact CE1-CD 3.4Å; Y121-R125 HydrophobicContact CE1-CG 4.31Å; Y121-R125 WeakPolarHBondContact O-CG 3.33Å; Y121-R125 PolarHBondContact O-N 3.2Å; Y121-R125 VanDerWaalsContact O-N 3.1Å; Y121-R125 PolarHBondContact OH-NH1 3.05Å; S122-R125 WeakPolarHBondContact O-CB 3.42Å; S122-R125 PolarHBondContact O-N 2.94Å; S122-R125 VanDerWaalsContact O-N 3.12Å; R125-S128 PolarHBondContact O-N 3.41Å; R125-S128 PolarHBondContact O-OG 2.92Å
126I98.8Very high97.6Very high0 Ų028.2 Ų28.20%015%0.153CC..Hα-helixtrans-58.7-56.3-179.6-61.6165.6000109.8L100 V104 V112 S122 S128 L129 L130 L136 F189L100-I126 HydrophobicContact CD1-CD1 4.14Å; L100-I126 HydrophobicContact CD1-CG1 3.95Å; L100-I126 HydrophobicContact CD2-CD1 4.22Å; L100-I126 HydrophobicContact CD2-CG1 3.89Å; L100-I126 HydrophobicContact CG-CG1 4.07Å; V104-I126 HydrophobicContact CG1-CG2 4.36Å; V104-I126 HydrophobicContact CG2-CB 4.41Å; V104-I126 HydrophobicContact CG2-CG1 4.1Å; V104-I126 HydrophobicContact CG2-CG2 4.02Å; V112-I126 HydrophobicContact CG1-CG2 4.11Å; V112-I126 HydrophobicContact CG2-CG2 4.31Å; S122-I126 VanDerWaalsContact O-CG1 3.29Å; S122-I126 WeakPolarHBondContact O-CG1 3.23Å; S122-I126 PolarHBondContact O-N 3.35Å; I126-S128 PolarHBondContact O-N 3.42Å; I126-S128 VanDerWaalsContact O-N 3.16Å; I126-L129 PolarHBondContact O-N 3.43Å; I126-L130 HydrophobicContact CG2-CD1 4.41Å; I126-L130 HydrophobicContact CG2-CD2 4.28Å; I126-L130 HydrophobicContact CG2-CG 4.33Å; I126-L130 WeakPolarHBondContact O-CG 3.46Å; I126-L130 PolarHBondContact O-N 3.19Å; I126-L136 HydrophobicContact CB-CD1 3.68Å; I126-L136 HydrophobicContact CD1-CD1 4.42Å; I126-L136 HydrophobicContact CG2-CD1 3.48Å; I126-L136 VanDerWaalsContact CG2-CD1 3.48Å; I126-F189 HydrophobicContact CD1-CB 4.13Å; I126-F189 HydrophobicContact CD1-CD1 4.13Å; I126-F189 HydrophobicContact CD1-CG 4.25Å
127A98.6Very high97.7Very high0 Ų027.6 Ų27.60%015%0.147CC..Hα-helixtrans-61.9-28-174.400000113.7T123 L129 L130 L136 L158 I162T123-A127 WeakPolarHBondContact O-CB 3.32Å; T123-A127 PolarHBondContact O-N 3.1Å; A127-L129 PolarHBondContact O-N 3.35Å; A127-L130 PolarHBondContact O-N 3.02Å; A127-L136 HydrophobicContact CB-CD1 4.23Å; A127-L158 HydrophobicContact CB-CD1 4.01Å; A127-I162 HydrophobicContact CB-CD1 3.59Å; A127-I162 HydrophobicContact CB-CG1 3.68Å
128S98.1Very high97.7Very high50 Ų5027.5 Ų27.535%0.3515%0.146SC..Hα-helixtrans-67.8-20.217677.10000114V124 R125 I126V124-S128 VanDerWaalsContact O-CB 3.24Å; V124-S128 WeakPolarHBondContact O-CB 3.41Å; V124-S128 PolarHBondContact O-N 2.96Å; V124-S128 PolarHBondContact O-OG 2.95Å; R125-S128 PolarHBondContact O-N 3.41Å; R125-S128 PolarHBondContact O-OG 2.92Å; I126-S128 PolarHBondContact O-N 3.42Å; I126-S128 VanDerWaalsContact O-N 3.16Å
129L98.3Very high97.7Very high65 Ų6526.5 Ų26.534%0.3414%0.142SC..Hα-helixtrans-101.1-10.3-179.6-60.3173.6000112.7D101 V104 I126 A127D101-L129 HydrophobicContact CB-CD1 3.64Å; V104-L129 HydrophobicContact CB-CD1 4.22Å; V104-L129 HydrophobicContact CG1-CB 3.78Å; V104-L129 HydrophobicContact CG1-CD1 4.29Å; I126-L129 PolarHBondContact O-N 3.43Å; A127-L129 PolarHBondContact O-N 3.35Å
130L98Very high97.7Very high10 Ų1026.8 Ų26.85%0.05214%0.144CC..SBendtrans-74140.8-176.8-68-172.3000112.8V104 P109 V112 I126 A127 A134 L136 K161V104-L130 HydrophobicContact CG1-CD2 4.04Å; P109-L130 HydrophobicContact CG-CD2 3.66Å; V112-L130 HydrophobicContact CG2-CD1 4.1Å; V112-L130 HydrophobicContact CG2-CD2 3.86Å; I126-L130 HydrophobicContact CG2-CD1 4.41Å; I126-L130 HydrophobicContact CG2-CD2 4.28Å; I126-L130 HydrophobicContact CG2-CG 4.33Å; I126-L130 WeakPolarHBondContact O-CG 3.46Å; I126-L130 PolarHBondContact O-N 3.19Å; A127-L130 PolarHBondContact O-N 3.02Å; L130-A134 HydrophobicContact CB-CB 3.94Å; L130-A134 HydrophobicContact CD1-CB 4.27Å; L130-A134 HydrophobicContact CD2-CB 4.46Å; L130-A134 HydrophobicContact CG-CB 4.44Å; L130-L136 HydrophobicContact CD1-CB 3.93Å; L130-L136 HydrophobicContact CD1-CD1 4.43Å; L130-K161 PolarHBondContact O-NZ 2.79Å
131P94.1Very high97.6Very high21 Ų2134.1 Ų34.114%0.13618%0.176CC..  trans-64159.6175.428.7-34.6000111.2H133 A134 K161P131-H133 PolarHBondContact O-N 3.41Å; P131-H133 VanDerWaalsContact O-N 3.07Å; P131-A134 HydrophobicContact CG-CB 3.73Å; P131-A134 WeakPolarHBondContact O-CB 3.35Å; P131-A134 PolarHBondContact O-N 2.84Å; P131-K161 VanDerWaalsContact C-NZ 3.28Å; P131-K161 PolarHBondContact O-NZ 3.43Å
132P93.4Very high97.6Very high123 Ų12336.2 Ų36.280%0.79919%0.187SC*.THydrogen-bonded Turntrans-52.5-33.4-174.4-30.636.8000115.8
133H93.5Very high97.5Very high138 Ų13839.1 Ų39.164%0.63921%0.206SC*.THydrogen-bonded Turntrans-87-9.7-177.761.5-90.7000114.1P131P131-H133 PolarHBondContact O-N 3.41Å; P131-H133 VanDerWaalsContact O-N 3.07Å
134A97.3Very high97.4Very high3 Ų346.1 Ų46.13%0.02524%0.238CC..  trans-77.9151.7-176.500000112.1P109 A110 L130 P131P109-A134 VanDerWaalsContact O-CB 3.32Å; P109-A134 WeakPolarHBondContact O-CB 3.43Å; A110-A134 CarbonylContact O-C 3.59Å; A110-A134 WeakPolarHBondContact O-CA 3.33Å; A110-A134 WeakPolarHBondContact O-CB 3.4Å; L130-A134 HydrophobicContact CB-CB 3.94Å; L130-A134 HydrophobicContact CD1-CB 4.27Å; L130-A134 HydrophobicContact CD2-CB 4.46Å; L130-A134 HydrophobicContact CG-CB 4.44Å; P131-A134 HydrophobicContact CG-CB 3.73Å; P131-A134 WeakPolarHBondContact O-CB 3.35Å; P131-A134 PolarHBondContact O-N 2.84Å
135K96.8Very high97.3Very high115 Ų11547.4 Ų47.450%0.525%0.245SC..EExtended strand (participates in β ladder)trans-121.7138.4179.3-66.6-175.1178.5-177.80110.8A110 V112A110-K135 PolarHBondContact O-N 3.19Å; V112-K135 PolarHBondContact N-O 3.33Å
136L98.8Very high97.3Very high0 Ų046.7 Ų46.70%024%0.243CC..EExtended strand (participates in β ladder)trans-113.8121.4170.4-173.8154.1000109V112 T123 I126 A127 L130 T138 K161 I162 Q163V112-L136 HydrophobicContact CB-CB 4.41Å; V112-L136 HydrophobicContact CB-CG 4.23Å; V112-L136 HydrophobicContact CG1-CD1 4.43Å; V112-L136 HydrophobicContact CG1-CG 4.4Å; T123-L136 HydrophobicContact CG2-CD1 4.42Å; T123-L136 HydrophobicContact CG2-CD2 3.63Å; I126-L136 HydrophobicContact CB-CD1 3.68Å; I126-L136 HydrophobicContact CD1-CD1 4.42Å; I126-L136 HydrophobicContact CG2-CD1 3.48Å; I126-L136 VanDerWaalsContact CG2-CD1 3.48Å; A127-L136 HydrophobicContact CB-CD1 4.23Å; L130-L136 HydrophobicContact CD1-CB 3.93Å; L130-L136 HydrophobicContact CD1-CD1 4.43Å; L136-T138 HydrophobicContact CD2-CG2 4.1Å; L136-K161 PolarHBondContact N-O 2.87Å; L136-I162 HydrophobicContact CB-CG1 4.41Å; L136-I162 HydrophobicContact CD2-CG1 4.4Å; L136-I162 HydrophobicContact CD2-CG2 4.05Å; L136-I162 CarbonylContact O-C 3.18Å; L136-I162 WeakPolarHBondContact O-CA 3.05Å; L136-Q163 PolarHBondContact O-N 3.24Å
137I98.8Very high97.3Very high2 Ų248.7 Ų48.71%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-102.3127.5169-59.4171.3000107.1V112 L113 E114 L139 Q163 V165 M176 F180 I182 F185V112-I137 PolarHBondContact O-N 3.41Å; L113-I137 CarbonylContact C-O 3.52Å; L113-I137 WeakPolarHBondContact CA-O 3.44Å; L113-I137 HydrophobicContact CD1-CB 4.34Å; L113-I137 HydrophobicContact CD1-CG2 4.21Å; E114-I137 PolarHBondContact N-O 3.11Å; I137-L139 HydrophobicContact CG2-CD2 4.31Å; I137-Q163 WeakPolarHBondContact CA-O 3.37Å; I137-Q163 HydrophobicContact CG1-CB 4.43Å; I137-V165 HydrophobicContact CG2-CG2 4.2Å; I137-M176 HydrophobicContact CD1-SD 4.41Å; I137-M176 HydrophobicContact CG2-CE 4.35Å; I137-M176 HydrophobicContact CG2-SD 4.29Å; I137-F180 HydrophobicContact CD1-CB 3.54Å; I137-F180 HydrophobicContact CD1-CD1 4.08Å; I137-F180 HydrophobicContact CD1-CD2 3.76Å; I137-F180 HydrophobicContact CD1-CG 3.51Å; I137-F180 HydrophobicContact CG1-CG 4.48Å; I137-I182 HydrophobicContact CD1-CG1 3.84Å; I137-F185 HydrophobicContact CD1-CE1 4.06Å; I137-F185 HydrophobicContact CD1-CZ 4.15Å
138T98.8Very high97.3Very high0 Ų049.3 Ų49.30%026%0.262CS..EExtended strand (participates in β ladder)trans-125.6135178.4-173.80000110.7E114 T117 T123 L136 I162 Q163 L164 V165E114-T138 WeakPolarHBondContact CG-OG1 3.49Å; E114-T138 WeakPolarHBondContact O-CA 3.44Å; E114-T138 WeakPolarHBondContact OE2-CB 3.41Å; E114-T138 PolarHBondContact OE2-OG1 3.3Å; T117-T138 WeakPolarHBondContact CB-OG1 3.48Å; T117-T138 HydrophobicContact CG2-CG2 3.83Å; T117-T138 PolarHBondContact OG1-OG1 2.96Å; T123-T138 HydrophobicContact CG2-CG2 3.92Å; L136-T138 HydrophobicContact CD2-CG2 4.1Å; T138-I162 HydrophobicContact CG2-CG2 4.04Å; T138-Q163 PolarHBondContact N-O 3.47Å; T138-L164 HydrophobicContact CG2-CB 3.9Å; T138-L164 HydrophobicContact CG2-CD1 4.37Å; T138-L164 HydrophobicContact CG2-CG 3.96Å; T138-L164 WeakPolarHBondContact O-CA 3.33Å; T138-V165 PolarHBondContact O-N 3.17Å
139L98.8Very high97.4Very high5 Ų546.9 Ų46.93%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-107.4128-178-56.5-169.5000111.2L113 E114 L115 G116 T117 I137 V165 W172 M176L113-L139 HydrophobicContact CD1-CG 4.27Å; E114-L139 PolarHBondContact O-N 2.87Å; L115-L139 HydrophobicContact CD2-CB 4.43Å; L115-L139 HydrophobicContact CD2-CD1 3.65Å; L115-L139 HydrophobicContact CD2-CG 4.12Å; G116-L139 WeakPolarHBondContact CA-O 3.46Å; G116-L139 PolarHBondContact N-O 2.95Å; T117-L139 PolarHBondContact N-O 3.01Å; T117-L139 PolarHBondContact OG1-O 2.96Å; I137-L139 HydrophobicContact CG2-CD2 4.31Å; L139-V165 WeakPolarHBondContact CA-O 3.35Å; L139-V165 HydrophobicContact CD2-CB 3.61Å; L139-V165 HydrophobicContact CD2-CG1 4.12Å; L139-V165 HydrophobicContact CD2-CG2 4.18Å; L139-W172 HydrophobicContact CD1-CB 3.79Å; L139-W172 HydrophobicContact CD2-CB 4.18Å; L139-W172 HydrophobicContact CD2-CG 4.39Å; L139-M176 HydrophobicContact CD1-CE 3.72Å; L139-M176 HydrophobicContact CD2-CE 3.92Å; L139-M176 HydrophobicContact CG-CE 4.11Å
140E98.4Very high97.4Very high7 Ų748.5 Ų48.53%0.03325%0.247CC..EExtended strand (participates in β ladder)trans-130120.7174.217850.1-11700110.4T117 Y118 N142 N145 A146 V165 E166 G167T117-E140 PolarHBondContact N-OE2 2.79Å; T117-E140 WeakPolarHBondContact OG1-CB 3.26Å; Y118-E140 WeakPolarHBondContact CA-OE2 3.27Å; Y118-E140 PolarHBondContact N-OE2 2.85Å; E140-N142 WeakPolarHBondContact CG-O 3.45Å; E140-N142 WeakPolarHBondContact OE1-CA 3.44Å; E140-N142 VanDerWaalsContact OE1-CB 3.26Å; E140-N142 WeakPolarHBondContact OE1-CB 3.21Å; E140-N142 PolarHBondContact OE1-N 2.79Å; E140-N145 HydrophobicContact CG-CB 3.89Å; E140-A146 HydrophobicContact CB-CB 4.09Å; E140-A146 HydrophobicContact CG-CB 3.82Å; E140-V165 PolarHBondContact N-O 2.6Å; E140-E166 CarbonylContact O-C 3.58Å; E140-E166 VanDerWaalsContact O-CA 3.27Å; E140-E166 WeakPolarHBondContact O-CA 3.27Å; E140-G167 PolarHBondContact O-N 3.21Å
141F96.8Very high97.4Very high153 Ų15352.2 Ų52.267%0.67126%0.264SS*.SBendtrans-80.1-28.2-17885.1-82.8000112.6P143 G167F141-P143 WeakPolarHBondContact O-CD 3.46Å; F141-G167 WeakPolarHBondContact CA-O 3.46Å
142N96.8Very high97.6Very high46 Ų4651.2 Ų51.225%0.24626%0.258CS..  trans-89.2113.7-178.1-175.4-45.8000110.4E140 H144 N145 A146E140-N142 WeakPolarHBondContact CG-O 3.45Å; E140-N142 WeakPolarHBondContact OE1-CA 3.44Å; E140-N142 VanDerWaalsContact OE1-CB 3.26Å; E140-N142 WeakPolarHBondContact OE1-CB 3.21Å; E140-N142 PolarHBondContact OE1-N 2.79Å; N142-H144 PolarHBondContact O-N 3.2Å; N142-H144 WeakPolarHBondContact OD1-CA 3.33Å; N142-H144 VanDerWaalsContact OD1-CB 3.31Å; N142-H144 WeakPolarHBondContact OD1-CB 3.16Å; N142-H144 PolarHBondContact OD1-N 2.92Å; N142-N145 HydrophobicContact CB-CB 4.13Å; N142-N145 PolarHBondContact O-N 2.81Å; N142-N145 VanDerWaalsContact O-N 3.12Å; N142-N145 PolarHBondContact OD1-N 2.87Å; N142-A146 PolarHBondContact O-N 3.36Å
143P97.2Very high97.9Very high68 Ų6845.8 Ų45.844%0.44222%0.222SC..Hα-helixtrans-63.7-27.4-175.525.6-34.9000113.3F141 A147F141-P143 WeakPolarHBondContact O-CD 3.46Å; P143-A147 WeakPolarHBondContact O-CB 3.41Å; P143-A147 PolarHBondContact O-N 2.77Å
144H96.8Very high98.1Very high147 Ų14742 Ų4268%0.68122%0.215SC*.Hα-helixtrans-70-43175.9-61.4-67.1000111.6N142 A147 I148N142-H144 PolarHBondContact O-N 3.2Å; N142-H144 WeakPolarHBondContact OD1-CA 3.33Å; N142-H144 VanDerWaalsContact OD1-CB 3.31Å; N142-H144 WeakPolarHBondContact OD1-CB 3.16Å; N142-H144 PolarHBondContact OD1-N 2.92Å; H144-A147 PolarHBondContact O-N 3.4Å; H144-I148 WeakPolarHBondContact O-CG1 3.25Å; H144-I148 PolarHBondContact O-N 3.43Å
145N97.5Very high98.2Very high27 Ų2744.7 Ų44.714%0.14422%0.224CC..Hα-helixtrans-64.6-43.9174.4-69-15.3000110.5E140 N142 A147 I148 A149E140-N145 HydrophobicContact CG-CB 3.89Å; N142-N145 HydrophobicContact CB-CB 4.13Å; N142-N145 PolarHBondContact O-N 2.81Å; N142-N145 VanDerWaalsContact O-N 3.12Å; N142-N145 PolarHBondContact OD1-N 2.87Å; N145-A147 VanDerWaalsContact C-N 3.28Å; N145-A147 PolarHBondContact O-N 3.03Å; N145-I148 CarbonylContact O-C 3.24Å; N145-I148 WeakPolarHBondContact O-CA 3.47Å; N145-I148 WeakPolarHBondContact O-CB 3.38Å; N145-I148 PolarHBondContact O-N 3.49Å; N145-A149 WeakPolarHBondContact O-CB 3.39Å; N145-A149 PolarHBondContact O-N 2.85Å
146A98.5Very high98.3Very high0 Ų039.2 Ų39.20%020%0.201CC..Hα-helixtrans-57.6-40.2176.200000112.4E140 N142 I148 R150 L164 E166E140-A146 HydrophobicContact CB-CB 4.09Å; E140-A146 HydrophobicContact CG-CB 3.82Å; N142-A146 PolarHBondContact O-N 3.36Å; A146-I148 VanDerWaalsContact C-N 3.34Å; A146-R150 WeakPolarHBondContact O-CG 3.39Å; A146-R150 PolarHBondContact O-N 2.99Å; A146-R150 PolarHBondContact O-NH1 3.34Å; A146-R150 VanDerWaalsContact O-NH1 3.12Å; A146-L164 HydrophobicContact CB-CD2 3.81Å; A146-E166 HydrophobicContact CB-CG 3.4Å; A146-E166 VanDerWaalsContact CB-CG 3.4Å; A146-E166 WeakPolarHBondContact CB-OE1 3.44Å
147A98.5Very high98.2Very high43 Ų4341.7 Ų41.736%0.35523%0.226SC..Hα-helixtrans-65.1-35.7175.600000112.8P143 H144 N145 Q151P143-A147 WeakPolarHBondContact O-CB 3.41Å; P143-A147 PolarHBondContact O-N 2.77Å; H144-A147 PolarHBondContact O-N 3.4Å; N145-A147 VanDerWaalsContact C-N 3.28Å; N145-A147 PolarHBondContact O-N 3.03Å; A147-Q151 PolarHBondContact O-NE2 3.4Å; A147-Q151 VanDerWaalsContact O-NE2 3.14Å
148I98.6Very high98.2Very high12 Ų1242.4 Ų42.46%0.06223%0.23CC..Hα-helixtrans-71.1-49.7174.4-66.6-63000110.9P56 Q57 L60 C119 H144 N145 A146 R150 Q151 V152P56-I148 HydrophobicContact CB-CB 4.29Å; P56-I148 HydrophobicContact CB-CG1 3.87Å; P56-I148 HydrophobicContact CB-CG2 4.11Å; Q57-I148 HydrophobicContact CG-CD1 3.91Å; L60-I148 HydrophobicContact CB-CD1 4.27Å; L60-I148 HydrophobicContact CB-CG2 4.08Å; L60-I148 HydrophobicContact CD2-CD1 3.65Å; C119-I148 HydrophobicContact CB-CG2 4.44Å; H144-I148 WeakPolarHBondContact O-CG1 3.25Å; H144-I148 PolarHBondContact O-N 3.43Å; N145-I148 CarbonylContact O-C 3.24Å; N145-I148 WeakPolarHBondContact O-CA 3.47Å; N145-I148 WeakPolarHBondContact O-CB 3.38Å; N145-I148 PolarHBondContact O-N 3.49Å; A146-I148 VanDerWaalsContact C-N 3.34Å; I148-R150 VanDerWaalsContact C-N 3.31Å; I148-R150 PolarHBondContact O-N 3.44Å; I148-Q151 WeakPolarHBondContact O-CB 3.27Å; I148-Q151 PolarHBondContact O-N 3.39Å; I148-V152 HydrophobicContact CG2-CG2 4.38Å; I148-V152 PolarHBondContact O-N 3.06Å
149A98.7Very high98Very high0 Ų044.4 Ų44.40%025%0.251CS..Hα-helixtrans-53-45.5177.700000112.1T117 A120 N145 Q151 V152 I153 L164T117-A149 HydrophobicContact CG2-CB 3.68Å; A120-A149 HydrophobicContact CB-CB 3.82Å; N145-A149 WeakPolarHBondContact O-CB 3.39Å; N145-A149 PolarHBondContact O-N 2.85Å; A149-Q151 VanDerWaalsContact C-N 3.28Å; A149-Q151 PolarHBondContact O-N 3.47Å; A149-V152 PolarHBondContact O-N 3.47Å; A149-I153 WeakPolarHBondContact O-CB 3.39Å; A149-I153 WeakPolarHBondContact O-CD1 3.44Å; A149-I153 WeakPolarHBondContact O-CG1 3.33Å; A149-I153 PolarHBondContact O-N 3.27Å; A149-L164 HydrophobicContact CB-CD1 3.47Å; A149-L164 VanDerWaalsContact CB-CD1 3.47Å
150R98.8Very high97.9Very high98 Ų9852.6 Ų52.637%0.3729%0.294SS..Hα-helixtrans-57-40.4175.7-75.2-174.5-164.991.3-9.5113A146 I148 A154 L164 E166A146-R150 WeakPolarHBondContact O-CG 3.39Å; A146-R150 PolarHBondContact O-N 2.99Å; A146-R150 PolarHBondContact O-NH1 3.34Å; A146-R150 VanDerWaalsContact O-NH1 3.12Å; I148-R150 VanDerWaalsContact C-N 3.31Å; I148-R150 PolarHBondContact O-N 3.44Å; R150-A154 VanDerWaalsContact O-CB 3.27Å; R150-A154 WeakPolarHBondContact O-CB 3.35Å; R150-A154 PolarHBondContact O-N 3.42Å; R150-L164 HydrophobicContact CG-CD1 4.08Å; R150-L164 HydrophobicContact CG-CD2 4.48Å; R150-E166 IonicContact CZ-OE1 2.96Å; R150-E166 IonicContact NH1-OE1 3.28Å; R150-E166 PolarHBondContact NH1-OE1 3.16Å; R150-E166 VanDerWaalsContact NH2-CD 3.31Å; R150-E166 IonicContact NH2-OE1 3.03Å; R150-E166 PolarHBondContact NH2-OE1 3.13Å
151Q98.7Very high97.7Very high88 Ų8854.4 Ų54.441%0.41130%0.302SS..Hα-helixtrans-70.6-39.6178.8-69.2176.67900111.6L60 A147 I148 A149 A154 W155L60-Q151 HydrophobicContact CD1-CB 3.8Å; L60-Q151 HydrophobicContact CD2-CB 3.81Å; L60-Q151 HydrophobicContact CD2-CG 4.33Å; L60-Q151 HydrophobicContact CG-CB 4.49Å; A147-Q151 PolarHBondContact O-NE2 3.4Å; A147-Q151 VanDerWaalsContact O-NE2 3.14Å; I148-Q151 WeakPolarHBondContact O-CB 3.27Å; I148-Q151 PolarHBondContact O-N 3.39Å; A149-Q151 VanDerWaalsContact C-N 3.28Å; A149-Q151 PolarHBondContact O-N 3.47Å; Q151-A154 PolarHBondContact O-N 3.01Å; Q151-W155 WeakPolarHBondContact O-CB 3.47Å; Q151-W155 PolarHBondContact O-N 2.8Å
152V98.8Very high97.8Very high0 Ų048 Ų480%028%0.275CS..Hα-helixtrans-63.1-46.3174.1175.60000110.8L60 V75 I79 A120 V124 I148 A149 A154 W155 A156L60-V152 HydrophobicContact CD1-CG2 3.74Å; V75-V152 HydrophobicContact CG1-CG1 3.77Å; I79-V152 HydrophobicContact CD1-CG1 4.33Å; A120-V152 HydrophobicContact CB-CB 4.35Å; A120-V152 HydrophobicContact CB-CG1 4.31Å; V124-V152 HydrophobicContact CG2-CG1 4.2Å; I148-V152 HydrophobicContact CG2-CG2 4.38Å; I148-V152 PolarHBondContact O-N 3.06Å; A149-V152 PolarHBondContact O-N 3.47Å; V152-A154 PolarHBondContact O-N 3.42Å; V152-W155 WeakPolarHBondContact O-CB 3.41Å; V152-W155 PolarHBondContact O-N 3.37Å; V152-W155 VanDerWaalsContact O-N 3.17Å; V152-A156 PolarHBondContact O-N 3.45Å
153I98.8Very high97.8Very high10 Ų1050.1 Ų50.15%0.05128%0.283CS..Hα-helixtrans-59.3-46.8176.9-70160.9000111.1A120 T123 A149 W155 A156 G157 L158 I162 L164A120-I153 HydrophobicContact CB-CD1 3.99Å; A120-I153 HydrophobicContact CB-CG1 3.73Å; T123-I153 HydrophobicContact CG2-CD1 4.26Å; T123-I153 HydrophobicContact CG2-CG1 4.49Å; A149-I153 WeakPolarHBondContact O-CB 3.39Å; A149-I153 WeakPolarHBondContact O-CD1 3.44Å; A149-I153 WeakPolarHBondContact O-CG1 3.33Å; A149-I153 PolarHBondContact O-N 3.27Å; I153-W155 VanDerWaalsContact C-N 3.31Å; I153-W155 PolarHBondContact O-N 3.16Å; I153-A156 PolarHBondContact O-N 3.39Å; I153-G157 PolarHBondContact O-N 3.25Å; I153-G157 VanDerWaalsContact O-N 3.16Å; I153-L158 PolarHBondContact O-N 3.18Å; I153-I162 HydrophobicContact CB-CD1 4.49Å; I153-I162 HydrophobicContact CD1-CG2 3.85Å; I153-I162 HydrophobicContact CG1-CD1 4.08Å; I153-I162 HydrophobicContact CG2-CB 4.24Å; I153-I162 HydrophobicContact CG2-CD1 3.74Å; I153-I162 HydrophobicContact CG2-CG2 4.48Å; I153-L164 HydrophobicContact CD1-CB 4.48Å; I153-L164 HydrophobicContact CD1-CD1 3.9Å
154A98.6Very high97.9Very high59 Ų5948.1 Ų48.149%0.48827%0.269SS..Hα-helixtrans-64.2-37176.900000111.8R150 Q151 V152 G157R150-A154 VanDerWaalsContact O-CB 3.27Å; R150-A154 WeakPolarHBondContact O-CB 3.35Å; R150-A154 PolarHBondContact O-N 3.42Å; Q151-A154 PolarHBondContact O-N 3.01Å; V152-A154 PolarHBondContact O-N 3.42Å; A154-G157 PolarHBondContact O-N 2.81Å
155W98.7Very high98Very high58 Ų5841.7 Ų41.722%0.2224%0.24CC..Hα-helixtrans-66.2-38.2175.1-160.4-85.8000112.1V63 Q64 A67 R69 G70 Q151 V152 I153 G157V63-W155 HydrophobicContact CG1-CB 4.46Å; V63-W155 HydrophobicContact CG1-CG 4.13Å; Q64-W155 HydrophobicContact CB-CE3 4.44Å; Q64-W155 HydrophobicContact CB-CH2 3.84Å; Q64-W155 HydrophobicContact CB-CZ2 4.11Å; Q64-W155 HydrophobicContact CB-CZ3 4.03Å; Q64-W155 HydrophobicContact CG-CD2 4.11Å; Q64-W155 HydrophobicContact CG-CE3 3.72Å; Q64-W155 HydrophobicContact CG-CH2 4Å; Q64-W155 HydrophobicContact CG-CZ2 4.4Å; Q64-W155 HydrophobicContact CG-CZ3 3.64Å; Q64-W155 VanDerWaalsContact O-CZ2 3.24Å; Q64-W155 WeakPolarHBondContact O-CZ2 3.28Å; A67-W155 PolarHBondContact O-NE1 2.99Å; R69-W155 WeakPolarHBondContact CA-O 3.36Å; R69-W155 HydrophobicContact CB-CZ2 4.43Å; R69-W155 HydrophobicContact CG-CD2 4.39Å; G70-W155 PolarHBondContact N-O 3.39Å; Q151-W155 WeakPolarHBondContact O-CB 3.47Å; Q151-W155 PolarHBondContact O-N 2.8Å; V152-W155 WeakPolarHBondContact O-CB 3.41Å; V152-W155 PolarHBondContact O-N 3.37Å; V152-W155 VanDerWaalsContact O-N 3.17Å; I153-W155 VanDerWaalsContact C-N 3.31Å; I153-W155 PolarHBondContact O-N 3.16Å; W155-G157 PolarHBondContact O-N 2.75Å
156A98.6Very high98Very high1 Ų144.1 Ų44.11%0.00825%0.25CS..Hα-helixtrans-70.4-14.8175.600000113.4G70 P72 V75 V124 V152 I153 L158G70-A156 CarbonylContact C-O 3.47Å; P72-A156 WeakPolarHBondContact CD-O 3.49Å; P72-A156 HydrophobicContact CG-CB 4.46Å; P72-A156 WeakPolarHBondContact CG-O 3.25Å; V75-A156 HydrophobicContact CB-CB 4.48Å; V75-A156 HydrophobicContact CG2-CB 4.07Å; V124-A156 HydrophobicContact CG1-CB 4.01Å; V124-A156 HydrophobicContact CG2-CB 3.93Å; V152-A156 PolarHBondContact O-N 3.45Å; I153-A156 PolarHBondContact O-N 3.39Å; A156-L158 HydrophobicContact CB-CD1 4.03Å; A156-L158 HydrophobicContact CB-CG 4.24Å
157G98.1Very high98Very high52 Ų5245.1 Ų45.154%0.53626%0.26SS..THydrogen-bonded Turntrans74.227.2-17900000113.9I153 A154 W155I153-G157 PolarHBondContact O-N 3.25Å; I153-G157 VanDerWaalsContact O-N 3.16Å; A154-G157 PolarHBondContact O-N 2.81Å; W155-G157 PolarHBondContact O-N 2.75Å
158L97.9Very high97.9Very high17 Ų1745.1 Ų45.19%0.08926%0.26CS..  trans-109.412-174.4-67170.4000114P72 V124 A127 I153 A156 D160 K161 I162P72-L158 HydrophobicContact CB-CD1 3.97Å; P72-L158 HydrophobicContact CG-CD1 3.72Å; P72-L158 HydrophobicContact CG-CD2 4Å; P72-L158 HydrophobicContact CG-CG 3.86Å; V124-L158 HydrophobicContact CB-CD1 4.4Å; V124-L158 HydrophobicContact CG1-CD1 4.01Å; V124-L158 HydrophobicContact CG2-CD1 4.45Å; A127-L158 HydrophobicContact CB-CD1 4.01Å; I153-L158 PolarHBondContact O-N 3.18Å; A156-L158 HydrophobicContact CB-CD1 4.03Å; A156-L158 HydrophobicContact CB-CG 4.24Å; L158-D160 PolarHBondContact O-N 3.33Å; L158-D160 VanDerWaalsContact O-N 3.17Å; L158-K161 HydrophobicContact CD2-CD 4.31Å; L158-K161 PolarHBondContact O-N 3.4Å; L158-K161 VanDerWaalsContact O-N 3.11Å; L158-I162 HydrophobicContact CB-CD1 3.61Å; L158-I162 HydrophobicContact CB-CG1 4.48Å; L158-I162 HydrophobicContact CD1-CD1 4.43Å; L158-I162 PolarHBondContact O-N 2.99Å
159G95.2Very high97.9Very high42 Ų4245.2 Ų45.243%0.43326%0.262SS..THydrogen-bonded Turntrans-56.8-33-173.600000114.6K161 I162G159-K161 VanDerWaalsContact C-N 3.27Å; G159-K161 PolarHBondContact O-N 3.14Å; G159-I162 PolarHBondContact O-N 2.95Å
160D95Very high97.8Very high176 Ų17646 Ų4694%0.94127%0.271SS*.THydrogen-bonded Turntrans-72.2-20.5-177.9-60-27.3000113.5L158L158-D160 PolarHBondContact O-N 3.33Å; L158-D160 VanDerWaalsContact O-N 3.17Å
161K95.1Very high97.8Very high46 Ų4646.2 Ų46.220%0.228%0.279CS..THydrogen-bonded Turntrans-96.5-21.4-179.7-72.4171.6176.4-88.30113.2L130 P131 L136 L158 G159L130-K161 PolarHBondContact O-NZ 2.79Å; P131-K161 VanDerWaalsContact C-NZ 3.28Å; P131-K161 PolarHBondContact O-NZ 3.43Å; L136-K161 PolarHBondContact N-O 2.87Å; L158-K161 HydrophobicContact CD2-CD 4.31Å; L158-K161 PolarHBondContact O-N 3.4Å; L158-K161 VanDerWaalsContact O-N 3.11Å; G159-K161 VanDerWaalsContact C-N 3.27Å; G159-K161 PolarHBondContact O-N 3.14Å
162I98.5Very high97.7Very high18 Ų1844.9 Ų44.99%0.09227%0.27CS..EExtended strand (participates in β ladder)trans-113125.3-167.3-61.5163.4000110.1T123 A127 L136 T138 I153 L158 G159T123-I162 HydrophobicContact CG2-CD1 3.91Å; T123-I162 HydrophobicContact CG2-CG1 4.27Å; T123-I162 HydrophobicContact CG2-CG2 3.84Å; A127-I162 HydrophobicContact CB-CD1 3.59Å; A127-I162 HydrophobicContact CB-CG1 3.68Å; L136-I162 HydrophobicContact CB-CG1 4.41Å; L136-I162 HydrophobicContact CD2-CG1 4.4Å; L136-I162 HydrophobicContact CD2-CG2 4.05Å; L136-I162 CarbonylContact O-C 3.18Å; L136-I162 WeakPolarHBondContact O-CA 3.05Å; T138-I162 HydrophobicContact CG2-CG2 4.04Å; I153-I162 HydrophobicContact CB-CD1 4.49Å; I153-I162 HydrophobicContact CD1-CG2 3.85Å; I153-I162 HydrophobicContact CG1-CD1 4.08Å; I153-I162 HydrophobicContact CG2-CB 4.24Å; I153-I162 HydrophobicContact CG2-CD1 3.74Å; I153-I162 HydrophobicContact CG2-CG2 4.48Å; L158-I162 HydrophobicContact CB-CD1 3.61Å; L158-I162 HydrophobicContact CB-CG1 4.48Å; L158-I162 HydrophobicContact CD1-CD1 4.43Å; L158-I162 PolarHBondContact O-N 2.99Å; G159-I162 PolarHBondContact O-N 2.95Å
163Q98.3Very high97.7Very high91 Ų9144.9 Ų44.943%0.42527%0.27SS..EExtended strand (participates in β ladder)trans-109.4100.9169-170.8158.4900109.6L136 I137 T138 V165 F180L136-Q163 PolarHBondContact O-N 3.24Å; I137-Q163 WeakPolarHBondContact CA-O 3.37Å; I137-Q163 HydrophobicContact CG1-CB 4.43Å; T138-Q163 PolarHBondContact N-O 3.47Å; Q163-V165 HydrophobicContact CG-CG2 4.3Å; Q163-F180 VanDerWaalsContact CD-CE1 3.4Å; Q163-F180 HydrophobicContact CG-CD1 4.32Å; Q163-F180 HydrophobicContact CG-CE1 4Å; Q163-F180 VanDerWaalsContact OE1-CD1 3.29Å
164L98.6Very high97.7Very high26 Ų2647.8 Ų47.814%0.13629%0.29CS..EExtended strand (participates in β ladder)trans-84.3127173.8-171.2157.9000110T117 T138 A146 A149 R150 I153 E166T117-L164 HydrophobicContact CG2-CD1 3.87Å; T138-L164 HydrophobicContact CG2-CB 3.9Å; T138-L164 HydrophobicContact CG2-CD1 4.37Å; T138-L164 HydrophobicContact CG2-CG 3.96Å; T138-L164 WeakPolarHBondContact O-CA 3.33Å; A146-L164 HydrophobicContact CB-CD2 3.81Å; A149-L164 HydrophobicContact CB-CD1 3.47Å; A149-L164 VanDerWaalsContact CB-CD1 3.47Å; R150-L164 HydrophobicContact CG-CD1 4.08Å; R150-L164 HydrophobicContact CG-CD2 4.48Å; I153-L164 HydrophobicContact CD1-CB 4.48Å; I153-L164 HydrophobicContact CD1-CD1 3.9Å; L164-E166 HydrophobicContact CD2-CG 4.39Å
165V98.4Very high97.6Very high12 Ų1249.1 Ų49.17%0.07329%0.285CS..EExtended strand (participates in β ladder)trans-120.4129.1-179.5-175.20000109.4I137 T138 L139 E140 Q163 W172 F180I137-V165 HydrophobicContact CG2-CG2 4.2Å; T138-V165 PolarHBondContact O-N 3.17Å; L139-V165 WeakPolarHBondContact CA-O 3.35Å; L139-V165 HydrophobicContact CD2-CB 3.61Å; L139-V165 HydrophobicContact CD2-CG1 4.12Å; L139-V165 HydrophobicContact CD2-CG2 4.18Å; E140-V165 PolarHBondContact N-O 2.6Å; Q163-V165 HydrophobicContact CG-CG2 4.3Å; V165-W172 HydrophobicContact CG1-CD2 3.55Å; V165-W172 HydrophobicContact CG1-CE3 3.93Å; V165-W172 HydrophobicContact CG1-CG 4.11Å; V165-W172 HydrophobicContact CG1-CH2 3.77Å; V165-W172 HydrophobicContact CG1-CZ2 3.37Å; V165-W172 HydrophobicContact CG1-CZ3 4.02Å; V165-F180 HydrophobicContact CG2-CE1 3.87Å; V165-F180 HydrophobicContact CG2-CZ 3.52Å
166E98.3Very high97.6Very high77 Ų7746.3 Ų46.336%0.3627%0.274SS..EExtended strand (participates in β ladder)trans-83.2129.1174.1-78.8177-154.400111.1E140 A146 R150 L164 W172E140-E166 CarbonylContact O-C 3.58Å; E140-E166 VanDerWaalsContact O-CA 3.27Å; E140-E166 WeakPolarHBondContact O-CA 3.27Å; A146-E166 HydrophobicContact CB-CG 3.4Å; A146-E166 VanDerWaalsContact CB-CG 3.4Å; A146-E166 WeakPolarHBondContact CB-OE1 3.44Å; R150-E166 IonicContact CZ-OE1 2.96Å; R150-E166 IonicContact NH1-OE1 3.28Å; R150-E166 PolarHBondContact NH1-OE1 3.16Å; R150-E166 VanDerWaalsContact NH2-CD 3.31Å; R150-E166 IonicContact NH2-OE1 3.03Å; R150-E166 PolarHBondContact NH2-OE1 3.13Å; L164-E166 HydrophobicContact CD2-CG 4.39Å; E166-W172 PolarHBondContact O-NE1 2.91Å
167G97.2Very high97.5Very high21 Ų2149.8 Ų49.822%0.21629%0.289CS..SBendtrans142.3172.7171.800000113.9E140 F141E140-G167 PolarHBondContact O-N 3.21Å; F141-G167 WeakPolarHBondContact CA-O 3.46Å
168A96.9Very high97.3Very high43 Ų4354.4 Ų54.436%0.35530%0.296SS..  trans-70.3143.5178.200000111.2G170 D171 W172A168-G170 VanDerWaalsContact C-N 3.35Å; A168-G170 PolarHBondContact O-N 3.01Å; A168-D171 PolarHBondContact O-N 3.36Å; A168-D171 VanDerWaalsContact O-N 3.16Å; A168-W172 PolarHBondContact O-N 3.44Å
169S97.9Very high97.3Very high14 Ų1458.8 Ų58.810%0.09832%0.315CS..Hα-helixtrans-56-46.4178.448.60000112.6D171 W172 I173 D200S169-D171 PolarHBondContact O-N 3.28Å; S169-D171 VanDerWaalsContact O-N 3.16Å; S169-W172 PolarHBondContact O-N 3.48Å; S169-W172 VanDerWaalsContact O-N 3.07Å; S169-I173 VanDerWaalsContact O-CG1 3.25Å; S169-I173 WeakPolarHBondContact O-CG1 3.4Å; S169-I173 PolarHBondContact O-N 3.07Å; S169-D200 WeakPolarHBondContact CB-OD2 3.47Å; S169-D200 PolarHBondContact OG-OD2 3.45Å
170G97.4Very high97.3Very high18 Ų1857.7 Ų57.719%0.18630%0.298CS..Hα-helixtrans-58.2-28.6178.600000114.7A168 P174A168-G170 VanDerWaalsContact C-N 3.35Å; A168-G170 PolarHBondContact O-N 3.01Å; G170-P174 VanDerWaalsContact O-CD 3.27Å; G170-P174 WeakPolarHBondContact O-CD 3.4Å
171D97.9Very high97.2Very high101 Ų10153.5 Ų53.554%0.5429%0.288SS..Hα-helixtrans-83.6-25.2179.2-65.6-32.3000112.9A168 S169 K175A168-D171 PolarHBondContact O-N 3.36Å; A168-D171 VanDerWaalsContact O-N 3.16Å; S169-D171 PolarHBondContact O-N 3.28Å; S169-D171 VanDerWaalsContact O-N 3.16Å; D171-K175 WeakPolarHBondContact O-CD 3.43Å; D171-K175 VanDerWaalsContact O-CE 3.24Å; D171-K175 WeakPolarHBondContact O-CE 3.46Å; D171-K175 PolarHBondContact O-NZ 2.81Å
172W98.3Very high97.1Very high60 Ų6051.8 Ų51.823%0.22728%0.281CS..Hα-helixtrans-101.9-32.2-172-84110.9000113.5L139 V165 E166 A168 S169 P174 K175 M176 K179 F180L139-W172 HydrophobicContact CD1-CB 3.79Å; L139-W172 HydrophobicContact CD2-CB 4.18Å; L139-W172 HydrophobicContact CD2-CG 4.39Å; V165-W172 HydrophobicContact CG1-CD2 3.55Å; V165-W172 HydrophobicContact CG1-CE3 3.93Å; V165-W172 HydrophobicContact CG1-CG 4.11Å; V165-W172 HydrophobicContact CG1-CH2 3.77Å; V165-W172 HydrophobicContact CG1-CZ2 3.37Å; V165-W172 HydrophobicContact CG1-CZ3 4.02Å; E166-W172 PolarHBondContact O-NE1 2.91Å; A168-W172 PolarHBondContact O-N 3.44Å; S169-W172 PolarHBondContact O-N 3.48Å; S169-W172 VanDerWaalsContact O-N 3.07Å; W172-P174 VanDerWaalsContact C-N 3.34Å; W172-K175 HydrophobicContact CE3-CB 4.26Å; W172-K175 HydrophobicContact CE3-CD 4.29Å; W172-K175 PolarHBondContact O-N 3Å; W172-M176 HydrophobicContact CB-CE 4.28Å; W172-M176 PolarHBondContact O-N 2.89Å; W172-K179 HydrophobicContact CZ3-CB 4.45Å; W172-K179 HydrophobicContact CZ3-CG 4.15Å; W172-F180 HydrophobicContact CE3-CE2 4.21Å; W172-F180 HydrophobicContact CE3-CZ 4.24Å; W172-F180 HydrophobicContact CZ3-CE2 4.3Å; W172-F180 HydrophobicContact CZ3-CZ 4.02Å
173I98.4Very high96.9Very high0 Ų057.1 Ų57.10%031%0.306CS..G310 helixtrans-51-48.8176.3-72.1164000111.3L115 S169 K175 M176 D200 L203 M204 L209L115-I173 HydrophobicContact CD1-CD1 4.45Å; S169-I173 VanDerWaalsContact O-CG1 3.25Å; S169-I173 WeakPolarHBondContact O-CG1 3.4Å; S169-I173 PolarHBondContact O-N 3.07Å; I173-K175 PolarHBondContact O-N 3.4Å; I173-K175 VanDerWaalsContact O-N 3.08Å; I173-M176 VanDerWaalsContact O-CG 3.3Å; I173-M176 WeakPolarHBondContact O-CG 3.27Å; I173-M176 PolarHBondContact O-N 2.66Å; I173-D200 HydrophobicContact CD1-CB 3.57Å; I173-L203 HydrophobicContact CB-CD2 3.92Å; I173-L203 HydrophobicContact CB-CG 4.27Å; I173-L203 HydrophobicContact CD1-CD2 4.35Å; I173-L203 HydrophobicContact CG2-CB 4.22Å; I173-L203 HydrophobicContact CG2-CD2 3.94Å; I173-L203 HydrophobicContact CG2-CG 3.71Å; I173-M204 HydrophobicContact CD1-CG 4.22Å; I173-M204 HydrophobicContact CG1-CG 4.34Å; I173-M204 HydrophobicContact CG2-CG 3.75Å; I173-L209 HydrophobicContact CG2-CD1 3.72Å; I173-L209 WeakPolarHBondContact O-CD1 3.28Å
174P98.2Very high96.9Very high71 Ų7154.3 Ų54.346%0.46130%0.295SS..G310 helixtrans-64.8-17.9179.7-22.635.6000114.6G170 W172 L203G170-P174 VanDerWaalsContact O-CD 3.27Å; G170-P174 WeakPolarHBondContact O-CD 3.4Å; W172-P174 VanDerWaalsContact C-N 3.34Å; P174-L203 HydrophobicContact CG-CD1 4.26Å; P174-L203 HydrophobicContact CG-CD2 4.04Å; P174-L203 HydrophobicContact CG-CG 4.36Å
175K97.7Very high96.9Very high87 Ų8753.1 Ų53.138%0.37829%0.289SS..G310 helixtrans-97.3-3.5-175.6-61.5173.6-173.9141.10112.9D171 W172 I173 K177 E178 K179D171-K175 WeakPolarHBondContact O-CD 3.43Å; D171-K175 VanDerWaalsContact O-CE 3.24Å; D171-K175 WeakPolarHBondContact O-CE 3.46Å; D171-K175 PolarHBondContact O-NZ 2.81Å; W172-K175 HydrophobicContact CE3-CB 4.26Å; W172-K175 HydrophobicContact CE3-CD 4.29Å; W172-K175 PolarHBondContact O-N 3Å; I173-K175 PolarHBondContact O-N 3.4Å; I173-K175 VanDerWaalsContact O-N 3.08Å; K175-K177 PolarHBondContact O-N 2.9Å; K175-E178 PolarHBondContact O-N 3.03Å; K175-K179 HydrophobicContact CB-CG 3.98Å; K175-K179 WeakPolarHBondContact O-CB 3.46Å; K175-K179 WeakPolarHBondContact O-CG 3.34Å; K175-K179 PolarHBondContact O-N 2.74Å
176M97.4Very high96.9Very high0 Ų053.3 Ų53.30%029%0.289CS..Hα-helixtrans-58.9-44.8-170-72-65.7178.400113.4L113 I137 L139 W172 I173 F180 F185 L209L113-M176 HydrophobicContact CD1-CE 3.55Å; L113-M176 HydrophobicContact CD1-SD 4.46Å; L113-M176 HydrophobicContact CD2-CE 4.34Å; I137-M176 HydrophobicContact CD1-SD 4.41Å; I137-M176 HydrophobicContact CG2-CE 4.35Å; I137-M176 HydrophobicContact CG2-SD 4.29Å; L139-M176 HydrophobicContact CD1-CE 3.72Å; L139-M176 HydrophobicContact CD2-CE 3.92Å; L139-M176 HydrophobicContact CG-CE 4.11Å; W172-M176 HydrophobicContact CB-CE 4.28Å; W172-M176 PolarHBondContact O-N 2.89Å; I173-M176 VanDerWaalsContact O-CG 3.3Å; I173-M176 WeakPolarHBondContact O-CG 3.27Å; I173-M176 PolarHBondContact O-N 2.66Å; M176-F180 PolarHBondContact O-N 2.77Å; M176-F180 VanDerWaalsContact O-N 3.09Å; M176-F180 HydrophobicContact SD-CD2 3.61Å; M176-F180 HydrophobicContact SD-CE2 3.61Å; M176-F185 HydrophobicContact CB-CE2 4.2Å; M176-F185 HydrophobicContact CB-CZ 4.33Å; M176-F185 HydrophobicContact CG-CE2 4.07Å; M176-F185 HydrophobicContact CG-CZ 4.17Å; M176-F185 HydrophobicContact SD-CE2 4.45Å; M176-F185 HydrophobicContact SD-CZ 3.98Å; M176-L209 HydrophobicContact CB-CD1 4.06Å; M176-L209 HydrophobicContact CB-CD2 3.86Å; M176-L209 HydrophobicContact CG-CD1 4.14Å
177K96.1Very high97Very high73 Ų7349.7 Ų49.732%0.31727%0.272SS..Hα-helixtrans-62-51.2-179.5-55.9-159.8171.1-164.60111.9K175 A181 I182 E183 C207 G208 L209K175-K177 PolarHBondContact O-N 2.9Å; K177-A181 VanDerWaalsContact O-CA 3.32Å; K177-A181 WeakPolarHBondContact O-CA 3.19Å; K177-A181 PolarHBondContact O-N 2.95Å; K177-A181 VanDerWaalsContact O-N 3.1Å; K177-I182 VanDerWaalsContact CA-O 3.32Å; K177-I182 WeakPolarHBondContact CA-O 3.24Å; K177-I182 WeakPolarHBondContact CG-O 3.15Å; K177-E183 WeakPolarHBondContact CE-O 3.41Å; K177-E183 PolarHBondContact NZ-O 2.96Å; K177-E183 IonicContact NZ-OE2 3.8Å; K177-C207 WeakPolarHBondContact CE-O 3.3Å; K177-C207 PolarHBondContact NZ-O 2.99Å; K177-G208 WeakPolarHBondContact CE-O 3.36Å; K177-G208 PolarHBondContact NZ-O 3.46Å; K177-L209 HydrophobicContact CD-CD2 4.45Å; K177-L209 HydrophobicContact CG-CD2 3.74Å
178E95.5Very high97Very high149 Ų14948.7 Ų48.770%0.69626%0.262SS*.Hα-helixtrans-67.1-44.2-177.4-169.6-156.9132.500112.1K175K175-E178 PolarHBondContact O-N 3.03Å
179K96.8Very high97.1Very high109 Ų10946.6 Ų46.647%0.47425%0.245SC..Hα-helixtrans-83.9-26.8-170.2-63.7-56.1-173.1-151.60114.3W172 K175W172-K179 HydrophobicContact CZ3-CB 4.45Å; W172-K179 HydrophobicContact CZ3-CG 4.15Å; K175-K179 HydrophobicContact CB-CG 3.98Å; K175-K179 WeakPolarHBondContact O-CB 3.46Å; K175-K179 WeakPolarHBondContact O-CG 3.34Å; K175-K179 PolarHBondContact O-N 2.74Å
180F95.3Very high97.2Very high19 Ų1946 Ų468%0.08324%0.24CC..Hα-helixtrans-123.61-173.7-50.4-72.4000114I137 Q163 V165 W172 M176 I182I137-F180 HydrophobicContact CD1-CB 3.54Å; I137-F180 HydrophobicContact CD1-CD1 4.08Å; I137-F180 HydrophobicContact CD1-CD2 3.76Å; I137-F180 HydrophobicContact CD1-CG 3.51Å; I137-F180 HydrophobicContact CG1-CG 4.48Å; Q163-F180 VanDerWaalsContact CD-CE1 3.4Å; Q163-F180 HydrophobicContact CG-CD1 4.32Å; Q163-F180 HydrophobicContact CG-CE1 4Å; Q163-F180 VanDerWaalsContact OE1-CD1 3.29Å; V165-F180 HydrophobicContact CG2-CE1 3.87Å; V165-F180 HydrophobicContact CG2-CZ 3.52Å; W172-F180 HydrophobicContact CE3-CE2 4.21Å; W172-F180 HydrophobicContact CE3-CZ 4.24Å; W172-F180 HydrophobicContact CZ3-CE2 4.3Å; W172-F180 HydrophobicContact CZ3-CZ 4.02Å; M176-F180 PolarHBondContact O-N 2.77Å; M176-F180 VanDerWaalsContact O-N 3.09Å; M176-F180 HydrophobicContact SD-CD2 3.61Å; M176-F180 HydrophobicContact SD-CE2 3.61Å; F180-I182 HydrophobicContact CB-CG1 3.82Å; F180-I182 PolarHBondContact O-N 3.17Å
181A92.7Very high97.2Very high89 Ų8945.8 Ų45.874%0.73624%0.235SC*.  trans53.339.5-174.900000112.3K177K177-A181 VanDerWaalsContact O-CA 3.32Å; K177-A181 WeakPolarHBondContact O-CA 3.19Å; K177-A181 PolarHBondContact O-N 2.95Å; K177-A181 VanDerWaalsContact O-N 3.1Å
182I93.1Very high97.1Very high10 Ų1042.5 Ų42.55%0.05122%0.216CC..  trans-103.6118.3176.6-60-62.8000108.7T111 I137 K177 F180 T184 F185T111-I182 HydrophobicContact CG2-CD1 3.68Å; I137-I182 HydrophobicContact CD1-CG1 3.84Å; K177-I182 VanDerWaalsContact CA-O 3.32Å; K177-I182 WeakPolarHBondContact CA-O 3.24Å; K177-I182 WeakPolarHBondContact CG-O 3.15Å; F180-I182 HydrophobicContact CB-CG1 3.82Å; F180-I182 PolarHBondContact O-N 3.17Å; I182-T184 WeakPolarHBondContact CG2-O 3.17Å; I182-F185 HydrophobicContact CB-CE1 4.5Å; I182-F185 HydrophobicContact CB-CZ 4.35Å; I182-F185 HydrophobicContact CG1-CE1 4.4Å; I182-F185 HydrophobicContact CG2-CD1 4.02Å; I182-F185 HydrophobicContact CG2-CD2 4.39Å; I182-F185 HydrophobicContact CG2-CE1 3.74Å; I182-F185 HydrophobicContact CG2-CE2 4.11Å; I182-F185 HydrophobicContact CG2-CG 4.35Å; I182-F185 HydrophobicContact CG2-CZ 3.78Å
183E95.2Very high96.9Very high129 Ų12948.2 Ų48.260%0.60324%0.238SC*.SBendtrans-76.5-45.8174.8-72.7-56.8142.400112.1K177K177-E183 WeakPolarHBondContact CE-O 3.41Å; K177-E183 PolarHBondContact NZ-O 2.96Å; K177-E183 IonicContact NZ-OE2 3.8Å
184T98.3Very high96.5Very high33 Ų3349.5 Ų49.520%0.20224%0.244CC..  trans-151157.1-179.556.90000110.3T111 I182 L209 R211T111-T184 PolarHBondContact OG1-O 2.71Å; T111-T184 VanDerWaalsContact OG1-O 3.06Å; I182-T184 WeakPolarHBondContact CG2-O 3.17Å; T184-L209 CarbonylContact C-O 3.59Å; T184-L209 WeakPolarHBondContact CA-O 3.42Å; T184-L209 WeakPolarHBondContact CB-O 3.16Å; T184-R211 HydrophobicContact CG2-CB 4Å; T184-R211 HydrophobicContact CG2-CG 4.43Å; T184-R211 WeakPolarHBondContact OG1-CD 3.47Å
185F98.6Very high96.3Very high1 Ų151.2 Ų51.20%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-97.8137.5174-66.3-77.1000111.7T111 L113 I137 M176 I182 V188 L209 S214T111-F185 WeakPolarHBondContact OG1-CA 3.21Å; L113-F185 HydrophobicContact CB-CD1 3.66Å; L113-F185 HydrophobicContact CB-CD2 4.02Å; L113-F185 HydrophobicContact CB-CE1 3.71Å; L113-F185 HydrophobicContact CB-CE2 4.08Å; L113-F185 HydrophobicContact CB-CG 3.81Å; L113-F185 HydrophobicContact CB-CZ 3.92Å; L113-F185 HydrophobicContact CD1-CZ 4.3Å; L113-F185 HydrophobicContact CD2-CD2 4.11Å; L113-F185 HydrophobicContact CD2-CE2 3.85Å; L113-F185 HydrophobicContact CD2-CZ 4.24Å; L113-F185 HydrophobicContact CG-CE2 4.45Å; L113-F185 HydrophobicContact CG-CZ 4.39Å; I137-F185 HydrophobicContact CD1-CE1 4.06Å; I137-F185 HydrophobicContact CD1-CZ 4.15Å; M176-F185 HydrophobicContact CB-CE2 4.2Å; M176-F185 HydrophobicContact CB-CZ 4.33Å; M176-F185 HydrophobicContact CG-CE2 4.07Å; M176-F185 HydrophobicContact CG-CZ 4.17Å; M176-F185 HydrophobicContact SD-CE2 4.45Å; M176-F185 HydrophobicContact SD-CZ 3.98Å; I182-F185 HydrophobicContact CB-CE1 4.5Å; I182-F185 HydrophobicContact CB-CZ 4.35Å; I182-F185 HydrophobicContact CG1-CE1 4.4Å; I182-F185 HydrophobicContact CG2-CD1 4.02Å; I182-F185 HydrophobicContact CG2-CD2 4.39Å; I182-F185 HydrophobicContact CG2-CE1 3.74Å; I182-F185 HydrophobicContact CG2-CE2 4.11Å; I182-F185 HydrophobicContact CG2-CG 4.35Å; I182-F185 HydrophobicContact CG2-CZ 3.78Å; F185-V188 HydrophobicContact CB-CG2 3.9Å; F185-L209 HydrophobicContact CD2-CB 4.25Å; F185-L209 HydrophobicContact CE2-CD1 4.43Å; F185-L209 HydrophobicContact CE2-CD2 4.24Å; F185-L209 PolarHBondContact N-O 2.68Å; F185-S214 WeakPolarHBondContact O-CB 3.39Å; F185-S214 PolarHBondContact O-OG 3.14Å
186D98.7Very high96.2Very high16 Ų1651.5 Ų51.59%0.08625%0.248CC..EExtended strand (participates in β ladder)trans-78.6-36.8174.1-55.3-47.6000111.1P109 A110 T111 R211 S214 I215P109-D186 HydrophobicContact CB-CB 3.62Å; A110-D186 WeakPolarHBondContact CA-OD2 3.13Å; A110-D186 WeakPolarHBondContact CB-OD2 3.45Å; A110-D186 PolarHBondContact N-OD2 2.87Å; T111-D186 PolarHBondContact N-OD2 2.92Å; T111-D186 PolarHBondContact O-N 3.04Å; T111-D186 PolarHBondContact OG1-N 3.49Å; T111-D186 VanDerWaalsContact OG1-N 3.14Å; T111-D186 PolarHBondContact OG1-OD2 3.11Å; T111-D186 VanDerWaalsContact OG1-OD2 3.06Å; D186-R211 IonicContact OD1-CZ 3.66Å; D186-R211 VanDerWaalsContact OD1-CZ 3.24Å; D186-R211 IonicContact OD1-NE 2.98Å; D186-R211 PolarHBondContact OD1-NE 2.97Å; D186-R211 IonicContact OD1-NH2 3.05Å; D186-R211 PolarHBondContact OD1-NH2 3Å; D186-S214 WeakPolarHBondContact O-CA 3.34Å; D186-I215 PolarHBondContact O-N 2.85Å
187L98.9Very high96.3Very high0 Ų051.5 Ų51.50%025%0.248CC..EExtended strand (participates in β ladder)trans-133.4135.1176.917766.2000110.1V103 V104 P109 T111 V112 L113 I215 L217V103-L187 HydrophobicContact CG1-CD1 4.32Å; V104-L187 HydrophobicContact CG2-CD2 3.68Å; P109-L187 HydrophobicContact CB-CB 4.02Å; P109-L187 HydrophobicContact CG-CB 4.14Å; P109-L187 HydrophobicContact CG-CD2 4.21Å; T111-L187 PolarHBondContact O-N 3.22Å; V112-L187 VanDerWaalsContact CA-O 3.29Å; V112-L187 WeakPolarHBondContact CA-O 3.41Å; V112-L187 HydrophobicContact CG1-CB 4.24Å; V112-L187 HydrophobicContact CG1-CD2 4.12Å; V112-L187 HydrophobicContact CG1-CG 4.17Å; V112-L187 HydrophobicContact CG2-CB 4.23Å; V112-L187 HydrophobicContact CG2-CD2 4.41Å; L113-L187 PolarHBondContact N-O 2.83Å; L187-I215 CarbonylContact C-O 3.57Å; L187-I215 WeakPolarHBondContact CA-O 3.41Å; L187-I215 HydrophobicContact CD1-CB 4.07Å; L187-I215 HydrophobicContact CD1-CG2 3.9Å; L187-L217 HydrophobicContact CD1-CB 4.28Å
188V98.9Very high96.4Very high0 Ų049.1 Ų49.10%024%0.238CC..EExtended strand (participates in β ladder)trans-121.2121.6168.3-174.40000108.5L113 F185 L190 M204 L210 I215 L216 L217L113-V188 HydrophobicContact CB-CG1 4.25Å; L113-V188 HydrophobicContact CB-CG2 4.27Å; L113-V188 HydrophobicContact CD2-CG1 4.29Å; L113-V188 HydrophobicContact CG-CG1 4.33Å; L113-V188 CarbonylContact O-C 3.59Å; L113-V188 VanDerWaalsContact O-CA 3.25Å; L113-V188 WeakPolarHBondContact O-CA 3.26Å; F185-V188 HydrophobicContact CB-CG2 3.9Å; V188-L190 HydrophobicContact CG1-CD1 4.05Å; V188-L190 HydrophobicContact CG1-CG 4.39Å; V188-M204 HydrophobicContact CG1-CE 3.96Å; V188-M204 HydrophobicContact CG1-SD 3.87Å; V188-M204 HydrophobicContact CG2-SD 4Å; V188-L210 HydrophobicContact CG2-CD2 4.1Å; V188-I215 PolarHBondContact N-O 2.84Å; V188-L216 HydrophobicContact CB-CG 4.27Å; V188-L216 CarbonylContact O-C 3.56Å; V188-L216 WeakPolarHBondContact O-CA 3.3Å; V188-L217 PolarHBondContact O-N 2.96Å
189F98.9Very high96.6Very high0 Ų044.6 Ų44.60%022%0.222CC..EExtended strand (participates in β ladder)trans-100.7120172.8-174.9-121000109.6V92 L100 L113 E114 L115 I126 D191 L217 D219 L257V92-F189 HydrophobicContact CG2-CZ 4.18Å; L100-F189 HydrophobicContact CD1-CD2 3.89Å; L100-F189 HydrophobicContact CD1-CE2 4.11Å; L100-F189 HydrophobicContact CD1-CG 4.31Å; L100-F189 HydrophobicContact CD2-CE1 4.43Å; L100-F189 HydrophobicContact CD2-CE2 4.47Å; L100-F189 HydrophobicContact CD2-CZ 4.29Å; L113-F189 PolarHBondContact O-N 2.75Å; E114-F189 HydrophobicContact CG-CD1 4.16Å; L115-F189 PolarHBondContact N-O 3.43Å; I126-F189 HydrophobicContact CD1-CB 4.13Å; I126-F189 HydrophobicContact CD1-CD1 4.13Å; I126-F189 HydrophobicContact CD1-CG 4.25Å; F189-D191 HydrophobicContact CD1-CB 4.19Å; F189-D191 HydrophobicContact CE1-CB 3.52Å; F189-D191 HydrophobicContact CZ-CB 3.81Å; F189-L217 WeakPolarHBondContact CA-O 3.36Å; F189-L217 HydrophobicContact CD2-CB 4.24Å; F189-L217 HydrophobicContact CD2-CD2 4.18Å; F189-L217 HydrophobicContact CD2-CG 4.18Å; F189-L217 VanDerWaalsContact CD2-O 3.27Å; F189-L217 WeakPolarHBondContact CD2-O 3.42Å; F189-L217 HydrophobicContact CE2-CD2 4.43Å; F189-L217 HydrophobicContact CE2-CG 4.43Å; F189-D219 HydrophobicContact CE2-CB 4.13Å; F189-D219 HydrophobicContact CZ-CB 4.01Å; F189-L257 HydrophobicContact CE2-CD2 4.15Å
190L98.8Very high96.7Very high0 Ų039.4 Ų39.40%020%0.199CC..EExtended strand (participates in β ladder)trans-103.3110.7179.1-59.488.5000108.8L115 V188 Y197 L216 L217 A218 D219 Y229L115-L190 HydrophobicContact CD1-CG 4.44Å; V188-L190 HydrophobicContact CG1-CD1 4.05Å; V188-L190 HydrophobicContact CG1-CG 4.39Å; L190-Y197 HydrophobicContact CB-CD1 4.28Å; L190-Y197 HydrophobicContact CB-CD2 3.91Å; L190-Y197 HydrophobicContact CB-CE1 4.09Å; L190-Y197 HydrophobicContact CB-CE2 3.72Å; L190-Y197 HydrophobicContact CB-CG 4.21Å; L190-Y197 HydrophobicContact CD2-CD1 4.38Å; L190-Y197 HydrophobicContact CD2-CD2 4.04Å; L190-Y197 HydrophobicContact CD2-CG 3.89Å; L190-Y197 VanDerWaalsContact O-CZ 3.31Å; L190-Y197 PolarHBondContact O-OH 2.75Å; L190-L216 HydrophobicContact CD1-CB 4.04Å; L190-L216 HydrophobicContact CD1-CD2 4.5Å; L190-L216 HydrophobicContact CD1-CG 4.21Å; L190-L217 PolarHBondContact N-O 3.36Å; L190-A218 HydrophobicContact CB-CB 4.32Å; L190-A218 HydrophobicContact CD1-CB 4.43Å; L190-D219 PolarHBondContact O-N 3.41Å; L190-Y229 HydrophobicContact CD2-CE2 4.5Å
191D97.5Very high96.8Very high14 Ų1438.5 Ų38.58%0.07520%0.195CC..  trans-147.241.2175.8-164.920.7000112.7L115 F189 K194 Y197 D219 N220L115-D191 CarbonylContact O-C 3.48Å; L115-D191 PolarHBondContact O-N 2.81Å; F189-D191 HydrophobicContact CD1-CB 4.19Å; F189-D191 HydrophobicContact CE1-CB 3.52Å; F189-D191 HydrophobicContact CZ-CB 3.81Å; D191-K194 IonicContact OD1-NZ 2.96Å; D191-K194 PolarHBondContact OD1-NZ 2.81Å; D191-Y197 WeakPolarHBondContact CA-OH 3.27Å; D191-D219 HydrophobicContact CB-CB 4.28Å; D191-N220 PolarHBondContact OD1-OD1 2.88Å
192H96.3Very high97.1Very high32 Ų3238 Ų3815%0.14818%0.176CC..SBendtrans-108.4-149.8176.461.7-65.4000109.8L115 K194 R196 Y197 D200L115-H192 HydrophobicContact CB-CB 4.48Å; L115-H192 WeakPolarHBondContact CB-ND1 3.18Å; L115-H192 WeakPolarHBondContact O-CB 3.31Å; L115-H192 PolarHBondContact O-N 3.05Å; L115-H192 PolarHBondContact O-ND1 3.33Å; H192-K194 WeakPolarHBondContact O-CD 3.2Å; H192-K194 PolarHBondContact O-N 2.86Å; H192-K194 PolarHBondContact O-NZ 3.36Å; H192-R196 VanDerWaalsContact CD2-CB 3.45Å; H192-R196 WeakPolarHBondContact CD2-CB 3.24Å; H192-R196 WeakPolarHBondContact NE2-CB 3.41Å; H192-Y197 AromaticContact CE1-CD1 3.53Å; H192-Y197 AromaticContact CE1-CE1 3.83Å; H192-Y197 AromaticContact ND1-CD1 3.93Å; H192-Y197 AromaticContact ND1-CE1 3.74Å; H192-Y197 AromaticContact NE2-CD1 3.99Å; H192-D200 IonicContact CD2-OD2 2.66Å; H192-D200 IonicContact CE1-OD2 2.66Å; H192-D200 IonicContact NE2-OD2 2.68Å; H192-D200 PolarHBondContact NE2-OD2 3.36Å; H192-D200 VanDerWaalsContact NE2-OD2 3.11Å
193W93.8Very high97.4Very high181 Ų18139.2 Ų39.269%0.68618%0.183SC*.  trans-63.3126.7177-166.3-93.3000111.8D195 R196 Y197W193-D195 PolarHBondContact NE1-OD2 2.81Å; W193-D195 PolarHBondContact O-N 2.95Å; W193-R196 HydrophobicContact CB-CB 4.5Å; W193-R196 HydrophobicContact CB-CG 4.08Å; W193-R196 VanDerWaalsContact O-CB 3.31Å; W193-R196 WeakPolarHBondContact O-CB 3.41Å; W193-R196 PolarHBondContact O-N 3.33Å; W193-Y197 WeakPolarHBondContact O-CD1 3.29Å
194K90.3Very high97.6Very high26 Ų2633 Ų3311%0.11315%0.154CC..G310 helixtrans-66.6-33.9-168-52-47.1171.6-171.10113.5D191 H192 R196 Y197 N220 P224 T226D191-K194 IonicContact OD1-NZ 2.96Å; D191-K194 PolarHBondContact OD1-NZ 2.81Å; H192-K194 WeakPolarHBondContact O-CD 3.2Å; H192-K194 PolarHBondContact O-N 2.86Å; H192-K194 PolarHBondContact O-NZ 3.36Å; K194-R196 PolarHBondContact O-N 3.35Å; K194-Y197 HydrophobicContact CD-CE1 3.69Å; K194-Y197 HydrophobicContact CD-CE2 4.4Å; K194-Y197 WeakPolarHBondContact CD-OH 3.22Å; K194-Y197 PolarHBondContact NZ-OH 2.78Å; K194-Y197 PolarHBondContact O-N 2.86Å; K194-Y197 VanDerWaalsContact O-N 3.16Å; K194-N220 HydrophobicContact CD-CB 4.26Å; K194-N220 VanDerWaalsContact CE-CB 3.48Å; K194-N220 WeakPolarHBondContact CE-OD1 3.46Å; K194-N220 PolarHBondContact NZ-OD1 3.07Å; K194-P224 HydrophobicContact CG-CG 3.88Å; K194-T226 PolarHBondContact O-OG1 3.42Å
195D92.9Very high97.6Very high108 Ų10832.6 Ų32.658%0.57815%0.15SC*.G310 helixtrans-66.2-8.6175.1-50.4-31.1000113.5W193 P199W193-D195 PolarHBondContact NE1-OD2 2.81Å; W193-D195 PolarHBondContact O-N 2.95Å; D195-P199 WeakPolarHBondContact O-CD 3.29Å; D195-P199 WeakPolarHBondContact O-CG 3.37Å
196R97.5Very high97.5Very high93 Ų9339.7 Ų39.735%0.35118%0.183SC..G310 helixtrans-97.1-12.1179.2-65.7-63.5-58.6178.70.2113.2H192 W193 K194 L198 P199 D200H192-R196 VanDerWaalsContact CD2-CB 3.45Å; H192-R196 WeakPolarHBondContact CD2-CB 3.24Å; H192-R196 WeakPolarHBondContact NE2-CB 3.41Å; W193-R196 HydrophobicContact CB-CB 4.5Å; W193-R196 HydrophobicContact CB-CG 4.08Å; W193-R196 VanDerWaalsContact O-CB 3.31Å; W193-R196 WeakPolarHBondContact O-CB 3.41Å; W193-R196 PolarHBondContact O-N 3.33Å; K194-R196 PolarHBondContact O-N 3.35Å; R196-L198 PolarHBondContact O-N 3.27Å; R196-P199 WeakPolarHBondContact O-CD 3.32Å; R196-D200 IonicContact CZ-OD1 2.64Å; R196-D200 IonicContact NE-OD1 3.11Å; R196-D200 IonicContact NE-OD2 3.77Å; R196-D200 IonicContact NH2-OD1 3.06Å; R196-D200 PolarHBondContact NH2-OD1 3.29Å; R196-D200 WeakPolarHBondContact O-CB 3.35Å; R196-D200 VanDerWaalsContact O-CG 3.29Å; R196-D200 PolarHBondContact O-N 3.01Å
197Y98.6Very high97.5Very high0 Ų040.8 Ų40.80%019%0.191CC..Hα-helixtrans-59.4-49.6-177.4-80.735.7000112L190 D191 H192 W193 K194 T201 A218 D219 T226 Y229L190-Y197 HydrophobicContact CB-CD1 4.28Å; L190-Y197 HydrophobicContact CB-CD2 3.91Å; L190-Y197 HydrophobicContact CB-CE1 4.09Å; L190-Y197 HydrophobicContact CB-CE2 3.72Å; L190-Y197 HydrophobicContact CB-CG 4.21Å; L190-Y197 HydrophobicContact CD2-CD1 4.38Å; L190-Y197 HydrophobicContact CD2-CD2 4.04Å; L190-Y197 HydrophobicContact CD2-CG 3.89Å; L190-Y197 VanDerWaalsContact O-CZ 3.31Å; L190-Y197 PolarHBondContact O-OH 2.75Å; D191-Y197 WeakPolarHBondContact CA-OH 3.27Å; H192-Y197 AromaticContact CE1-CD1 3.53Å; H192-Y197 AromaticContact CE1-CE1 3.83Å; H192-Y197 AromaticContact ND1-CD1 3.93Å; H192-Y197 AromaticContact ND1-CE1 3.74Å; H192-Y197 AromaticContact NE2-CD1 3.99Å; W193-Y197 WeakPolarHBondContact O-CD1 3.29Å; K194-Y197 HydrophobicContact CD-CE1 3.69Å; K194-Y197 HydrophobicContact CD-CE2 4.4Å; K194-Y197 WeakPolarHBondContact CD-OH 3.22Å; K194-Y197 PolarHBondContact NZ-OH 2.78Å; K194-Y197 PolarHBondContact O-N 2.86Å; K194-Y197 VanDerWaalsContact O-N 3.16Å; Y197-T201 WeakPolarHBondContact O-CB 3.36Å; Y197-T201 PolarHBondContact O-N 3.36Å; Y197-T201 PolarHBondContact O-OG1 3.07Å; Y197-A218 HydrophobicContact CD2-CB 3.96Å; Y197-A218 HydrophobicContact CE2-CB 3.75Å; Y197-D219 WeakPolarHBondContact CE2-O 3.31Å; Y197-D219 PolarHBondContact OH-O 3.39Å; Y197-T226 HydrophobicContact CD2-CG2 3.79Å; Y197-T226 HydrophobicContact CE2-CG2 4.13Å; Y197-T226 HydrophobicContact CG-CG2 4.5Å; Y197-Y229 HydrophobicContact CD2-CD1 4.32Å; Y197-Y229 HydrophobicContact CD2-CG 4.39Å
198L98.6Very high97.5Very high23 Ų2342.2 Ų42.212%0.1221%0.206CC..Hα-helixtrans-67.9-52179.1174.663.6000112.6R196 D200 T201 K202 D228 Y232R196-L198 PolarHBondContact O-N 3.27Å; L198-D200 VanDerWaalsContact C-N 3.33Å; L198-D200 PolarHBondContact O-N 3.1Å; L198-T201 PolarHBondContact O-N 2.69Å; L198-K202 HydrophobicContact CD1-CD 4.21Å; L198-K202 HydrophobicContact CD1-CG 4.3Å; L198-K202 HydrophobicContact CG-CD 4.5Å; L198-K202 PolarHBondContact O-N 3.12Å; L198-D228 HydrophobicContact CD2-CB 3.84Å; L198-Y232 VanDerWaalsContact CD1-CB 3.47Å; L198-Y232 HydrophobicContact CD1-CD1 3.6Å; L198-Y232 HydrophobicContact CD1-CD2 4.07Å; L198-Y232 HydrophobicContact CD1-CE1 4.39Å; L198-Y232 HydrophobicContact CD1-CG 3.42Å; L198-Y232 VanDerWaalsContact CD1-CG 3.42Å
199P98.6Very high97.5Very high53 Ų5342.2 Ų42.234%0.34421%0.206SC..Hα-helixtrans-55.5-44.6176.4-27.734.3000113.7D195 R196 K202 L203D195-P199 WeakPolarHBondContact O-CD 3.29Å; D195-P199 WeakPolarHBondContact O-CG 3.37Å; R196-P199 WeakPolarHBondContact O-CD 3.32Å; P199-K202 PolarHBondContact O-N 3.13Å; P199-L203 WeakPolarHBondContact O-CB 3.28Å; P199-L203 PolarHBondContact O-N 2.85Å
200D98.8Very high97.5Very high0 Ų042.9 Ų42.90%021%0.209CC..Hα-helixtrans-72.9-33.2-177.7-70-15.4000111.7L115 S169 I173 H192 R196 L198 L203 M204L115-D200 HydrophobicContact CD1-CB 4.16Å; S169-D200 WeakPolarHBondContact CB-OD2 3.47Å; S169-D200 PolarHBondContact OG-OD2 3.45Å; I173-D200 HydrophobicContact CD1-CB 3.57Å; H192-D200 IonicContact CD2-OD2 2.66Å; H192-D200 IonicContact CE1-OD2 2.66Å; H192-D200 IonicContact NE2-OD2 2.68Å; H192-D200 PolarHBondContact NE2-OD2 3.36Å; H192-D200 VanDerWaalsContact NE2-OD2 3.11Å; R196-D200 IonicContact CZ-OD1 2.64Å; R196-D200 IonicContact NE-OD1 3.11Å; R196-D200 IonicContact NE-OD2 3.77Å; R196-D200 IonicContact NH2-OD1 3.06Å; R196-D200 PolarHBondContact NH2-OD1 3.29Å; R196-D200 WeakPolarHBondContact O-CB 3.35Å; R196-D200 VanDerWaalsContact O-CG 3.29Å; R196-D200 PolarHBondContact O-N 3.01Å; L198-D200 VanDerWaalsContact C-N 3.33Å; L198-D200 PolarHBondContact O-N 3.1Å; D200-L203 PolarHBondContact O-N 2.87Å; D200-M204 WeakPolarHBondContact O-CG 3.33Å; D200-M204 PolarHBondContact O-N 3.4Å
201T98.8Very high97.4Very high0 Ų048.2 Ų48.20%023%0.229CC..Hα-helixtrans-59.5-51.2171.2-64.90000111.2Y197 L198 L203 M204 E205 L216 Y229 Y232 I233Y197-T201 WeakPolarHBondContact O-CB 3.36Å; Y197-T201 PolarHBondContact O-N 3.36Å; Y197-T201 PolarHBondContact O-OG1 3.07Å; L198-T201 PolarHBondContact O-N 2.69Å; T201-L203 VanDerWaalsContact C-N 3.31Å; T201-L203 PolarHBondContact O-N 2.77Å; T201-M204 PolarHBondContact O-N 3.47Å; T201-E205 WeakPolarHBondContact O-CG 3.44Å; T201-E205 PolarHBondContact O-N 2.84Å; T201-L216 HydrophobicContact CG2-CD2 3.63Å; T201-Y229 HydrophobicContact CG2-CE2 4.38Å; T201-Y229 WeakPolarHBondContact OG1-CE2 3.03Å; T201-Y232 HydrophobicContact CG2-CE1 4.45Å; T201-I233 HydrophobicContact CG2-CD1 4.17Å
202K98.7Very high97.5Very high79 Ų7954.9 Ų54.934%0.34326%0.258SS..Hα-helixtrans-60.5-41.3176.4-73.3177.8171.9173.10111.9L198 P199 M204 E205 E206L198-K202 HydrophobicContact CD1-CD 4.21Å; L198-K202 HydrophobicContact CD1-CG 4.3Å; L198-K202 HydrophobicContact CG-CD 4.5Å; L198-K202 PolarHBondContact O-N 3.12Å; P199-K202 PolarHBondContact O-N 3.13Å; K202-M204 VanDerWaalsContact C-N 3.33Å; K202-M204 PolarHBondContact O-N 3.24Å; K202-E205 WeakPolarHBondContact O-CB 3.11Å; K202-E205 PolarHBondContact O-N 2.97Å; K202-E206 VanDerWaalsContact O-CG 3.32Å; K202-E206 WeakPolarHBondContact O-CG 3.47Å; K202-E206 PolarHBondContact O-N 2.88Å
203L98.7Very high97.6Very high35 Ų3554.9 Ų54.918%0.18327%0.266CS..Hα-helixtrans-63.7-38.7178.3-171.560.5000112.1I173 P174 P199 D200 T201 E206 C207I173-L203 HydrophobicContact CB-CD2 3.92Å; I173-L203 HydrophobicContact CB-CG 4.27Å; I173-L203 HydrophobicContact CD1-CD2 4.35Å; I173-L203 HydrophobicContact CG2-CB 4.22Å; I173-L203 HydrophobicContact CG2-CD2 3.94Å; I173-L203 HydrophobicContact CG2-CG 3.71Å; P174-L203 HydrophobicContact CG-CD1 4.26Å; P174-L203 HydrophobicContact CG-CD2 4.04Å; P174-L203 HydrophobicContact CG-CG 4.36Å; P199-L203 WeakPolarHBondContact O-CB 3.28Å; P199-L203 PolarHBondContact O-N 2.85Å; D200-L203 PolarHBondContact O-N 2.87Å; T201-L203 VanDerWaalsContact C-N 3.31Å; T201-L203 PolarHBondContact O-N 2.77Å; L203-E206 PolarHBondContact O-N 2.85Å; L203-C207 VanDerWaalsContact O-CB 3.3Å; L203-C207 WeakPolarHBondContact O-CB 3.39Å; L203-C207 PolarHBondContact O-N 2.83Å; L203-C207 PolarHBondContact O-SG 3.35Å
204M98.7Very high97.8Very high0 Ų046.2 Ų46.20%023%0.234CC..Hα-helixtrans-65.2-38173.7-73.5-176.3-66.600112.3L113 I173 V188 D200 T201 K202 G208 L209 L210 L216L113-M204 HydrophobicContact CD2-SD 3.82Å; I173-M204 HydrophobicContact CD1-CG 4.22Å; I173-M204 HydrophobicContact CG1-CG 4.34Å; I173-M204 HydrophobicContact CG2-CG 3.75Å; V188-M204 HydrophobicContact CG1-CE 3.96Å; V188-M204 HydrophobicContact CG1-SD 3.87Å; V188-M204 HydrophobicContact CG2-SD 4Å; D200-M204 WeakPolarHBondContact O-CG 3.33Å; D200-M204 PolarHBondContact O-N 3.4Å; T201-M204 PolarHBondContact O-N 3.47Å; K202-M204 VanDerWaalsContact C-N 3.33Å; K202-M204 PolarHBondContact O-N 3.24Å; M204-G208 PolarHBondContact O-N 3.05Å; M204-L209 HydrophobicContact CB-CB 4.34Å; M204-L209 HydrophobicContact CG-CD1 4.32Å; M204-L209 PolarHBondContact O-N 2.92Å; M204-L210 HydrophobicContact CB-CD1 4.41Å; M204-L210 HydrophobicContact CB-CD2 4.38Å; M204-L210 HydrophobicContact CB-CG 4.17Å; M204-L216 HydrophobicContact CE-CD2 4.45Å
205E98.4Very high98.2Very high24 Ų2445.5 Ų45.511%0.11223%0.231CC..Hα-helixtrans-63.2-48.7172.7-64.6168.8-17400111.6T201 K202 C207 G208 L210 Y232 R238 Y239T201-E205 WeakPolarHBondContact O-CG 3.44Å; T201-E205 PolarHBondContact O-N 2.84Å; K202-E205 WeakPolarHBondContact O-CB 3.11Å; K202-E205 PolarHBondContact O-N 2.97Å; E205-C207 VanDerWaalsContact C-N 3.34Å; E205-C207 PolarHBondContact O-N 3.01Å; E205-G208 WeakPolarHBondContact O-CA 3.44Å; E205-G208 PolarHBondContact O-N 3.11Å; E205-L210 HydrophobicContact CG-CD1 3.95Å; E205-Y232 WeakPolarHBondContact OE1-CE1 3.39Å; E205-Y232 PolarHBondContact OE1-OH 2.89Å; E205-Y232 VanDerWaalsContact OE1-OH 3.06Å; E205-Y232 PolarHBondContact OE2-OH 3.18Å; E205-R238 IonicContact OE1-NH1 3.24Å; E205-R238 IonicContact OE2-CZ 2.74Å; E205-R238 IonicContact OE2-NH1 3.68Å; E205-R238 PolarHBondContact OE2-NH1 2.86Å; E205-Y239 WeakPolarHBondContact CG-OH 3.32Å; E205-Y239 VanDerWaalsContact OE1-CE2 3.26Å; E205-Y239 WeakPolarHBondContact OE1-CE2 3.49Å; E205-Y239 PolarHBondContact OE1-OH 3.12Å
206E98.3Very high98.5Very high150 Ų15040.4 Ų40.470%0.70120%0.203SC*.Hα-helixtrans-61.8-40.4-179.8-73.4170.2-168.800112K202 L203 G208K202-E206 VanDerWaalsContact O-CG 3.32Å; K202-E206 WeakPolarHBondContact O-CG 3.47Å; K202-E206 PolarHBondContact O-N 2.88Å; L203-E206 PolarHBondContact O-N 2.85Å; E206-G208 PolarHBondContact O-N 2.93Å
207C98.3Very high98.6Very high38 Ų3836 Ų3626%0.25719%0.187SC..THydrogen-bonded Turntrans-74.9-4.3175.8-64.40000112.9K177 L203 E205 L209K177-C207 WeakPolarHBondContact CE-O 3.3Å; K177-C207 PolarHBondContact NZ-O 2.99Å; L203-C207 VanDerWaalsContact O-CB 3.3Å; L203-C207 WeakPolarHBondContact O-CB 3.39Å; L203-C207 PolarHBondContact O-N 2.83Å; L203-C207 PolarHBondContact O-SG 3.35Å; E205-C207 VanDerWaalsContact C-N 3.34Å; E205-C207 PolarHBondContact O-N 3.01Å; C207-L209 VanDerWaalsContact C-N 3.31Å; C207-L209 HydrophobicContact CB-CD1 3.9Å; C207-L209 HydrophobicContact CB-CG 3.89Å; C207-L209 PolarHBondContact O-N 3.09Å
208G98.1Very high98.6Very high30 Ų3036 Ų3631%0.30919%0.187SC..THydrogen-bonded Turntrans60.240.7-177.600000112.4K177 M204 E205 E206K177-G208 WeakPolarHBondContact CE-O 3.36Å; K177-G208 PolarHBondContact NZ-O 3.46Å; M204-G208 PolarHBondContact O-N 3.05Å; E205-G208 WeakPolarHBondContact O-CA 3.44Å; E205-G208 PolarHBondContact O-N 3.11Å; E206-G208 PolarHBondContact O-N 2.93Å
209L98.7Very high98.5Very high0 Ų034.9 Ų34.90%018%0.181CC..  trans-91.6-4.9177.7-67.5171.4000112.8I173 M176 K177 T184 F185 M204 C207I173-L209 HydrophobicContact CG2-CD1 3.72Å; I173-L209 WeakPolarHBondContact O-CD1 3.28Å; M176-L209 HydrophobicContact CB-CD1 4.06Å; M176-L209 HydrophobicContact CB-CD2 3.86Å; M176-L209 HydrophobicContact CG-CD1 4.14Å; K177-L209 HydrophobicContact CD-CD2 4.45Å; K177-L209 HydrophobicContact CG-CD2 3.74Å; T184-L209 CarbonylContact C-O 3.59Å; T184-L209 WeakPolarHBondContact CA-O 3.42Å; T184-L209 WeakPolarHBondContact CB-O 3.16Å; F185-L209 HydrophobicContact CD2-CB 4.25Å; F185-L209 HydrophobicContact CE2-CD1 4.43Å; F185-L209 HydrophobicContact CE2-CD2 4.24Å; F185-L209 PolarHBondContact N-O 2.68Å; M204-L209 HydrophobicContact CB-CB 4.34Å; M204-L209 HydrophobicContact CG-CD1 4.32Å; M204-L209 PolarHBondContact O-N 2.92Å; C207-L209 VanDerWaalsContact C-N 3.31Å; C207-L209 HydrophobicContact CB-CD1 3.9Å; C207-L209 HydrophobicContact CB-CG 3.89Å; C207-L209 PolarHBondContact O-N 3.09Å
210L98.6Very high98.3Very high14 Ų1432.9 Ų32.97%0.07317%0.167CC..EExtended strand (participates in β ladder)trans-110134.1175.3-53.3-178.4000109.6V188 M204 E205 L216 Y239 F262V188-L210 HydrophobicContact CG2-CD2 4.1Å; M204-L210 HydrophobicContact CB-CD1 4.41Å; M204-L210 HydrophobicContact CB-CD2 4.38Å; M204-L210 HydrophobicContact CB-CG 4.17Å; E205-L210 HydrophobicContact CG-CD1 3.95Å; L210-L216 HydrophobicContact CD1-CD1 3.91Å; L210-L216 HydrophobicContact CD2-CD1 3.84Å; L210-Y239 VanDerWaalsContact CD1-OH 3.31Å; L210-Y239 WeakPolarHBondContact CD1-OH 3.32Å; L210-F262 HydrophobicContact CB-CD1 3.58Å; L210-F262 HydrophobicContact CB-CE1 3.83Å; L210-F262 HydrophobicContact CB-CG 4.08Å; L210-F262 HydrophobicContact CB-CZ 4.49Å; L210-F262 HydrophobicContact CD1-CD2 4.46Å; L210-F262 HydrophobicContact CD1-CG 4.39Å
211R98.1Very high98.1Very high112 Ų11233 Ų3342%0.42317%0.169SC..EExtended strand (participates in β ladder)trans-111.7160.417157.3174-171.283.5-6.7109.6T184 D186 G213 S214 F262T184-R211 HydrophobicContact CG2-CB 4Å; T184-R211 HydrophobicContact CG2-CG 4.43Å; T184-R211 WeakPolarHBondContact OG1-CD 3.47Å; D186-R211 IonicContact OD1-CZ 3.66Å; D186-R211 VanDerWaalsContact OD1-CZ 3.24Å; D186-R211 IonicContact OD1-NE 2.98Å; D186-R211 PolarHBondContact OD1-NE 2.97Å; D186-R211 IonicContact OD1-NH2 3.05Å; D186-R211 PolarHBondContact OD1-NH2 3Å; R211-G213 PolarHBondContact O-N 3.41Å; R211-G213 VanDerWaalsContact O-N 3.11Å; R211-S214 WeakPolarHBondContact CG-OG 3.4Å; R211-S214 PolarHBondContact N-OG 3.38Å; R211-S214 VanDerWaalsContact O-CB 3.23Å; R211-S214 WeakPolarHBondContact O-CB 3.37Å; R211-S214 PolarHBondContact O-N 3.4Å; R211-S214 PolarHBondContact O-OG 2.95Å; R211-F262 WeakPolarHBondContact O-CD1 3.47Å
212K98.4Very high97.8Very high154 Ų15436.8 Ų36.867%0.6719%0.188SC*.EExtended strand (participates in β ladder)trans-51.6125.6170.3-174.5172.9-174.5173.70110F262 L263K212-F262 WeakPolarHBondContact CA-O 3.43Å; K212-L263 WeakPolarHBondContact CD-O 3.43Å
213G98.4Very high97.2Very high32 Ų3233.7 Ų33.733%0.3318%0.176SC..EExtended strand (participates in β ladder)trans92-6.3-174.400000115.6R211 I215 F262R211-G213 PolarHBondContact O-N 3.41Å; R211-G213 VanDerWaalsContact O-N 3.11Å; G213-I215 PolarHBondContact O-N 2.87Å; G213-F262 PolarHBondContact N-O 2.95Å
214S98.8Very high96.6Very high0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-57.8136.2169-68.60000109.8F185 D186 R211 F262F185-S214 WeakPolarHBondContact O-CB 3.39Å; F185-S214 PolarHBondContact O-OG 3.14Å; D186-S214 WeakPolarHBondContact O-CA 3.34Å; R211-S214 WeakPolarHBondContact CG-OG 3.4Å; R211-S214 PolarHBondContact N-OG 3.38Å; R211-S214 VanDerWaalsContact O-CB 3.23Å; R211-S214 WeakPolarHBondContact O-CB 3.37Å; R211-S214 PolarHBondContact O-N 3.4Å; R211-S214 PolarHBondContact O-OG 2.95Å; S214-F262 PolarHBondContact O-N 2.94Å
215I98.8Very high96.1Very high11 Ų1136.8 Ų36.86%0.05620%0.201CC..EExtended strand (participates in β ladder)trans-108.1127.2179.5-63-164000109.8V103 V107 D186 L187 V188 G213 K259 V261V103-I215 HydrophobicContact CG1-CG2 4.32Å; V107-I215 HydrophobicContact CG2-CD1 3.31Å; V107-I215 HydrophobicContact CG2-CG1 4.15Å; D186-I215 PolarHBondContact O-N 2.85Å; L187-I215 CarbonylContact C-O 3.57Å; L187-I215 WeakPolarHBondContact CA-O 3.41Å; L187-I215 HydrophobicContact CD1-CB 4.07Å; L187-I215 HydrophobicContact CD1-CG2 3.9Å; V188-I215 PolarHBondContact N-O 2.84Å; G213-I215 PolarHBondContact O-N 2.87Å; I215-K259 HydrophobicContact CD1-CD 4.31Å; I215-K259 HydrophobicContact CG2-CD 4.26Å; I215-K259 HydrophobicContact CG2-CG 3.71Å; I215-V261 HydrophobicContact CD1-CG2 4.24Å; I215-V261 HydrophobicContact CG1-CG2 4.25Å
216L98.9Very high95.9Very high0 Ų035.8 Ų35.80%020%0.196CC..EExtended strand (participates in β ladder)trans-98.3121.9164.6-78.363.3000107.1V188 L190 T201 M204 L210 Y239 K259 S260V188-L216 HydrophobicContact CB-CG 4.27Å; V188-L216 CarbonylContact O-C 3.56Å; V188-L216 WeakPolarHBondContact O-CA 3.3Å; L190-L216 HydrophobicContact CD1-CB 4.04Å; L190-L216 HydrophobicContact CD1-CD2 4.5Å; L190-L216 HydrophobicContact CD1-CG 4.21Å; T201-L216 HydrophobicContact CG2-CD2 3.63Å; M204-L216 HydrophobicContact CE-CD2 4.45Å; L210-L216 HydrophobicContact CD1-CD1 3.91Å; L210-L216 HydrophobicContact CD2-CD1 3.84Å; L216-Y239 HydrophobicContact CD1-CE1 4.32Å; L216-Y239 HydrophobicContact CD2-CE1 4.27Å; L216-K259 CarbonylContact O-C 3.49Å; L216-K259 WeakPolarHBondContact O-CA 3.2Å; L216-S260 PolarHBondContact N-O 3.14Å; L216-S260 PolarHBondContact O-N 3.38Å
217L98.9Very high95.8Very high0 Ų033.3 Ų33.30%019%0.194CC..EExtended strand (participates in β ladder)trans-114.6109.7173.1-17666.2000107.9L100 V103 L187 V188 F189 L190 L257 E258 K259L100-L217 HydrophobicContact CB-CD2 4.45Å; L100-L217 HydrophobicContact CD1-CD2 3.56Å; V103-L217 HydrophobicContact CB-CD2 4.1Å; V103-L217 HydrophobicContact CG1-CD2 4.14Å; V103-L217 HydrophobicContact CG2-CD1 4.43Å; V103-L217 HydrophobicContact CG2-CD2 4.26Å; L187-L217 HydrophobicContact CD1-CB 4.28Å; V188-L217 PolarHBondContact O-N 2.96Å; F189-L217 WeakPolarHBondContact CA-O 3.36Å; F189-L217 HydrophobicContact CD2-CB 4.24Å; F189-L217 HydrophobicContact CD2-CD2 4.18Å; F189-L217 HydrophobicContact CD2-CG 4.18Å; F189-L217 VanDerWaalsContact CD2-O 3.27Å; F189-L217 WeakPolarHBondContact CD2-O 3.42Å; F189-L217 HydrophobicContact CE2-CD2 4.43Å; F189-L217 HydrophobicContact CE2-CG 4.43Å; L190-L217 PolarHBondContact N-O 3.36Å; L217-L257 HydrophobicContact CD1-CB 3.87Å; L217-L257 HydrophobicContact CD1-CD2 4.06Å; L217-L257 HydrophobicContact CD2-CD2 4.11Å; L217-L257 HydrophobicContact CG-CD2 3.93Å; L217-E258 WeakPolarHBondContact CA-O 3.43Å; L217-K259 HydrophobicContact CD1-CB 4.11Å
218A98.7Very high95.7Very high0 Ų034.3 Ų34.30%020%0.196CC..EExtended strand (participates in β ladder)trans-104.2124.3-175.400000110.2L190 Y197 V221 Y229 L257 E258L190-A218 HydrophobicContact CB-CB 4.32Å; L190-A218 HydrophobicContact CD1-CB 4.43Å; Y197-A218 HydrophobicContact CD2-CB 3.96Å; Y197-A218 HydrophobicContact CE2-CB 3.75Å; A218-V221 HydrophobicContact CB-CG1 3.76Å; A218-V221 WeakPolarHBondContact O-CG1 3.23Å; A218-Y229 HydrophobicContact CB-CD1 4.39Å; A218-Y229 HydrophobicContact CB-CE1 3.55Å; A218-L257 CarbonylContact O-C 3.51Å; A218-L257 WeakPolarHBondContact O-CA 3.26Å; A218-L257 WeakPolarHBondContact O-CB 3.4Å; A218-E258 PolarHBondContact N-O 3.13Å; A218-E258 PolarHBondContact O-N 3.39Å
219D97.8Very high95.8Very high1 Ų132.9 Ų32.91%0.00518%0.181CC..SBendtrans-87.2159.7172.8-165.121.2000111.9V92 K96 F189 L190 D191 Y197 V221 L257V92-D219 WeakPolarHBondContact CG2-OD2 3.49Å; K96-D219 WeakPolarHBondContact CD-OD1 3.32Å; K96-D219 WeakPolarHBondContact CE-OD1 3.45Å; K96-D219 IonicContact NZ-OD1 3.07Å; K96-D219 PolarHBondContact NZ-OD1 3.39Å; K96-D219 IonicContact NZ-OD2 3.6Å; K96-D219 PolarHBondContact NZ-OD2 3.13Å; F189-D219 HydrophobicContact CE2-CB 4.13Å; F189-D219 HydrophobicContact CZ-CB 4.01Å; L190-D219 PolarHBondContact O-N 3.41Å; D191-D219 HydrophobicContact CB-CB 4.28Å; Y197-D219 WeakPolarHBondContact CE2-O 3.31Å; Y197-D219 PolarHBondContact OH-O 3.39Å; D219-V221 VanDerWaalsContact C-N 3.33Å; D219-V221 PolarHBondContact O-N 2.75Å; D219-L257 HydrophobicContact CB-CD2 4.35Å
220N94.1Very high95.7Very high10 Ų1033.7 Ų33.75%0.05319%0.186CC..  trans60.135.3175.2-60.4131.6000114.7K96 D191 K194 I222 C223 G225 D255 G256K96-N220 PolarHBondContact NZ-ND2 2.78Å; D191-N220 PolarHBondContact OD1-OD1 2.88Å; K194-N220 HydrophobicContact CD-CB 4.26Å; K194-N220 VanDerWaalsContact CE-CB 3.48Å; K194-N220 WeakPolarHBondContact CE-OD1 3.46Å; K194-N220 PolarHBondContact NZ-OD1 3.07Å; N220-I222 PolarHBondContact O-N 3.14Å; N220-C223 WeakPolarHBondContact CB-O 3.43Å; N220-C223 PolarHBondContact ND2-O 3.39Å; N220-C223 VanDerWaalsContact ND2-O 3.11Å; N220-G225 WeakPolarHBondContact O-CA 3.2Å; N220-G225 PolarHBondContact O-N 3.4Å; N220-G225 VanDerWaalsContact O-N 3.13Å; N220-D255 WeakPolarHBondContact CA-OD1 3.27Å; N220-D255 WeakPolarHBondContact CA-OD2 3.3Å; N220-D255 PolarHBondContact ND2-OD2 3.2Å; N220-G256 PolarHBondContact N-O 2.86Å
221V93.4Very high95.7Very high4 Ų439.4 Ų39.42%0.02421%0.212CC..Iπ-helixtrans-72-16.4-175.6-56.20000113.2A218 D219 T226 L230 Y243 G256 E258A218-V221 HydrophobicContact CB-CG1 3.76Å; A218-V221 WeakPolarHBondContact O-CG1 3.23Å; D219-V221 VanDerWaalsContact C-N 3.33Å; D219-V221 PolarHBondContact O-N 2.75Å; V221-T226 HydrophobicContact CB-CG2 4.14Å; V221-T226 HydrophobicContact CG1-CG2 3.98Å; V221-L230 HydrophobicContact CB-CD1 4.01Å; V221-L230 HydrophobicContact CB-CD2 3.97Å; V221-L230 HydrophobicContact CB-CG 4.15Å; V221-L230 HydrophobicContact CG1-CD2 4.28Å; V221-L230 HydrophobicContact CG2-CD1 4.34Å; V221-L230 HydrophobicContact CG2-CD2 4.29Å; V221-L230 WeakPolarHBondContact O-CD1 3.16Å; V221-Y243 HydrophobicContact CG2-CD2 4.12Å; V221-Y243 HydrophobicContact CG2-CE2 3.84Å; V221-G256 PolarHBondContact N-O 3.49Å; V221-E258 HydrophobicContact CG1-CB 3.91Å; V221-E258 HydrophobicContact CG2-CB 4.28Å
222I93.1Very high95.7Very high79 Ų7936.7 Ų36.741%0.40520%0.202SC..Iπ-helixtrans-104.3-43.9174.1-56.9-54.7000111.3N220 Y243 D255N220-I222 PolarHBondContact O-N 3.14Å; I222-Y243 HydrophobicContact CD1-CE2 4.26Å; I222-Y243 HydrophobicContact CG1-CE2 3.91Å; I222-Y243 VanDerWaalsContact CG1-OH 3.28Å; I222-Y243 WeakPolarHBondContact CG1-OH 3.4Å; I222-D255 PolarHBondContact N-OD1 2.92Å
223C85.9Confident95.7Very high13 Ų1329.3 Ų29.39%0.08817%0.17CC..Iπ-helixtrans-137119.9-179.7-170.60000112.1A32 N220 G225 D255A32-C223 WeakPolarHBondContact CB-SG 3.48Å; N220-C223 WeakPolarHBondContact CB-O 3.43Å; N220-C223 PolarHBondContact ND2-O 3.39Å; N220-C223 VanDerWaalsContact ND2-O 3.11Å; C223-G225 VanDerWaalsContact C-N 3.25Å; C223-D255 PolarHBondContact N-OD1 2.92Å
224P86.5Confident95.7Very high85 Ų8533.7 Ų33.755%0.55218%0.177SC*.Iπ-helixcis-71.7-8.62.326.7-34.6000115K194K194-P224 HydrophobicContact CG-CG 3.88Å
225G88.3Confident95.7Very high16 Ų1639.7 Ų39.717%0.16521%0.209CC..Iπ-helixtrans98.6151.3172.400000113.9N220 C223N220-G225 WeakPolarHBondContact O-CA 3.2Å; N220-G225 PolarHBondContact O-N 3.4Å; N220-G225 VanDerWaalsContact O-N 3.13Å; C223-G225 VanDerWaalsContact C-N 3.25Å
226T93.6Very high95.7Very high2 Ų240 Ų401%0.01221%0.212CC..  trans-141.872.8174.8176.30000109.5K194 Y197 V221 D228 Y229 L230K194-T226 PolarHBondContact O-OG1 3.42Å; Y197-T226 HydrophobicContact CD2-CG2 3.79Å; Y197-T226 HydrophobicContact CE2-CG2 4.13Å; Y197-T226 HydrophobicContact CG-CG2 4.5Å; V221-T226 HydrophobicContact CB-CG2 4.14Å; V221-T226 HydrophobicContact CG1-CG2 3.98Å; T226-D228 VanDerWaalsContact C-N 3.35Å; T226-D228 PolarHBondContact O-N 3.15Å; T226-D228 PolarHBondContact OG1-OD1 2.9Å; T226-Y229 HydrophobicContact CG2-CD1 3.99Å; T226-Y229 HydrophobicContact CG2-CG 4.43Å; T226-Y229 PolarHBondContact O-N 2.92Å; T226-Y229 WeakPolarHBondContact OG1-CB 3.38Å; T226-L230 PolarHBondContact O-N 2.78Å
227P95.9Very high95.6Very high99 Ų9945.6 Ų45.664%0.64325%0.248SC*.Hα-helixtrans-67-35.2-168.425.8-34000112.9L230 E231P227-L230 PolarHBondContact O-N 3.49Å; P227-E231 VanDerWaalsContact O-CB 3.29Å; P227-E231 WeakPolarHBondContact O-CB 3.31Å; P227-E231 PolarHBondContact O-N 2.87Å
228D97.6Very high95.6Very high58 Ų5849 Ų4931%0.3126%0.261SS..Hα-helixtrans-66.9-42178.463.8-29.7000112.1L198 T226 Y232L198-D228 HydrophobicContact CD2-CB 3.84Å; T226-D228 VanDerWaalsContact C-N 3.35Å; T226-D228 PolarHBondContact O-N 3.15Å; T226-D228 PolarHBondContact OG1-OD1 2.9Å; D228-Y232 WeakPolarHBondContact O-CB 3.3Å; D228-Y232 PolarHBondContact O-N 3.31Å
229Y98.4Very high95.6Very high0 Ų049.8 Ų49.80%026%0.264CS..Hα-helixtrans-61.8-48.6171.3172.3-100.7000111.4L190 Y197 T201 A218 T226 E231 Y232 I233L190-Y229 HydrophobicContact CD2-CE2 4.5Å; Y197-Y229 HydrophobicContact CD2-CD1 4.32Å; Y197-Y229 HydrophobicContact CD2-CG 4.39Å; T201-Y229 HydrophobicContact CG2-CE2 4.38Å; T201-Y229 WeakPolarHBondContact OG1-CE2 3.03Å; A218-Y229 HydrophobicContact CB-CD1 4.39Å; A218-Y229 HydrophobicContact CB-CE1 3.55Å; T226-Y229 HydrophobicContact CG2-CD1 3.99Å; T226-Y229 HydrophobicContact CG2-CG 4.43Å; T226-Y229 PolarHBondContact O-N 2.92Å; T226-Y229 WeakPolarHBondContact OG1-CB 3.38Å; Y229-E231 PolarHBondContact O-N 3.07Å; Y229-Y232 PolarHBondContact O-N 3.38Å; Y229-I233 HydrophobicContact CE1-CG2 4.22Å; Y229-I233 HydrophobicContact CE2-CD1 4.31Å; Y229-I233 HydrophobicContact CE2-CG1 4.39Å; Y229-I233 WeakPolarHBondContact O-CB 3.41Å; Y229-I233 PolarHBondContact O-N 2.98Å
230L98.4Very high95.6Very high17 Ų1756.9 Ų56.99%0.08930%0.295CS..Hα-helixtrans-62.5-42.7179.6-76-176.5000112V221 T226 P227 Y232 I233 R234 E258V221-L230 HydrophobicContact CB-CD1 4.01Å; V221-L230 HydrophobicContact CB-CD2 3.97Å; V221-L230 HydrophobicContact CB-CG 4.15Å; V221-L230 HydrophobicContact CG1-CD2 4.28Å; V221-L230 HydrophobicContact CG2-CD1 4.34Å; V221-L230 HydrophobicContact CG2-CD2 4.29Å; V221-L230 WeakPolarHBondContact O-CD1 3.16Å; T226-L230 PolarHBondContact O-N 2.78Å; P227-L230 PolarHBondContact O-N 3.49Å; L230-Y232 VanDerWaalsContact C-N 3.34Å; L230-I233 PolarHBondContact O-N 3.23Å; L230-R234 VanDerWaalsContact O-CB 3.25Å; L230-R234 WeakPolarHBondContact O-CB 3.49Å; L230-R234 VanDerWaalsContact O-CG 3.28Å; L230-R234 WeakPolarHBondContact O-CG 3.16Å; L230-R234 PolarHBondContact O-N 3.17Å; L230-E258 HydrophobicContact CD2-CB 3.94Å; L230-E258 HydrophobicContact CD2-CG 3.82Å
231E98.2Very high95.8Very high135 Ų13558.3 Ų58.363%0.63131%0.305SS*.Hα-helixtrans-60-45.6176-177.1175.4-170.800110.8P227 Y229 N235P227-E231 VanDerWaalsContact O-CB 3.29Å; P227-E231 WeakPolarHBondContact O-CB 3.31Å; P227-E231 PolarHBondContact O-N 2.87Å; Y229-E231 PolarHBondContact O-N 3.07Å; E231-N235 WeakPolarHBondContact O-CB 3.18Å; E231-N235 PolarHBondContact O-N 3.44Å; E231-N235 PolarHBondContact O-ND2 2.9Å
232Y98.5Very high96Very high54 Ų5462.8 Ų62.821%0.21233%0.326CS..Hα-helixtrans-63.7-51.6177.4179.2-101000112.2L198 T201 E205 D228 Y229 L230 R234 N235 S236 Y239L198-Y232 VanDerWaalsContact CD1-CB 3.47Å; L198-Y232 HydrophobicContact CD1-CD1 3.6Å; L198-Y232 HydrophobicContact CD1-CD2 4.07Å; L198-Y232 HydrophobicContact CD1-CE1 4.39Å; L198-Y232 HydrophobicContact CD1-CG 3.42Å; L198-Y232 VanDerWaalsContact CD1-CG 3.42Å; T201-Y232 HydrophobicContact CG2-CE1 4.45Å; E205-Y232 WeakPolarHBondContact OE1-CE1 3.39Å; E205-Y232 PolarHBondContact OE1-OH 2.89Å; E205-Y232 VanDerWaalsContact OE1-OH 3.06Å; E205-Y232 PolarHBondContact OE2-OH 3.18Å; D228-Y232 WeakPolarHBondContact O-CB 3.3Å; D228-Y232 PolarHBondContact O-N 3.31Å; Y229-Y232 PolarHBondContact O-N 3.38Å; L230-Y232 VanDerWaalsContact C-N 3.34Å; Y232-R234 PolarHBondContact O-N 3.23Å; Y232-N235 PolarHBondContact O-N 3.13Å; Y232-S236 WeakPolarHBondContact O-CB 3.36Å; Y232-S236 PolarHBondContact O-N 3.45Å; Y232-Y239 HydrophobicContact CE1-CE2 4.24Å
233I98.2Very high96.3Very high0 Ų062.3 Ų62.30%032%0.32CS..Hα-helixtrans-74.4-25.6-169.9-138.966.5000113.4T201 Y229 L230 Y239 S241 E258 S260T201-I233 HydrophobicContact CG2-CD1 4.17Å; Y229-I233 HydrophobicContact CE1-CG2 4.22Å; Y229-I233 HydrophobicContact CE2-CD1 4.31Å; Y229-I233 HydrophobicContact CE2-CG1 4.39Å; Y229-I233 WeakPolarHBondContact O-CB 3.41Å; Y229-I233 PolarHBondContact O-N 2.98Å; L230-I233 PolarHBondContact O-N 3.23Å; I233-Y239 HydrophobicContact CD1-CD1 3.63Å; I233-Y239 HydrophobicContact CD1-CD2 3.36Å; I233-Y239 HydrophobicContact CD1-CE1 3.64Å; I233-Y239 HydrophobicContact CD1-CE2 3.38Å; I233-Y239 HydrophobicContact CD1-CG 3.48Å; I233-Y239 VanDerWaalsContact CD1-CG 3.48Å; I233-Y239 HydrophobicContact CG1-CD1 3.93Å; I233-Y239 HydrophobicContact CG1-CD2 4.09Å; I233-Y239 HydrophobicContact CG1-CE1 4.37Å; I233-Y239 HydrophobicContact CG1-CG 3.76Å; I233-Y239 WeakPolarHBondContact O-CB 3.43Å; I233-S241 PolarHBondContact O-OG 3.02Å; I233-E258 HydrophobicContact CG2-CG 4.27Å; I233-S260 WeakPolarHBondContact CG1-OG 3.28Å; I233-S260 WeakPolarHBondContact CG2-OG 3.38Å
234R98.4Very high96.8Very high124 Ų12463.9 Ų63.947%0.46833%0.325SS..Hα-helixtrans-85.5-26177.8-68.3175.9173.7171.31.3112.9L230 Y232 E258L230-R234 VanDerWaalsContact O-CB 3.25Å; L230-R234 WeakPolarHBondContact O-CB 3.49Å; L230-R234 VanDerWaalsContact O-CG 3.28Å; L230-R234 WeakPolarHBondContact O-CG 3.16Å; L230-R234 PolarHBondContact O-N 3.17Å; Y232-R234 PolarHBondContact O-N 3.23Å; R234-E258 IonicContact CZ-OE1 3.28Å; R234-E258 IonicContact CZ-OE2 2.78Å; R234-E258 IonicContact NE-OE1 3.69Å; R234-E258 PolarHBondContact NE-OE1 2.89Å; R234-E258 IonicContact NE-OE2 3.92Å; R234-E258 IonicContact NH2-OE1 2.69Å; R234-E258 PolarHBondContact NH2-OE1 2.84Å; R234-E258 IonicContact NH2-OE2 3.1Å; R234-E258 PolarHBondContact NH2-OE2 3.36Å
235N98.3Very high97.3Very high126 Ų12668.1 Ų68.167%0.67433%0.33SS*.Hα-helixtrans-100.2-9.6-179.5-64.7-55.2000113.7E231 Y232E231-N235 WeakPolarHBondContact O-CB 3.18Å; E231-N235 PolarHBondContact O-N 3.44Å; E231-N235 PolarHBondContact O-ND2 2.9Å; Y232-N235 PolarHBondContact O-N 3.13Å
236S97.9Very high97.6Very high17 Ų1767.9 Ų67.912%0.11933%0.326CS..  trans-79.2128.6177.1178.80000111.5Y232 R238 Y239Y232-S236 WeakPolarHBondContact O-CB 3.36Å; Y232-S236 PolarHBondContact O-N 3.45Å; S236-R238 PolarHBondContact O-N 2.86Å; S236-R238 VanDerWaalsContact O-N 3.11Å; S236-R238 WeakPolarHBondContact OG-CB 3.43Å; S236-R238 PolarHBondContact OG-N 2.84Å; S236-Y239 PolarHBondContact O-N 3.42Å
237P97.8Very high97.5Very high117 Ų11771.4 Ų71.476%0.7634%0.342SS*.THydrogen-bonded Turntrans-67.3-10.717530.3-36.1000112.8Y239P237-Y239 PolarHBondContact O-N 2.88Å
238R98.1Very high96.9Very high73 Ų7366.9 Ų66.928%0.27531%0.312SS..THydrogen-bonded Turntrans-80.9-3.1178.7-55.7175.471.8-162.45112.5E205 S236 F262 L263 G264E205-R238 IonicContact OE1-NH1 3.24Å; E205-R238 IonicContact OE2-CZ 2.74Å; E205-R238 IonicContact OE2-NH1 3.68Å; E205-R238 PolarHBondContact OE2-NH1 2.86Å; S236-R238 PolarHBondContact O-N 2.86Å; S236-R238 VanDerWaalsContact O-N 3.11Å; S236-R238 WeakPolarHBondContact OG-CB 3.43Å; S236-R238 PolarHBondContact OG-N 2.84Å; R238-F262 HydrophobicContact CB-CD2 4.26Å; R238-F262 HydrophobicContact CB-CE2 3.9Å; R238-F262 VanDerWaalsContact NH2-CZ 3.3Å; R238-F262 CarbonylContact O-C 3.57Å; R238-F262 WeakPolarHBondContact O-CA 3.27Å; R238-F262 WeakPolarHBondContact O-CD2 3.37Å; R238-L263 PolarHBondContact O-N 3.46Å; R238-G264 PolarHBondContact NE-OXT 2.94Å; R238-G264 PolarHBondContact NH2-OXT 3.3Å
239Y98.7Very high96.2Very high15 Ų1564.7 Ų64.76%0.05930%0.3CS..EExtended strand (participates in β ladder)trans-133.2145.1-178-68.2-86.8000112.4E205 L210 L216 Y232 I233 S236 P237 V261 F262E205-Y239 WeakPolarHBondContact CG-OH 3.32Å; E205-Y239 VanDerWaalsContact OE1-CE2 3.26Å; E205-Y239 WeakPolarHBondContact OE1-CE2 3.49Å; E205-Y239 PolarHBondContact OE1-OH 3.12Å; L210-Y239 VanDerWaalsContact CD1-OH 3.31Å; L210-Y239 WeakPolarHBondContact CD1-OH 3.32Å; L216-Y239 HydrophobicContact CD1-CE1 4.32Å; L216-Y239 HydrophobicContact CD2-CE1 4.27Å; Y232-Y239 HydrophobicContact CE1-CE2 4.24Å; I233-Y239 HydrophobicContact CD1-CD1 3.63Å; I233-Y239 HydrophobicContact CD1-CD2 3.36Å; I233-Y239 HydrophobicContact CD1-CE1 3.64Å; I233-Y239 HydrophobicContact CD1-CE2 3.38Å; I233-Y239 HydrophobicContact CD1-CG 3.48Å; I233-Y239 VanDerWaalsContact CD1-CG 3.48Å; I233-Y239 HydrophobicContact CG1-CD1 3.93Å; I233-Y239 HydrophobicContact CG1-CD2 4.09Å; I233-Y239 HydrophobicContact CG1-CE1 4.37Å; I233-Y239 HydrophobicContact CG1-CG 3.76Å; I233-Y239 WeakPolarHBondContact O-CB 3.43Å; S236-Y239 PolarHBondContact O-N 3.42Å; P237-Y239 PolarHBondContact O-N 2.88Å; Y239-V261 CarbonylContact C-O 3.53Å; Y239-V261 VanDerWaalsContact CA-O 3.32Å; Y239-V261 WeakPolarHBondContact CA-O 3.33Å; Y239-F262 HydrophobicContact CD1-CB 4.2Å; Y239-F262 HydrophobicContact CD1-CD2 4.17Å; Y239-F262 HydrophobicContact CD2-CD2 4.44Å; Y239-F262 HydrophobicContact CE1-CB 3.8Å; Y239-F262 AromaticContact CE1-CD2 3.57Å; Y239-F262 HydrophobicContact CE1-CD2 3.57Å; Y239-F262 HydrophobicContact CE1-CG 4.12Å; Y239-F262 AromaticContact CE2-CD2 3.87Å; Y239-F262 HydrophobicContact CE2-CD2 3.87Å; Y239-F262 HydrophobicContact CE2-CE2 4.24Å; Y239-F262 AromaticContact CZ-CD2 3.4Å; Y239-F262 VanDerWaalsContact CZ-CD2 3.4Å
240K98.5Very high95.4Very high151 Ų15166.7 Ų66.766%0.65731%0.308SS*.EExtended strand (participates in β ladder)trans-113.9113.4162.9-177.7176.9180-179.10108.6V261 L263K240-V261 PolarHBondContact N-O 2.89Å; K240-V261 PolarHBondContact O-N 3.5Å; K240-L263 HydrophobicContact CB-CD1 4.18Å; K240-L263 HydrophobicContact CB-CD2 4.33Å
241S98.1Very high94.6Very high39 Ų3966.7 Ų66.727%0.27331%0.309SS..EExtended strand (participates in β ladder)trans-107.9146.1-171.6-57.30000112.6I233 E258 K259 S260I233-S241 PolarHBondContact O-OG 3.02Å; S241-E258 WeakPolarHBondContact CB-OE1 3.26Å; S241-K259 CarbonylContact C-O 3.53Å; S241-K259 VanDerWaalsContact CA-O 3.25Å; S241-K259 WeakPolarHBondContact CA-O 3.17Å; S241-S260 PolarHBondContact OG-OG 3.4Å
242Q98.1Very high93.9Very high98 Ų9866 Ų6646%0.45830%0.304SS..EExtended strand (participates in β ladder)trans-139125.3176.6179-177.74.900108.9F244 K259Q242-F244 HydrophobicContact CB-CE2 4.16Å; Q242-F244 VanDerWaalsContact CD-CZ 3.42Å; Q242-F244 HydrophobicContact CG-CD2 4.45Å; Q242-F244 HydrophobicContact CG-CE2 3.81Å; Q242-F244 HydrophobicContact CG-CZ 4.01Å; Q242-K259 PolarHBondContact N-O 3.11Å; Q242-K259 PolarHBondContact O-N 2.91Å
243Y97.9Very high93.2Very high70 Ų7064.5 Ų64.528%0.27530%0.3SS..EExtended strand (participates in β ladder)trans-85.9135.7175.7178.5-115.7000111.6V221 I222 R245 D255 E258V221-Y243 HydrophobicContact CG2-CD2 4.12Å; V221-Y243 HydrophobicContact CG2-CE2 3.84Å; I222-Y243 HydrophobicContact CD1-CE2 4.26Å; I222-Y243 HydrophobicContact CG1-CE2 3.91Å; I222-Y243 VanDerWaalsContact CG1-OH 3.28Å; I222-Y243 WeakPolarHBondContact CG1-OH 3.4Å; Y243-R245 HydrophobicContact CD1-CB 4.42Å; Y243-R245 HydrophobicContact CE1-CB 3.71Å; Y243-R245 HydrophobicContact CE1-CG 4.16Å; Y243-D255 PolarHBondContact OH-O 3.47Å; Y243-D255 VanDerWaalsContact OH-O 3.05Å; Y243-E258 WeakPolarHBondContact CB-OE2 3.49Å
244F97.3Very high92.8Very high46 Ų4668.3 Ų68.320%0.20232%0.318CS..EExtended strand (participates in β ladder)trans-115.1103.2173.4-66.4-93.9000109.5I99 Q242 G256 L257 K259I99-F244 HydrophobicContact CD1-CB 4.01Å; I99-F244 HydrophobicContact CG2-CB 3.93Å; I99-F244 HydrophobicContact CG2-CD1 3.92Å; I99-F244 HydrophobicContact CG2-CD2 4.42Å; I99-F244 HydrophobicContact CG2-CG 3.83Å; Q242-F244 HydrophobicContact CB-CE2 4.16Å; Q242-F244 VanDerWaalsContact CD-CZ 3.42Å; Q242-F244 HydrophobicContact CG-CD2 4.45Å; Q242-F244 HydrophobicContact CG-CE2 3.81Å; Q242-F244 HydrophobicContact CG-CZ 4.01Å; F244-G256 CarbonylContact O-C 3.48Å; F244-G256 WeakPolarHBondContact O-CA 3.16Å; F244-L257 PolarHBondContact N-O 3.34Å; F244-L257 PolarHBondContact O-N 2.87Å; F244-K259 HydrophobicContact CD2-CB 4.11Å; F244-K259 HydrophobicContact CE2-CB 3.51Å; F244-K259 HydrophobicContact CE2-CD 4.16Å; F244-K259 HydrophobicContact CE2-CG 4.42Å; F244-K259 HydrophobicContact CZ-CD 4.42Å
245R96.4Very high92.6Very high174 Ų17462.4 Ų62.466%0.65730%0.296SS*.EExtended strand (participates in β ladder)trans-67.6136.6177.4-168-180-168.3-156.7-3.8111.1Y243 E254Y243-R245 HydrophobicContact CD1-CB 4.42Å; Y243-R245 HydrophobicContact CE1-CB 3.71Å; Y243-R245 HydrophobicContact CE1-CG 4.16Å; R245-E254 IonicContact CZ-OE1 3.65Å; R245-E254 IonicContact CZ-OE2 3.49Å; R245-E254 VanDerWaalsContact NE-CD 3.26Å; R245-E254 IonicContact NE-OE1 2.87Å; R245-E254 PolarHBondContact NE-OE1 3.29Å; R245-E254 IonicContact NE-OE2 3.42Å; R245-E254 PolarHBondContact NE-OE2 3.48Å; R245-E254 IonicContact NH2-OE1 3.68Å; R245-E254 IonicContact NH2-OE2 2.75Å; R245-E254 PolarHBondContact NH2-OE2 2.9Å
246S95Very high92.4Very high11 Ų1156.4 Ų56.48%0.07726%0.264CS..EExtended strand (participates in β ladder)trans-154.6-155.2176.5-1640000110K96 D255K96-S246 WeakPolarHBondContact CG-OG 3.44Å; S246-D255 CarbonylContact C-O 3.55Å; S246-D255 VanDerWaalsContact C-O 3.24Å; S246-D255 PolarHBondContact N-O 3.22Å; S246-D255 PolarHBondContact O-N 3.48Å; S246-D255 VanDerWaalsContact O-N 3.11Å
247H91.6Very high92.4Very high76 Ų7655.6 Ų55.635%0.35226%0.258SS..EExtended strand (participates in β ladder)trans-125.1154173.9-5595000111.4E95 V253E95-H247 IonicContact OE2-CE1 2.71Å; E95-H247 IonicContact OE2-CG 3.08Å; E95-H247 IonicContact OE2-ND1 3.49Å; E95-H247 PolarHBondContact OE2-ND1 3.21Å; H247-V253 CarbonylContact C-O 3.51Å; H247-V253 WeakPolarHBondContact CA-O 3.21Å; H247-V253 WeakPolarHBondContact CB-O 3.31Å
248L84.2Confident92.4Very high3 Ų350.2 Ų50.22%0.01622%0.223CC..SBendtrans-60.8135.7168.8-179.176000108.9Y250 T251 V253 D255L248-Y250 PolarHBondContact O-N 3.49Å; L248-T251 WeakPolarHBondContact CB-OG1 3.4Å; L248-T251 HydrophobicContact CD2-CG2 4.36Å; L248-T251 PolarHBondContact O-N 2.63Å; L248-T251 PolarHBondContact O-OG1 3.28Å; L248-V253 HydrophobicContact CB-CB 4.16Å; L248-V253 HydrophobicContact CD2-CB 4.45Å; L248-V253 PolarHBondContact N-O 3.34Å; L248-D255 HydrophobicContact CB-CB 4.14Å
249E82.5Confident92.5Very high12 Ų1247.4 Ų47.46%0.05621%0.213CC..THydrogen-bonded Turntrans-45.9120-168.352.2-79.8175.900113.6W88 N91 K96 T251W88-E249 HydrophobicContact CZ2-CG 3.78Å; W88-E249 VanDerWaalsContact CZ2-OE1 3.3Å; W88-E249 WeakPolarHBondContact CZ2-OE1 3.18Å; W88-E249 PolarHBondContact NE1-O 3.3Å; N91-E249 WeakPolarHBondContact O-CB 3.4Å; N91-E249 VanDerWaalsContact O-CG 3.24Å; N91-E249 WeakPolarHBondContact O-CG 3.46Å; K96-E249 IonicContact NZ-OE2 3.43Å; K96-E249 PolarHBondContact NZ-OE2 2.86Å; E249-T251 WeakPolarHBondContact O-CG2 3.15Å; E249-T251 PolarHBondContact O-N 3.02Å
250Y82.4Confident92.5Very high42 Ų4246.7 Ų46.717%0.16521%0.21CC..THydrogen-bonded Turntrans61.717.3178.8-37.5-72.8000115.5D80 C83 R84 W88 L248D80-Y250 PolarHBondContact OD1-OH 3.36Å; C83-Y250 HydrophobicContact CB-CD1 4.39Å; C83-Y250 HydrophobicContact CB-CD2 3.85Å; C83-Y250 HydrophobicContact CB-CE1 3.91Å; C83-Y250 HydrophobicContact CB-CE2 3.34Å; C83-Y250 HydrophobicContact CB-CG 4.34Å; R84-Y250 HydrophobicContact CG-CD1 3.46Å; R84-Y250 VanDerWaalsContact CG-CD1 3.46Å; R84-Y250 HydrophobicContact CG-CE1 3.95Å; R84-Y250 HydrophobicContact CG-CG 4.34Å; W88-Y250 AromaticContact CD1-CD2 3.9Å; L248-Y250 PolarHBondContact O-N 3.49Å
251T81.3Confident92.5Very high17 Ų1741.3 Ų41.310%0.10419%0.19CC..SBendtrans-121.8-174.3176.379.80000111.8L248 E249 V253L248-T251 WeakPolarHBondContact CB-OG1 3.4Å; L248-T251 HydrophobicContact CD2-CG2 4.36Å; L248-T251 PolarHBondContact O-N 2.63Å; L248-T251 PolarHBondContact O-OG1 3.28Å; E249-T251 WeakPolarHBondContact O-CG2 3.15Å; E249-T251 PolarHBondContact O-N 3.02Å; T251-V253 PolarHBondContact OG1-N 2.89Å
252K83.3Confident92.5Very high122 Ų12239.9 Ų39.953%0.5318%0.178SC..SBendtrans-109.58.6172.4-63.7-176.8-178.91770112.9Q29 Y30Q29-K252 PolarHBondContact O-N 3.38Å; Y30-K252 HydrophobicContact CE1-CB 4.48Å; Y30-K252 HydrophobicContact CE1-CD 4.07Å
253V83.6Confident92.5Very high22 Ų2238.6 Ų38.613%0.13317%0.174CC..SBendtrans-75.3135.3177.7-177.80000108.6Q29 A32 H247 L248 T251 D255Q29-V253 WeakPolarHBondContact O-CG2 3.5Å; A32-V253 HydrophobicContact CB-CG1 4.08Å; H247-V253 CarbonylContact C-O 3.51Å; H247-V253 WeakPolarHBondContact CA-O 3.21Å; H247-V253 WeakPolarHBondContact CB-O 3.31Å; L248-V253 HydrophobicContact CB-CB 4.16Å; L248-V253 HydrophobicContact CD2-CB 4.45Å; L248-V253 PolarHBondContact N-O 3.34Å; T251-V253 PolarHBondContact OG1-N 2.89Å; V253-D255 PolarHBondContact O-N 2.9Å
254E89.7Confident92.3Very high80 Ų8038.5 Ų38.537%0.37419%0.194SC..EExtended strand (participates in β ladder)trans-62.8134.2176.1176.7166.4-176.800111.1R245R245-E254 IonicContact CZ-OE1 3.65Å; R245-E254 IonicContact CZ-OE2 3.49Å; R245-E254 VanDerWaalsContact NE-CD 3.26Å; R245-E254 IonicContact NE-OE1 2.87Å; R245-E254 PolarHBondContact NE-OE1 3.29Å; R245-E254 IonicContact NE-OE2 3.42Å; R245-E254 PolarHBondContact NE-OE2 3.48Å; R245-E254 IonicContact NH2-OE1 3.68Å; R245-E254 IonicContact NH2-OE2 2.75Å; R245-E254 PolarHBondContact NH2-OE2 2.9Å
255D93.1Very high92.1Very high0 Ų038.1 Ų38.10%019%0.194CC..EExtended strand (participates in β ladder)trans-145.8-173.5169-166.720.4000109.3K96 N220 I222 C223 Y243 S246 L248 V253K96-D255 IonicContact NZ-OD2 3.84Å; K96-D255 PolarHBondContact NZ-OD2 3.29Å; N220-D255 WeakPolarHBondContact CA-OD1 3.27Å; N220-D255 WeakPolarHBondContact CA-OD2 3.3Å; N220-D255 PolarHBondContact ND2-OD2 3.2Å; I222-D255 PolarHBondContact N-OD1 2.92Å; C223-D255 PolarHBondContact N-OD1 2.92Å; Y243-D255 PolarHBondContact OH-O 3.47Å; Y243-D255 VanDerWaalsContact OH-O 3.05Å; S246-D255 CarbonylContact C-O 3.55Å; S246-D255 VanDerWaalsContact C-O 3.24Å; S246-D255 PolarHBondContact N-O 3.22Å; S246-D255 PolarHBondContact O-N 3.48Å; S246-D255 VanDerWaalsContact O-N 3.11Å; L248-D255 HydrophobicContact CB-CB 4.14Å; V253-D255 PolarHBondContact O-N 2.9Å
256G94.8Very high91.8Very high0 Ų030.9 Ų30.90%017%0.17CC..EExtended strand (participates in β ladder)trans-176.9178.4170.300000113.7N220 V221 F244N220-G256 PolarHBondContact N-O 2.86Å; V221-G256 PolarHBondContact N-O 3.49Å; F244-G256 CarbonylContact O-C 3.48Å; F244-G256 WeakPolarHBondContact O-CA 3.16Å
257L98.2Very high91.7Very high0 Ų032.1 Ų32.10%018%0.175CC..EExtended strand (participates in β ladder)trans-112.1142.9174-55.994.8000110.7K96 I99 F189 L217 A218 D219 F244K96-L257 HydrophobicContact CB-CD1 3.8Å; K96-L257 HydrophobicContact CD-CD1 4.05Å; K96-L257 HydrophobicContact CG-CD1 3.77Å; I99-L257 HydrophobicContact CB-CD1 4.08Å; I99-L257 HydrophobicContact CD1-CD1 3.75Å; I99-L257 HydrophobicContact CG2-CD1 4.09Å; F189-L257 HydrophobicContact CE2-CD2 4.15Å; L217-L257 HydrophobicContact CD1-CB 3.87Å; L217-L257 HydrophobicContact CD1-CD2 4.06Å; L217-L257 HydrophobicContact CD2-CD2 4.11Å; L217-L257 HydrophobicContact CG-CD2 3.93Å; A218-L257 CarbonylContact O-C 3.51Å; A218-L257 WeakPolarHBondContact O-CA 3.26Å; A218-L257 WeakPolarHBondContact O-CB 3.4Å; D219-L257 HydrophobicContact CB-CD2 4.35Å; F244-L257 PolarHBondContact N-O 3.34Å; F244-L257 PolarHBondContact O-N 2.87Å
258E98.6Very high91.7Very high3 Ų329.5 Ų29.51%0.01416%0.164CC..EExtended strand (participates in β ladder)trans-102.3118.7168.8-165.582.9172.800109L217 A218 V221 L230 I233 R234 S241 Y243L217-E258 WeakPolarHBondContact CA-O 3.43Å; A218-E258 PolarHBondContact N-O 3.13Å; A218-E258 PolarHBondContact O-N 3.39Å; V221-E258 HydrophobicContact CG1-CB 3.91Å; V221-E258 HydrophobicContact CG2-CB 4.28Å; L230-E258 HydrophobicContact CD2-CB 3.94Å; L230-E258 HydrophobicContact CD2-CG 3.82Å; I233-E258 HydrophobicContact CG2-CG 4.27Å; R234-E258 IonicContact CZ-OE1 3.28Å; R234-E258 IonicContact CZ-OE2 2.78Å; R234-E258 IonicContact NE-OE1 3.69Å; R234-E258 PolarHBondContact NE-OE1 2.89Å; R234-E258 IonicContact NE-OE2 3.92Å; R234-E258 IonicContact NH2-OE1 2.69Å; R234-E258 PolarHBondContact NH2-OE1 2.84Å; R234-E258 IonicContact NH2-OE2 3.1Å; R234-E258 PolarHBondContact NH2-OE2 3.36Å; S241-E258 WeakPolarHBondContact CB-OE1 3.26Å; Y243-E258 WeakPolarHBondContact CB-OE2 3.49Å
259K98.7Very high92.1Very high15 Ų1531.1 Ų31.17%0.06517%0.174CC..EExtended strand (participates in β ladder)trans-92.3121.1168-175.1173.375.1170.10108.5V103 E106 I215 L216 L217 S241 Q242 F244V103-K259 HydrophobicContact CG1-CD 4.26Å; V103-K259 HydrophobicContact CG2-CD 4.1Å; E106-K259 IonicContact OE1-NZ 3.74Å; E106-K259 PolarHBondContact OE1-NZ 3.48Å; E106-K259 IonicContact OE2-NZ 2.84Å; E106-K259 PolarHBondContact OE2-NZ 3.24Å; I215-K259 HydrophobicContact CD1-CD 4.31Å; I215-K259 HydrophobicContact CG2-CD 4.26Å; I215-K259 HydrophobicContact CG2-CG 3.71Å; L216-K259 CarbonylContact O-C 3.49Å; L216-K259 WeakPolarHBondContact O-CA 3.2Å; L217-K259 HydrophobicContact CD1-CB 4.11Å; S241-K259 CarbonylContact C-O 3.53Å; S241-K259 VanDerWaalsContact CA-O 3.25Å; S241-K259 WeakPolarHBondContact CA-O 3.17Å; Q242-K259 PolarHBondContact N-O 3.11Å; Q242-K259 PolarHBondContact O-N 2.91Å; F244-K259 HydrophobicContact CD2-CB 4.11Å; F244-K259 HydrophobicContact CE2-CB 3.51Å; F244-K259 HydrophobicContact CE2-CD 4.16Å; F244-K259 HydrophobicContact CE2-CG 4.42Å; F244-K259 HydrophobicContact CZ-CD 4.42Å
260S98.8Very high92.8Very high0 Ų032.4 Ų32.40%018%0.182CC..EExtended strand (participates in β ladder)trans-124.2113.6179.1-62.40000110.2L216 I233 S241L216-S260 PolarHBondContact N-O 3.14Å; L216-S260 PolarHBondContact O-N 3.38Å; I233-S260 WeakPolarHBondContact CG1-OG 3.28Å; I233-S260 WeakPolarHBondContact CG2-OG 3.38Å; S241-S260 PolarHBondContact OG-OG 3.4Å
261V98.8Very high93.5Very high38 Ų3831.7 Ų31.723%0.2318%0.183CC..EExtended strand (participates in β ladder)trans-87.5120.5176.8-173.30000108.9I215 Y239 K240 L263I215-V261 HydrophobicContact CD1-CG2 4.24Å; I215-V261 HydrophobicContact CG1-CG2 4.25Å; Y239-V261 CarbonylContact C-O 3.53Å; Y239-V261 VanDerWaalsContact CA-O 3.32Å; Y239-V261 WeakPolarHBondContact CA-O 3.33Å; K240-V261 PolarHBondContact N-O 2.89Å; K240-V261 PolarHBondContact O-N 3.5Å; V261-L263 HydrophobicContact CG1-CD2 4.47Å
262F98.8Very high94.5Very high9 Ų932.8 Ų32.84%0.03919%0.189CC..EExtended strand (participates in β ladder)trans-73.9129.8176.8-175-118.6000111.2L210 R211 K212 G213 S214 R238 Y239 G264L210-F262 HydrophobicContact CB-CD1 3.58Å; L210-F262 HydrophobicContact CB-CE1 3.83Å; L210-F262 HydrophobicContact CB-CG 4.08Å; L210-F262 HydrophobicContact CB-CZ 4.49Å; L210-F262 HydrophobicContact CD1-CD2 4.46Å; L210-F262 HydrophobicContact CD1-CG 4.39Å; R211-F262 WeakPolarHBondContact O-CD1 3.47Å; K212-F262 WeakPolarHBondContact CA-O 3.43Å; G213-F262 PolarHBondContact N-O 2.95Å; S214-F262 PolarHBondContact O-N 2.94Å; R238-F262 HydrophobicContact CB-CD2 4.26Å; R238-F262 HydrophobicContact CB-CE2 3.9Å; R238-F262 VanDerWaalsContact NH2-CZ 3.3Å; R238-F262 CarbonylContact O-C 3.57Å; R238-F262 WeakPolarHBondContact O-CA 3.27Å; R238-F262 WeakPolarHBondContact O-CD2 3.37Å; Y239-F262 HydrophobicContact CD1-CB 4.2Å; Y239-F262 HydrophobicContact CD1-CD2 4.17Å; Y239-F262 HydrophobicContact CD2-CD2 4.44Å; Y239-F262 HydrophobicContact CE1-CB 3.8Å; Y239-F262 AromaticContact CE1-CD2 3.57Å; Y239-F262 HydrophobicContact CE1-CD2 3.57Å; Y239-F262 HydrophobicContact CE1-CG 4.12Å; Y239-F262 AromaticContact CE2-CD2 3.87Å; Y239-F262 HydrophobicContact CE2-CD2 3.87Å; Y239-F262 HydrophobicContact CE2-CE2 4.24Å; Y239-F262 AromaticContact CZ-CD2 3.4Å; Y239-F262 VanDerWaalsContact CZ-CD2 3.4Å; F262-G264 WeakPolarHBondContact CZ-OXT 3.06Å
263L98.4Very high95.4Very high70 Ų7025.4 Ų25.437%0.36616%0.16SC..  trans-105-13.9-172.1-57.7-177.8000113.6K212 R238 K240 V261K212-L263 WeakPolarHBondContact CD-O 3.43Å; R238-L263 PolarHBondContact O-N 3.46Å; K240-L263 HydrophobicContact CB-CD1 4.18Å; K240-L263 HydrophobicContact CB-CD2 4.33Å; V261-L263 HydrophobicContact CG1-CD2 4.47Å
264G93.6Very high96.5Very high68 Ų6825.7 Ų25.770%0.70116%0.163SC*.  trans108.10-171.900000111.7R238 F262R238-G264 PolarHBondContact NE-OXT 2.94Å; R238-G264 PolarHBondContact NH2-OXT 3.3Å; F262-G264 WeakPolarHBondContact CZ-OXT 3.06Å

Retrieved 264 of 264 residues in 207.6 ms (Link to these results)

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