A0A3Q0KSU2_SCHMA Loading...

Lipid phosphate phosphatase-related

AlphaFold DB , UniProt , Accession A0A3Q0KSU2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 308 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
1M60.9Low82.9Confident185 Ų185107.1 Ų107.191%0.91155%0.551SS**  0-53.50-130.1163.15900113L4 I5M1-L4 PolarHBondContact O-N 3.08Å; M1-I5 HydrophobicContact CG-CD1 4.32Å; M1-I5 WeakPolarHBondContact O-CG1 3.36Å; M1-I5 PolarHBondContact O-N 3.25Å
2R79.8Confident83.8Confident223 Ų223101.9 Ų101.984%0.84254%0.544SS*.Hα-helixtrans-50.9-47.3178.5-67.2-173.8179.7-169.6-0116.3L4 I5 A6R2-L4 PolarHBondContact O-N 3.39Å; R2-I5 PolarHBondContact O-N 2.74Å; R2-A6 PolarHBondContact O-N 3.35Å
3P77Confident84.5Confident78 Ų7898.2 Ų98.251%0.50653%0.531SS..Hα-helixtrans-69.2-33.7-177.425.4-34.2000113.2A6 G7P3-A6 PolarHBondContact O-N 3.18Å; P3-G7 PolarHBondContact O-N 3.11Å
4L79.7Confident85.2Confident112 Ų11293.1 Ų93.159%0.58650%0.504SS*.Hα-helixtrans-68.9-42.4177.9-175.9141.7000111.3M1 R2 G7 I8M1-L4 PolarHBondContact O-N 3.08Å; R2-L4 PolarHBondContact O-N 3.39Å; L4-G7 PolarHBondContact O-N 2.86Å; L4-I8 HydrophobicContact CD2-CD1 3.57Å; L4-I8 HydrophobicContact CD2-CG1 4.45Å; L4-I8 HydrophobicContact CG-CD1 4.41Å; L4-I8 WeakPolarHBondContact O-CG1 3.45Å; L4-I8 PolarHBondContact O-N 2.91Å
5I85.9Confident85.8Confident81 Ų8193.4 Ų93.442%0.41550%0.504SS..Hα-helixtrans-61.7-45.4174.9-64.7167.1000110.4M1 R2 G7 I8 I9M1-I5 HydrophobicContact CG-CD1 4.32Å; M1-I5 WeakPolarHBondContact O-CG1 3.36Å; M1-I5 PolarHBondContact O-N 3.25Å; R2-I5 PolarHBondContact O-N 2.74Å; I5-G7 VanDerWaalsContact C-N 3.32Å; I5-G7 PolarHBondContact O-N 3.28Å; I5-I8 PolarHBondContact O-N 3.09Å; I5-I9 HydrophobicContact CG2-CD1 3.78Å; I5-I9 HydrophobicContact CG2-CG1 4.41Å; I5-I9 VanDerWaalsContact O-CG1 3.31Å; I5-I9 WeakPolarHBondContact O-CG1 3.28Å; I5-I9 PolarHBondContact O-N 2.82Å
6A82.8Confident86.5Confident57 Ų5790.1 Ų90.147%0.47150%0.498SS..Hα-helixtrans-60.7-40.9176.500000112.3R2 P3 I9 R10R2-A6 PolarHBondContact O-N 3.35Å; P3-A6 PolarHBondContact O-N 3.18Å; A6-I9 PolarHBondContact O-N 3.35Å; A6-R10 WeakPolarHBondContact O-CB 3.46Å; A6-R10 PolarHBondContact O-N 2.04Å
7G84.8Confident86.9Confident35 Ų3592.3 Ų92.336%0.36150%0.502SS..Hα-helixtrans-61.2-44.6174.300000113P3 L4 I5 R10 V11P3-G7 PolarHBondContact O-N 3.11Å; L4-G7 PolarHBondContact O-N 2.86Å; I5-G7 VanDerWaalsContact C-N 3.32Å; I5-G7 PolarHBondContact O-N 3.28Å; G7-R10 PolarHBondContact O-N 2.85Å; G7-V11 WeakPolarHBondContact O-CG2 3.44Å; G7-V11 PolarHBondContact O-N 3.07Å
8I88.5Confident87.4Confident109 Ų10988.2 Ų88.256%0.55948%0.479SS*.Hα-helixtrans-63.6-44.4176.8-67.9170.2000111L4 I5 R10 V11 G12L4-I8 HydrophobicContact CD2-CD1 3.57Å; L4-I8 HydrophobicContact CD2-CG1 4.45Å; L4-I8 HydrophobicContact CG-CD1 4.41Å; L4-I8 WeakPolarHBondContact O-CG1 3.45Å; L4-I8 PolarHBondContact O-N 2.91Å; I5-I8 PolarHBondContact O-N 3.09Å; I8-R10 VanDerWaalsContact C-N 3.32Å; I8-R10 PolarHBondContact O-N 2.89Å; I8-V11 PolarHBondContact O-N 2.94Å; I8-G12 PolarHBondContact O-N 2.86Å
9I90.5Very high87.9Confident114 Ų11485.8 Ų85.859%0.58547%0.473SS*.Hα-helixtrans-60.8-43.9177.7-68.6168.2000110.4I5 A6 G12 S13I5-I9 HydrophobicContact CG2-CD1 3.78Å; I5-I9 HydrophobicContact CG2-CG1 4.41Å; I5-I9 VanDerWaalsContact O-CG1 3.31Å; I5-I9 WeakPolarHBondContact O-CG1 3.28Å; I5-I9 PolarHBondContact O-N 2.82Å; A6-I9 PolarHBondContact O-N 3.35Å; I9-G12 PolarHBondContact O-N 3.43Å; I9-S13 VanDerWaalsContact O-CB 3.28Å; I9-S13 WeakPolarHBondContact O-CB 3.06Å; I9-S13 PolarHBondContact O-N 3.46Å
10R89.6Confident88.3Confident126 Ų12684.1 Ų84.148%0.47547%0.47SS..Hα-helixtrans-60.1-53.6177.4-179.6179.8175.3-160.5-5111.5A6 G7 I8 G12 S13 D14 D99A6-R10 WeakPolarHBondContact O-CB 3.46Å; A6-R10 PolarHBondContact O-N 2.04Å; G7-R10 PolarHBondContact O-N 2.85Å; I8-R10 VanDerWaalsContact C-N 3.32Å; I8-R10 PolarHBondContact O-N 2.89Å; R10-G12 VanDerWaalsContact C-N 3.33Å; R10-G12 PolarHBondContact O-N 3.25Å; R10-S13 WeakPolarHBondContact O-CB 3.35Å; R10-S13 PolarHBondContact O-N 3.21Å; R10-D14 PolarHBondContact O-N 2.84Å; R10-D99 IonicContact CZ-OD1 2.7Å; R10-D99 IonicContact NH1-OD1 3.42Å; R10-D99 VanDerWaalsContact NH2-CG 3.3Å; R10-D99 IonicContact NH2-OD1 3.56Å; R10-D99 PolarHBondContact NH2-OD1 3.44Å; R10-D99 IonicContact NH2-OD2 3.38Å
11V91.9Very high88.7Confident58 Ų5882.5 Ų82.535%0.35246%0.46SS..Hα-helixtrans-61.8-42.2-180175.20000111.2G7 I8 S13 D14 L15 Y98G7-V11 WeakPolarHBondContact O-CG2 3.44Å; G7-V11 PolarHBondContact O-N 3.07Å; I8-V11 PolarHBondContact O-N 2.94Å; V11-S13 VanDerWaalsContact C-N 3.34Å; V11-S13 PolarHBondContact O-N 3.5Å; V11-D14 PolarHBondContact O-N 3.48Å; V11-L15 HydrophobicContact CG1-CD1 3.95Å; V11-L15 HydrophobicContact CG1-CG 4.32Å; V11-L15 WeakPolarHBondContact O-CB 3.39Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.33Å; V11-L15 PolarHBondContact O-N 3.39Å; V11-Y98 WeakPolarHBondContact CA-OH 3.12Å; V11-Y98 HydrophobicContact CG1-CE2 4.46Å; V11-Y98 HydrophobicContact CG2-CE1 4.35Å; V11-Y98 HydrophobicContact CG2-CE2 4.41Å
12G93.7Very high90.3Very high45 Ų4577 Ų7746%0.46443%0.434SS..Hα-helixtrans-61.4-41.217600000112.8I8 I9 R10 G16I8-G12 PolarHBondContact O-N 2.86Å; I9-G12 PolarHBondContact O-N 3.43Å; R10-G12 VanDerWaalsContact C-N 3.33Å; R10-G12 PolarHBondContact O-N 3.25Å; G12-G16 PolarHBondContact O-N 3.48Å
13S93.2Very high91.2Very high54 Ų5471.3 Ų71.338%0.37842%0.419SS..Hα-helixtrans-62.2-52174.5177.50000111.4I9 R10 V11 L15 G16 F17I9-S13 VanDerWaalsContact O-CB 3.28Å; I9-S13 WeakPolarHBondContact O-CB 3.06Å; I9-S13 PolarHBondContact O-N 3.46Å; R10-S13 WeakPolarHBondContact O-CB 3.35Å; R10-S13 PolarHBondContact O-N 3.21Å; V11-S13 VanDerWaalsContact C-N 3.34Å; V11-S13 PolarHBondContact O-N 3.5Å; S13-L15 PolarHBondContact O-N 3.15Å; S13-G16 PolarHBondContact O-N 2.97Å; S13-G16 VanDerWaalsContact O-N 3.15Å; S13-F17 WeakPolarHBondContact O-CD2 3.5Å; S13-F17 PolarHBondContact O-N 3.36Å; S13-F17 WeakPolarHBondContact OG-CE2 3.49Å
14D94.1Very high92.1Very high27 Ų2769.6 Ų69.614%0.14441%0.412CS..Hα-helixtrans-55.9-50.1-179.4-64.1-23.5000111.1R10 V11 G16 F17 I18 Y98 I102 F106R10-D14 PolarHBondContact O-N 2.84Å; V11-D14 PolarHBondContact O-N 3.48Å; D14-G16 VanDerWaalsContact C-N 3.35Å; D14-G16 PolarHBondContact O-N 2.86Å; D14-F17 PolarHBondContact O-N 2.95Å; D14-I18 WeakPolarHBondContact O-CG1 3.47Å; D14-I18 PolarHBondContact O-N 3.07Å; D14-Y98 WeakPolarHBondContact CB-OH 3.35Å; D14-Y98 PolarHBondContact OD2-OH 3.26Å; D14-I102 HydrophobicContact CB-CD1 4.23Å; D14-I102 HydrophobicContact CB-CG2 4.1Å; D14-F106 WeakPolarHBondContact O-CZ 3.26Å
15L94.7Very high92.9Very high97 Ų9764.8 Ų64.851%0.50839%0.387SS..Hα-helixtrans-65.4-37.4178.7-65.9179.7000112.3V11 S13 I18 A19V11-L15 HydrophobicContact CG1-CD1 3.95Å; V11-L15 HydrophobicContact CG1-CG 4.32Å; V11-L15 WeakPolarHBondContact O-CB 3.39Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.33Å; V11-L15 PolarHBondContact O-N 3.39Å; S13-L15 PolarHBondContact O-N 3.15Å; L15-I18 PolarHBondContact O-N 3.48Å; L15-A19 WeakPolarHBondContact O-CB 3.41Å; L15-A19 PolarHBondContact O-N 2.95Å
16G96.1Very high93.3Very high40 Ų4064.4 Ų64.441%0.41239%0.388SS..Hα-helixtrans-61.7-46176.700000112.6G12 S13 D14 A19 A20G12-G16 PolarHBondContact O-N 3.48Å; S13-G16 PolarHBondContact O-N 2.97Å; S13-G16 VanDerWaalsContact O-N 3.15Å; D14-G16 VanDerWaalsContact C-N 3.35Å; D14-G16 PolarHBondContact O-N 2.86Å; G16-A19 PolarHBondContact O-N 3.19Å; G16-A20 WeakPolarHBondContact O-CB 3.2Å; G16-A20 PolarHBondContact O-N 3.45Å
17F94.7Very high93.9Very high128 Ų12866.8 Ų66.856%0.56139%0.392SS*.Hα-helixtrans-69.6-36.6177.1-76.3-71.9000112.7S13 D14 A20 L21 F106S13-F17 WeakPolarHBondContact O-CD2 3.5Å; S13-F17 PolarHBondContact O-N 3.36Å; S13-F17 WeakPolarHBondContact OG-CE2 3.49Å; D14-F17 PolarHBondContact O-N 2.95Å; F17-A20 PolarHBondContact O-N 3.17Å; F17-L21 WeakPolarHBondContact O-CG 3.24Å; F17-L21 PolarHBondContact O-N 3.04Å; F17-F106 HydrophobicContact CB-CE1 3.54Å; F17-F106 HydrophobicContact CB-CZ 3.6Å
18I95.4Very high94.3Very high18 Ų1867.1 Ų67.19%0.09239%0.385CS..Hα-helixtrans-61.9-45.9172.6-71.8171.7000110.3D14 L15 A20 L21 I22 I102 C105 F106 F109D14-I18 WeakPolarHBondContact O-CG1 3.47Å; D14-I18 PolarHBondContact O-N 3.07Å; L15-I18 PolarHBondContact O-N 3.48Å; I18-A20 VanDerWaalsContact C-N 3.32Å; I18-A20 PolarHBondContact O-N 2.71Å; I18-L21 PolarHBondContact O-N 3.39Å; I18-I22 HydrophobicContact CG2-CD1 3.86Å; I18-I22 HydrophobicContact CG2-CG1 4.48Å; I18-I22 WeakPolarHBondContact O-CG1 3.13Å; I18-I22 PolarHBondContact O-N 3.2Å; I18-I102 HydrophobicContact CD1-CD1 3.66Å; I18-C105 HydrophobicContact CD1-CB 3.92Å; I18-F106 HydrophobicContact CD1-CE2 4.27Å; I18-F106 HydrophobicContact CD1-CZ 4.42Å; I18-F106 HydrophobicContact CG1-CD1 4.25Å; I18-F106 HydrophobicContact CG1-CD2 4.39Å; I18-F106 HydrophobicContact CG1-CE1 3.85Å; I18-F106 HydrophobicContact CG1-CE2 4.05Å; I18-F106 HydrophobicContact CG1-CG 4.48Å; I18-F106 HydrophobicContact CG1-CZ 3.75Å; I18-F109 HydrophobicContact CG2-CD2 4.06Å; I18-F109 HydrophobicContact CG2-CE2 3.87Å
19A96.6Very high94.5Very high43 Ų4366 Ų6636%0.35538%0.378SS..Hα-helixtrans-60.1-42.8176.400000111.6L15 G16 L21 I22 I23L15-A19 WeakPolarHBondContact O-CB 3.41Å; L15-A19 PolarHBondContact O-N 2.95Å; G16-A19 PolarHBondContact O-N 3.19Å; A19-L21 PolarHBondContact O-N 2.94Å; A19-I22 PolarHBondContact O-N 3.05Å; A19-I23 VanDerWaalsContact O-CG1 3.27Å; A19-I23 WeakPolarHBondContact O-CG1 3.08Å; A19-I23 PolarHBondContact O-N 2.8Å
20A96.2Very high94.6Very high52 Ų5266.8 Ų66.843%0.4338%0.383SS..Hα-helixtrans-60.1-42.4175.400000112.4G16 F17 I18 I23 A24G16-A20 WeakPolarHBondContact O-CB 3.2Å; G16-A20 PolarHBondContact O-N 3.45Å; F17-A20 PolarHBondContact O-N 3.17Å; I18-A20 VanDerWaalsContact C-N 3.32Å; I18-A20 PolarHBondContact O-N 2.71Å; A20-I23 PolarHBondContact O-N 3.14Å; A20-A24 WeakPolarHBondContact O-CB 3.34Å; A20-A24 PolarHBondContact O-N 2.58Å
21L95.6Very high94.8Very high50 Ų5063.7 Ų63.726%0.26238%0.378SS..Hα-helixtrans-64.4-41.4175.1-74.2174.1000112.3F17 I18 A19 I23 A24 N25 F106 F109F17-L21 WeakPolarHBondContact O-CG 3.24Å; F17-L21 PolarHBondContact O-N 3.04Å; I18-L21 PolarHBondContact O-N 3.39Å; A19-L21 PolarHBondContact O-N 2.94Å; L21-I23 VanDerWaalsContact C-N 3.34Å; L21-A24 PolarHBondContact O-N 2.94Å; L21-N25 WeakPolarHBondContact O-CB 3.43Å; L21-N25 PolarHBondContact O-N 3.13Å; L21-N25 PolarHBondContact O-ND2 3.1Å; L21-F106 HydrophobicContact CD1-CD1 3.61Å; L21-F106 HydrophobicContact CD1-CE1 4.01Å; L21-F109 HydrophobicContact CB-CB 3.99Å; L21-F109 HydrophobicContact CD1-CB 4.19Å
22I96.2Very high94.8Very high70 Ų7064.2 Ų64.236%0.35938%0.384SS..Hα-helixtrans-61.8-44.6176.4-68.3166.9000110.7I18 A19 N25 T26 F109I18-I22 HydrophobicContact CG2-CD1 3.86Å; I18-I22 HydrophobicContact CG2-CG1 4.48Å; I18-I22 WeakPolarHBondContact O-CG1 3.13Å; I18-I22 PolarHBondContact O-N 3.2Å; A19-I22 PolarHBondContact O-N 3.05Å; I22-N25 PolarHBondContact O-N 2.99Å; I22-T26 WeakPolarHBondContact O-CB 3.49Å; I22-T26 PolarHBondContact O-N 3.14Å; I22-T26 PolarHBondContact O-OG1 3.46Å; I22-F109 HydrophobicContact CD1-CE1 4.12Å; I22-F109 HydrophobicContact CD1-CE2 4.07Å; I22-F109 HydrophobicContact CD1-CZ 3.75Å; I22-F109 HydrophobicContact CG1-CD1 3.86Å; I22-F109 HydrophobicContact CG1-CD2 4.35Å; I22-F109 HydrophobicContact CG1-CE1 3.58Å; I22-F109 HydrophobicContact CG1-CE2 4.11Å; I22-F109 HydrophobicContact CG1-CG 4.26Å; I22-F109 HydrophobicContact CG1-CZ 3.72Å
23I97.3Very high94.8Very high103 Ų10362.3 Ų62.353%0.52836%0.364SS..Hα-helixtrans-62.7-49177.1-67.4164.5000110.1A19 A20 L21 N25 T26 I27A19-I23 VanDerWaalsContact O-CG1 3.27Å; A19-I23 WeakPolarHBondContact O-CG1 3.08Å; A19-I23 PolarHBondContact O-N 2.8Å; A20-I23 PolarHBondContact O-N 3.14Å; L21-I23 VanDerWaalsContact C-N 3.34Å; I23-N25 VanDerWaalsContact C-N 3.32Å; I23-N25 PolarHBondContact O-N 3.45Å; I23-T26 WeakPolarHBondContact O-CB 3.33Å; I23-T26 PolarHBondContact O-N 2.93Å; I23-T26 VanDerWaalsContact O-N 3.14Å; I23-I27 HydrophobicContact CG2-CD1 3.89Å; I23-I27 WeakPolarHBondContact O-CG1 3.33Å; I23-I27 PolarHBondContact O-N 2.81Å
24A96.2Very high94.8Very high43 Ų4366.9 Ų66.936%0.35537%0.374SS..Hα-helixtrans-57.6-44.1178.200000111.9A20 L21 T26 I27 L28A20-A24 WeakPolarHBondContact O-CB 3.34Å; A20-A24 PolarHBondContact O-N 2.58Å; L21-A24 PolarHBondContact O-N 2.94Å; A24-T26 PolarHBondContact O-N 3.13Å; A24-I27 PolarHBondContact O-N 2.65Å; A24-L28 WeakPolarHBondContact O-CB 3.46Å; A24-L28 WeakPolarHBondContact O-CG 3.21Å; A24-L28 PolarHBondContact O-N 3.31Å
25N96.3Very high94.6Very high10 Ų1073 Ų735%0.05340%0.399CS..Hα-helixtrans-63.2-41.9176.7-70.3-17000112L21 I22 I23 I27 L28 Q29 F109 I112 G113L21-N25 WeakPolarHBondContact O-CB 3.43Å; L21-N25 PolarHBondContact O-N 3.13Å; L21-N25 PolarHBondContact O-ND2 3.1Å; I22-N25 PolarHBondContact O-N 2.99Å; I23-N25 VanDerWaalsContact C-N 3.32Å; I23-N25 PolarHBondContact O-N 3.45Å; N25-I27 VanDerWaalsContact C-N 3.31Å; N25-I27 PolarHBondContact O-N 3.42Å; N25-L28 PolarHBondContact O-N 3.09Å; N25-Q29 VanDerWaalsContact O-CG 3.31Å; N25-Q29 WeakPolarHBondContact O-CG 3.41Å; N25-Q29 PolarHBondContact O-N 3.31Å; N25-F109 PolarHBondContact ND2-O 3.4Å; N25-I112 HydrophobicContact CB-CG2 4.1Å; N25-G113 WeakPolarHBondContact OD1-CA 2.94Å; N25-G113 PolarHBondContact OD1-N 3.29Å
26T95.5Very high94.5Very high73 Ų7375 Ų7545%0.44840%0.4SS..Hα-helixtrans-62.6-40.4177.4-55.40000111.2I22 I23 A24 N30I22-T26 WeakPolarHBondContact O-CB 3.49Å; I22-T26 PolarHBondContact O-N 3.14Å; I22-T26 PolarHBondContact O-OG1 3.46Å; I23-T26 WeakPolarHBondContact O-CB 3.33Å; I23-T26 PolarHBondContact O-N 2.93Å; I23-T26 VanDerWaalsContact O-N 3.14Å; A24-T26 PolarHBondContact O-N 3.13Å; T26-N30 PolarHBondContact O-ND2 3.01Å
27I95.6Very high94.3Very high107 Ų10773.5 Ų73.555%0.54938%0.384SS..Hα-helixtrans-63.7-51.4174.8-65.6166.7000110I23 A24 N25 Q29 N30 V31I23-I27 HydrophobicContact CG2-CD1 3.89Å; I23-I27 WeakPolarHBondContact O-CG1 3.33Å; I23-I27 PolarHBondContact O-N 2.81Å; A24-I27 PolarHBondContact O-N 2.65Å; N25-I27 VanDerWaalsContact C-N 3.31Å; N25-I27 PolarHBondContact O-N 3.42Å; I27-Q29 VanDerWaalsContact C-N 3.27Å; I27-Q29 PolarHBondContact O-N 3.43Å; I27-N30 PolarHBondContact O-N 2.88Å; I27-V31 WeakPolarHBondContact O-CG2 3.06Å; I27-V31 PolarHBondContact O-N 2.85Å
28L93.4Very high94.3Very high43 Ų4367.9 Ų67.923%0.22536%0.36CS..Hα-helixtrans-57.7-36.2-179.2-75.1169.5000113.2A24 N25 N30 V31 D116 V117A24-L28 WeakPolarHBondContact O-CB 3.46Å; A24-L28 WeakPolarHBondContact O-CG 3.21Å; A24-L28 PolarHBondContact O-N 3.31Å; N25-L28 PolarHBondContact O-N 3.09Å; L28-N30 PolarHBondContact O-N 3.19Å; L28-V31 PolarHBondContact O-N 3.4Å; L28-D116 HydrophobicContact CB-CB 4.15Å; L28-V117 HydrophobicContact CD1-CG2 3.92Å; L28-V117 HydrophobicContact CD2-CG2 4.14Å
29Q91.6Very high94.3Very high86 Ų8672 Ų7240%0.40238%0.377SS..Hα-helixtrans-64.4-30.5178.8-76.5178.1-000113.2N25 I27 D116 K161N25-Q29 VanDerWaalsContact O-CG 3.31Å; N25-Q29 WeakPolarHBondContact O-CG 3.41Å; N25-Q29 PolarHBondContact O-N 3.31Å; I27-Q29 VanDerWaalsContact C-N 3.27Å; I27-Q29 PolarHBondContact O-N 3.43Å; Q29-D116 WeakPolarHBondContact CG-OD2 3.2Å; Q29-D116 PolarHBondContact NE2-OD2 3.3Å; Q29-D116 VanDerWaalsContact NE2-OD2 3.16Å; Q29-K161 PolarHBondContact O-NZ 3.2Å
30N92.1Very high94Very high130 Ų13073 Ų7370%0.69538%0.376SS*.Hα-helixtrans-86.4-12.7178.3-67.3-44.6000113.4T26 I27 L28 S32T26-N30 PolarHBondContact O-ND2 3.01Å; I27-N30 PolarHBondContact O-N 2.88Å; L28-N30 PolarHBondContact O-N 3.19Å; N30-S32 PolarHBondContact O-N 3.2Å
31V93.3Very high93.8Very high60 Ų6076.6 Ų76.636%0.36438%0.384SS..SBendtrans-66.1133175-176.80000110I27 L28 V120 K161I27-V31 WeakPolarHBondContact O-CG2 3.06Å; I27-V31 PolarHBondContact O-N 2.85Å; L28-V31 PolarHBondContact O-N 3.4Å; V31-V120 HydrophobicContact CB-CG1 4.22Å; V31-V120 HydrophobicContact CB-CG2 4.06Å; V31-V120 HydrophobicContact CG1-CG1 3.54Å; V31-V120 HydrophobicContact CG1-CG2 4.28Å; V31-K161 WeakPolarHBondContact O-CE 3.2Å; V31-K161 PolarHBondContact O-NZ 3.36Å
32S92.2Very high93.7Very high69 Ų6976.7 Ų76.748%0.48338%0.384SS..PPolyproline II helixtrans-70.4130.1174.9-700000109.8N30 N157N30-S32 PolarHBondContact O-N 3.2Å; S32-N157 PolarHBondContact OG-ND2 2.86Å
33P94Very high93.7Very high5 Ų580.6 Ų80.63%0.03240%0.401CS..PPolyproline II helixtrans-71.2159.7-179.631.3-34.4000111.5K35 R160 K161P33-K35 PolarHBondContact O-N 3.39Å; P33-R160 HydrophobicContact CB-CB 4.35Å; P33-R160 HydrophobicContact CG-CB 3.58Å; P33-K161 HydrophobicContact CB-CG 4.1Å; P33-K161 HydrophobicContact CG-CG 4.02Å
34Y93Very high93.7Very high151 Ų15177.9 Ų77.959%0.59239%0.392SS*.PPolyproline II helixtrans-50.9129.1171.5179.3-103.6000111.4R36 V120 G123Y34-R36 HydrophobicContact CD1-CB 4.35Å; Y34-R36 HydrophobicContact CE1-CB 4.36Å; Y34-R36 PolarHBondContact O-N 3.07Å; Y34-V120 PolarHBondContact N-O 3.49Å; Y34-G123 WeakPolarHBondContact O-CA 3.35Å
35K91.5Very high93.6Very high156 Ų15676 Ų7668%0.67838%0.375SS*.  trans-84.896.6-178.4-69.6-176.2-178.4178.80109.8P33P33-K35 PolarHBondContact O-N 3.39Å
36R91.1Very high93.6Very high137 Ų13780.3 Ų80.352%0.51739%0.394SS..  trans-86.2139.9173.2-159.9-172.3168.2161.1-3.3111.5Y34 R160Y34-R36 HydrophobicContact CD1-CB 4.35Å; Y34-R36 HydrophobicContact CE1-CB 4.36Å; Y34-R36 PolarHBondContact O-N 3.07Å; R36-R160 PolarHBondContact O-NH1 2.97Å
37G92.4Very high93.7Very high9 Ų981.1 Ų81.19%0.09339%0.391CS..  trans-79.1176.1164.100000112.9V146G37-V146 CarbonylContact C-O 3.48Å; G37-V146 WeakPolarHBondContact CA-O 3.34Å
38Y94.4Very high93.7Very high11 Ų1179.5 Ų79.54%0.04339%0.387CS..EExtended strand (participates in β ladder)trans-150.3163.7-179.864.2-87.4000111.5I45 L125 F129 L130 P135 L138 V146 F149Y38-I45 HydrophobicContact CD1-CD1 4.43Å; Y38-I45 HydrophobicContact CD2-CD1 3.63Å; Y38-I45 HydrophobicContact CE2-CD1 4.4Å; Y38-I45 HydrophobicContact CG-CD1 3.67Å; Y38-L125 HydrophobicContact CD1-CD1 3.98Å; Y38-L125 HydrophobicContact CG-CD1 4.2Å; Y38-F129 HydrophobicContact CD1-CE1 4.26Å; Y38-F129 HydrophobicContact CE1-CE1 4.06Å; Y38-L130 HydrophobicContact CD2-CD2 4.41Å; Y38-L130 HydrophobicContact CE1-CD2 4.29Å; Y38-L130 HydrophobicContact CE2-CD2 3.74Å; Y38-P135 VanDerWaalsContact OH-CG 3.24Å; Y38-P135 WeakPolarHBondContact OH-CG 3.34Å; Y38-L138 WeakPolarHBondContact OH-CD2 3.4Å; Y38-V146 HydrophobicContact CE1-CB 4.32Å; Y38-V146 HydrophobicContact CE1-CG1 4.34Å; Y38-V146 HydrophobicContact CE2-CB 4.45Å; Y38-V146 HydrophobicContact CE2-CG2 4.28Å; Y38-V146 PolarHBondContact N-O 3.43Å; Y38-V146 PolarHBondContact O-N 3.26Å; Y38-F149 HydrophobicContact CD1-CD1 4.43Å; Y38-F149 AromaticContact CD1-CE1 3.73Å; Y38-F149 HydrophobicContact CD1-CE1 3.73Å; Y38-F149 AromaticContact CD1-CZ 3.88Å; Y38-F149 HydrophobicContact CD1-CZ 3.88Å; Y38-F149 AromaticContact CE1-CD1 3.82Å; Y38-F149 HydrophobicContact CE1-CD1 3.82Å; Y38-F149 HydrophobicContact CE1-CD2 4.37Å; Y38-F149 AromaticContact CE1-CE1 3.45Å; Y38-F149 HydrophobicContact CE1-CE1 3.45Å; Y38-F149 VanDerWaalsContact CE1-CE1 3.45Å; Y38-F149 HydrophobicContact CE1-CE2 4.04Å; Y38-F149 HydrophobicContact CE1-CG 4.23Å; Y38-F149 AromaticContact CE1-CZ 3.53Å; Y38-F149 HydrophobicContact CE1-CZ 3.53Å
39F95.1Very high93.7Very high103 Ų10382.8 Ų82.845%0.45240%0.4SS..EExtended strand (participates in β ladder)trans-90.6139.7172.7-68.7-84.6000110.5Q41 D42 G144 F145F39-Q41 PolarHBondContact O-N 3.33Å; F39-Q41 VanDerWaalsContact O-N 3.15Å; F39-D42 WeakPolarHBondContact O-CB 3.27Å; F39-D42 PolarHBondContact O-N 3.1Å; F39-G144 WeakPolarHBondContact CA-O 3.17Å; F39-F145 HydrophobicContact CD1-CB 3.95Å; F39-F145 HydrophobicContact CD1-CD2 4.2Å; F39-F145 HydrophobicContact CD2-CD2 4.17Å; F39-F145 HydrophobicContact CE1-CB 3.7Å; F39-F145 AromaticContact CE1-CD2 3.97Å; F39-F145 HydrophobicContact CE1-CD2 3.97Å; F39-F145 HydrophobicContact CE1-CG 4.3Å; F39-F145 AromaticContact CE2-CD2 3.92Å; F39-F145 HydrophobicContact CE2-CD2 3.92Å; F39-F145 HydrophobicContact CG-CD2 4.3Å; F39-F145 HydrophobicContact CZ-CB 4.32Å; F39-F145 AromaticContact CZ-CD2 3.82Å; F39-F145 HydrophobicContact CZ-CD2 3.82Å; F39-F145 HydrophobicContact CZ-CG 4.47Å
40I91.1Very high93.8Very high66 Ų6684.2 Ų84.234%0.33840%0.402SS..THydrogen-bonded Turntrans-56.4-35.2-178.3-62.9166.1000112.1D42 K46 T140 G144 V146I40-D42 VanDerWaalsContact C-N 3.25Å; I40-D42 PolarHBondContact O-N 3.13Å; I40-K46 WeakPolarHBondContact O-CE 3.48Å; I40-K46 PolarHBondContact O-NZ 2.82Å; I40-T140 HydrophobicContact CD1-CG2 3.28Å; I40-T140 HydrophobicContact CG1-CG2 4.04Å; I40-G144 WeakPolarHBondContact CG1-O 3.5Å; I40-G144 PolarHBondContact N-O 3.14Å; I40-G144 VanDerWaalsContact N-O 3.07Å; I40-V146 HydrophobicContact CD1-CG2 4.48Å; I40-V146 HydrophobicContact CG1-CG2 3.8Å
41Q91.7Very high94Very high126 Ų12683.1 Ų83.159%0.58940%0.402SS*.THydrogen-bonded Turntrans-79-4.2-179.2-62.278.77.500113.3F39 E43 K46F39-Q41 PolarHBondContact O-N 3.33Å; F39-Q41 VanDerWaalsContact O-N 3.15Å; Q41-E43 PolarHBondContact O-N 3.04Å; Q41-K46 PolarHBondContact O-NZ 2.89Å
42D94.6Very high94Very high52 Ų5283.9 Ų83.928%0.27840%0.404SS..  trans-64.8102.7-177.1-171.2-9.9000111.9F39 I40 S44 I45 K46F39-D42 WeakPolarHBondContact O-CB 3.27Å; F39-D42 PolarHBondContact O-N 3.1Å; I40-D42 VanDerWaalsContact C-N 3.25Å; I40-D42 PolarHBondContact O-N 3.13Å; D42-S44 VanDerWaalsContact C-N 3.29Å; D42-S44 VanDerWaalsContact OD1-CB 3.24Å; D42-S44 WeakPolarHBondContact OD1-CB 3.46Å; D42-S44 PolarHBondContact OD1-N 2.55Å; D42-S44 PolarHBondContact OD1-OG 3.23Å; D42-S44 PolarHBondContact OD2-OG 3.17Å; D42-I45 HydrophobicContact CB-CD1 4.22Å; D42-I45 HydrophobicContact CB-CG1 4.05Å; D42-I45 WeakPolarHBondContact O-CG1 3.16Å; D42-K46 WeakPolarHBondContact O-CE 3.15Å; D42-K46 WeakPolarHBondContact O-CG 3.24Å
43E95.1Very high94.2Very high153 Ų15385.5 Ų85.572%0.71541%0.411SS*.G310 helixtrans-75.3-19.3178.9-59.8-171.3164.200113.2Q41 I45 K46Q41-E43 PolarHBondContact O-N 3.04Å; E43-I45 PolarHBondContact O-N 2.99Å; E43-I45 VanDerWaalsContact O-N 3.13Å; E43-K46 HydrophobicContact CG-CD 4.5Å; E43-K46 PolarHBondContact O-N 2.83Å
44S96.6Very high94.4Very high46 Ų4686.6 Ų86.632%0.32242%0.416SS..G310 helixtrans-63.5-25.1-177.174.70000112D42 P127 H221D42-S44 VanDerWaalsContact C-N 3.29Å; D42-S44 VanDerWaalsContact OD1-CB 3.24Å; D42-S44 WeakPolarHBondContact OD1-CB 3.46Å; D42-S44 PolarHBondContact OD1-N 2.55Å; D42-S44 PolarHBondContact OD1-OG 3.23Å; D42-S44 PolarHBondContact OD2-OG 3.17Å; S44-P127 WeakPolarHBondContact O-CA 3.12Å; S44-H221 PolarHBondContact O-NE2 3.26Å
45I95.8Very high94.5Very high3 Ų381.3 Ų81.32%0.01540%0.401CS..G310 helixtrans-1089.4-177.662.6167.9000114.5Y38 D42 E43 L125 P127 F129 L130Y38-I45 HydrophobicContact CD1-CD1 4.43Å; Y38-I45 HydrophobicContact CD2-CD1 3.63Å; Y38-I45 HydrophobicContact CE2-CD1 4.4Å; Y38-I45 HydrophobicContact CG-CD1 3.67Å; D42-I45 HydrophobicContact CB-CD1 4.22Å; D42-I45 HydrophobicContact CB-CG1 4.05Å; D42-I45 WeakPolarHBondContact O-CG1 3.16Å; E43-I45 PolarHBondContact O-N 2.99Å; E43-I45 VanDerWaalsContact O-N 3.13Å; I45-L125 HydrophobicContact CD1-CD1 4.13Å; I45-L125 HydrophobicContact CG2-CB 3.92Å; I45-P127 CarbonylContact C-O 3.5Å; I45-P127 VanDerWaalsContact CA-O 3.27Å; I45-P127 WeakPolarHBondContact CA-O 3.17Å; I45-F129 HydrophobicContact CB-CB 4.14Å; I45-F129 HydrophobicContact CD1-CD1 4.45Å; I45-F129 PolarHBondContact O-N 2.98Å; I45-L130 HydrophobicContact CD1-CD1 4.3Å; I45-L130 HydrophobicContact CD1-CD2 4.17Å; I45-L130 HydrophobicContact CD1-CG 4.08Å; I45-L130 HydrophobicContact CG1-CD1 4.19Å; I45-L130 HydrophobicContact CG1-CG 4.15Å; I45-L130 PolarHBondContact O-N 3.25Å
46K95.7Very high94.8Very high100 Ų10076 Ų7644%0.43538%0.384SS..  trans-973.2-177.7-78.6177.8-165.9174.30114.8I40 Q41 D42 E43 P127 L130I40-K46 WeakPolarHBondContact O-CE 3.48Å; I40-K46 PolarHBondContact O-NZ 2.82Å; Q41-K46 PolarHBondContact O-NZ 2.89Å; D42-K46 WeakPolarHBondContact O-CE 3.15Å; D42-K46 WeakPolarHBondContact O-CG 3.24Å; E43-K46 HydrophobicContact CG-CD 4.5Å; E43-K46 PolarHBondContact O-N 2.83Å; K46-P127 PolarHBondContact N-O 2.77Å; K46-L130 HydrophobicContact CG-CD1 3.6Å
47K96.5Very high95Very high90 Ų9074.3 Ų74.339%0.39139%0.389SS..PPolyproline II helixtrans-70.6149.9-176.1-57.5-166.7-176.9-175.50111.2P127 N128 N218K47-P127 HydrophobicContact CB-CB 4.32Å; K47-P127 WeakPolarHBondContact CB-O 3.17Å; K47-P127 HydrophobicContact CD-CB 3.92Å; K47-P127 HydrophobicContact CG-CB 4.2Å; K47-P127 PolarHBondContact N-O 3.19Å; K47-N128 WeakPolarHBondContact O-CA 3.46Å; K47-N128 WeakPolarHBondContact O-CB 3.29Å; K47-N218 HydrophobicContact CB-CB 4.1Å; K47-N218 HydrophobicContact CD-CB 4.42Å; K47-N218 VanDerWaalsContact CD-OD1 3.23Å; K47-N218 WeakPolarHBondContact CD-OD1 3.44Å
48P96.3Very high95.3Very high73 Ų7377.5 Ų77.547%0.47441%0.406SS..PPolyproline II helixtrans-69.3148.5176.928.4-35.1000111.7R50 N218P48-R50 PolarHBondContact O-N 2.86Å; P48-N218 PolarHBondContact O-ND2 3.13Å
49F93.8Very high95.5Very high112 Ų11277.4 Ų77.449%0.49141%0.406SS..PPolyproline II helixtrans-65.7129.7171-179.8-91.6000110.3D131 V132F49-D131 VanDerWaalsContact CB-OD2 3.28Å; F49-D131 WeakPolarHBondContact CB-OD2 3.18Å; F49-D131 PolarHBondContact N-OD2 3.49Å; F49-V132 HydrophobicContact CB-CG2 4.16Å; F49-V132 HydrophobicContact CD2-CG2 3.47Å; F49-V132 VanDerWaalsContact CD2-CG2 3.47Å; F49-V132 HydrophobicContact CE2-CG2 4.21Å; F49-V132 HydrophobicContact CG-CG2 4.15Å
50R94.3Very high95.6Very high117 Ų11776.7 Ų76.744%0.44240%0.401SS..  trans-118.8150.2173.2-66.9-179.1173.7-170.8-5.7110.4P48 I216 K219P48-R50 PolarHBondContact O-N 2.86Å; R50-I216 WeakPolarHBondContact CD-O 3.23Å; R50-I216 PolarHBondContact NH1-O 2.66Å; R50-I216 VanDerWaalsContact NH1-O 3.07Å; R50-K219 WeakPolarHBondContact O-CE 3.47Å; R50-K219 PolarHBondContact O-NZ 2.9Å
51P94.7Very high96Very high106 Ų10677.1 Ų77.169%0.68841%0.407SS*.  trans-61.9160.7169.428.1-34.2000110.8
52N94.4Very high96.3Very high77 Ų7774.6 Ų74.641%0.41240%0.4SS..  trans-78.2125.7177-64.1-51.1000109.8K219N52-K219 WeakPolarHBondContact OD1-CE 3.3Å
53T97Very high96.5Very high103 Ų10372.4 Ų72.463%0.63239%0.389SS*.SBendtrans-63.3-45.7167.5-62.70000110.3D217T53-D217 WeakPolarHBondContact CB-OD1 3.07Å; T53-D217 PolarHBondContact N-OD1 3.49Å; T53-D217 PolarHBondContact N-OD2 3.14Å; T53-D217 PolarHBondContact OG1-OD1 2.67Å
54I96.6Very high96.6Very high27 Ų2767.8 Ų67.814%0.13837%0.373CS..SBendtrans-114.3114.2174.2-58.5175.3000108.9V58 L59 V209 V210 R214I54-V58 HydrophobicContact CG2-CB 4.41Å; I54-V58 HydrophobicContact CG2-CG1 4.2Å; I54-L59 HydrophobicContact CG2-CB 4.39Å; I54-V209 HydrophobicContact CD1-CG1 4.45Å; I54-V210 HydrophobicContact CD1-CB 4.32Å; I54-V210 HydrophobicContact CD1-CG2 3.74Å; I54-R214 VanDerWaalsContact N-NH2 3.19Å; I54-R214 VanDerWaalsContact O-CZ 3.27Å; I54-R214 PolarHBondContact O-NH1 3.41Å; I54-R214 PolarHBondContact O-NH2 3.4Å
55S97.1Very high96.7Very high41 Ų4169.6 Ų69.629%0.28738%0.379SS..  trans-74.4159.3176.675.50000111.3T57 V58 L59S55-T57 VanDerWaalsContact C-N 3.26Å; S55-T57 PolarHBondContact O-N 3.17Å; S55-V58 PolarHBondContact O-N 3.14Å; S55-V58 VanDerWaalsContact OG-CG2 3.31Å; S55-V58 WeakPolarHBondContact OG-CG2 3.38Å; S55-V58 PolarHBondContact OG-N 3.42Å; S55-L59 PolarHBondContact O-N 3.41Å
56S95.9Very high96.8Very high45 Ų4571.7 Ų71.732%0.31539%0.39SS..Hα-helixtrans-61.8-36.5176.1-57.10000112L59 Y60 H167S56-L59 PolarHBondContact O-N 2.96Å; S56-Y60 WeakPolarHBondContact O-CD2 3.24Å; S56-Y60 VanDerWaalsContact O-CG 3.3Å; S56-Y60 PolarHBondContact O-N 3.43Å; S56-H167 PolarHBondContact OG-CE1 3.03Å; S56-H167 PolarHBondContact OG-NE2 3.04Å
57T97.1Very high97Very high101 Ų10167.4 Ų67.462%0.6237%0.372SS*.Hα-helixtrans-61.2-48.1174.5-480000111.6S55 L59 Y60 V61S55-T57 VanDerWaalsContact C-N 3.26Å; S55-T57 PolarHBondContact O-N 3.17Å; T57-L59 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 3.03Å; T57-Y60 PolarHBondContact O-N 3.43Å; T57-V61 HydrophobicContact CG2-CG2 4.31Å; T57-V61 WeakPolarHBondContact O-CB 3.29Å; T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 3.46Å; T57-V61 PolarHBondContact O-N 3.33Å
58V98Very high97Very high75 Ų7566.8 Ų66.846%0.45537%0.372SS..Hα-helixtrans-60.7-45.61781710000110.2I54 S55 V62I54-V58 HydrophobicContact CG2-CB 4.41Å; I54-V58 HydrophobicContact CG2-CG1 4.2Å; S55-V58 PolarHBondContact O-N 3.14Å; S55-V58 VanDerWaalsContact OG-CG2 3.31Å; S55-V58 WeakPolarHBondContact OG-CG2 3.38Å; S55-V58 PolarHBondContact OG-N 3.42Å; V58-V62 HydrophobicContact CG1-CG2 4.05Å; V58-V62 VanDerWaalsContact O-CB 3.25Å; V58-V62 WeakPolarHBondContact O-CB 3.47Å; V58-V62 WeakPolarHBondContact O-CG2 3.34Å; V58-V62 PolarHBondContact O-N 2.87Å
59L98.3Very high97.1Very high9 Ų968 Ų685%0.04737%0.374CS..Hα-helixtrans-54.7-57.6176174.168.6000111.1I54 S55 S56 T57 V61 V62 S63 H167 I170 A171 V210I54-L59 HydrophobicContact CG2-CB 4.39Å; S55-L59 PolarHBondContact O-N 3.41Å; S56-L59 PolarHBondContact O-N 2.96Å; T57-L59 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 3.03Å; L59-V61 PolarHBondContact O-N 2.81Å; L59-V62 PolarHBondContact O-N 3Å; L59-S63 WeakPolarHBondContact O-CB 3.4Å; L59-S63 PolarHBondContact O-N 3.32Å; L59-S63 PolarHBondContact O-OG 3.2Å; L59-H167 HydrophobicContact CD2-CB 3.91Å; L59-H167 VanDerWaalsContact CD2-CD2 3.41Å; L59-H167 WeakPolarHBondContact CD2-CD2 3.49Å; L59-I170 HydrophobicContact CD1-CG2 4.38Å; L59-I170 HydrophobicContact CD2-CB 4.24Å; L59-I170 HydrophobicContact CD2-CG2 4.32Å; L59-I170 HydrophobicContact CG-CG2 4.31Å; L59-A171 HydrophobicContact CD1-CB 4.12Å; L59-V210 HydrophobicContact CD1-CG1 4.26Å; L59-V210 HydrophobicContact CD1-CG2 4.4Å
60Y98Very high97.3Very high88 Ų8863.2 Ų63.235%0.34535%0.354SS..Hα-helixtrans-65.4-36.6-173.4-64.8-45.6000113.1S56 T57 S63 S64 Y108 I112S56-Y60 WeakPolarHBondContact O-CD2 3.24Å; S56-Y60 VanDerWaalsContact O-CG 3.3Å; S56-Y60 PolarHBondContact O-N 3.43Å; T57-Y60 PolarHBondContact O-N 3.43Å; Y60-S63 PolarHBondContact O-OG 3.07Å; Y60-S64 VanDerWaalsContact O-CB 3.25Å; Y60-S64 WeakPolarHBondContact O-CB 3.31Å; Y60-S64 PolarHBondContact O-N 3.25Å; Y60-S64 PolarHBondContact O-OG 3.16Å; Y60-Y108 HydrophobicContact CD1-CE1 4.46Å; Y60-Y108 WeakPolarHBondContact CD1-OH 3.02Å; Y60-I112 HydrophobicContact CE1-CD1 4.28Å
61V98.4Very high97.3Very high75 Ų7557.7 Ų57.746%0.45533%0.333SS..Hα-helixtrans-69.8-51.2176.9171.20000110.3T57 L59 S64 L65T57-V61 HydrophobicContact CG2-CG2 4.31Å; T57-V61 WeakPolarHBondContact O-CB 3.29Å; T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 3.46Å; T57-V61 PolarHBondContact O-N 3.33Å; L59-V61 PolarHBondContact O-N 2.81Å; V61-S64 PolarHBondContact O-N 2.98Å; V61-L65 HydrophobicContact CG1-CD1 3.75Å; V61-L65 HydrophobicContact CG1-CG 4.33Å; V61-L65 WeakPolarHBondContact O-CB 3.41Å; V61-L65 VanDerWaalsContact O-CG 3.26Å; V61-L65 WeakPolarHBondContact O-CG 3.45Å; V61-L65 PolarHBondContact O-N 2.81Å
62V98.2Very high97.4Very high73 Ų7355.1 Ų55.144%0.44232%0.315SS..Hα-helixtrans-65.8-44.9-175.6173.40000111.1V58 L59 S64 L65 L66V58-V62 HydrophobicContact CG1-CG2 4.05Å; V58-V62 VanDerWaalsContact O-CB 3.25Å; V58-V62 WeakPolarHBondContact O-CB 3.47Å; V58-V62 WeakPolarHBondContact O-CG2 3.34Å; V58-V62 PolarHBondContact O-N 2.87Å; L59-V62 PolarHBondContact O-N 3Å; V62-S64 PolarHBondContact O-N 2.93Å; V62-L65 PolarHBondContact O-N 3.24Å; V62-L66 HydrophobicContact CG1-CD1 3.91Å; V62-L66 HydrophobicContact CG1-CG 4.24Å; V62-L66 WeakPolarHBondContact O-CB 3.4Å; V62-L66 VanDerWaalsContact O-CG 3.24Å; V62-L66 WeakPolarHBondContact O-CG 3.5Å; V62-L66 PolarHBondContact O-N 3.25Å
63S98.4Very high97.4Very high6 Ų655 Ų554%0.04232%0.317CS..Hα-helixtrans-62-43.717858.30000112.1L59 Y60 L66 I67 Y108L59-S63 WeakPolarHBondContact O-CB 3.4Å; L59-S63 PolarHBondContact O-N 3.32Å; L59-S63 PolarHBondContact O-OG 3.2Å; Y60-S63 PolarHBondContact O-OG 3.07Å; S63-L66 PolarHBondContact O-N 3.31Å; S63-I67 WeakPolarHBondContact O-CG1 3.47Å; S63-I67 PolarHBondContact O-N 3.33Å; S63-Y108 PolarHBondContact OG-OH 3.08Å
64S98.2Very high97.2Very high56 Ų5650.1 Ų50.139%0.39229%0.287SS..Hα-helixtrans-66.2-42179.2-55.40000111.6Y60 V61 V62 I67 L68Y60-S64 VanDerWaalsContact O-CB 3.25Å; Y60-S64 WeakPolarHBondContact O-CB 3.31Å; Y60-S64 PolarHBondContact O-N 3.25Å; Y60-S64 PolarHBondContact O-OG 3.16Å; V61-S64 PolarHBondContact O-N 2.98Å; V62-S64 PolarHBondContact O-N 2.93Å; S64-I67 PolarHBondContact O-N 2.94Å; S64-L68 WeakPolarHBondContact O-CB 3.47Å; S64-L68 PolarHBondContact O-N 2.75Å
65L98.4Very high97Very high84 Ų8449 Ų4944%0.4428%0.281SS..Hα-helixtrans-66.1-39.6175.8-71.4177.8000111.9V61 V62 I67 L68 I69V61-L65 HydrophobicContact CG1-CD1 3.75Å; V61-L65 HydrophobicContact CG1-CG 4.33Å; V61-L65 WeakPolarHBondContact O-CB 3.41Å; V61-L65 VanDerWaalsContact O-CG 3.26Å; V61-L65 WeakPolarHBondContact O-CG 3.45Å; V61-L65 PolarHBondContact O-N 2.81Å; V62-L65 PolarHBondContact O-N 3.24Å; L65-I67 VanDerWaalsContact C-N 3.35Å; L65-I67 PolarHBondContact O-N 3.36Å; L65-L68 PolarHBondContact O-N 3.22Å; L65-I69 HydrophobicContact CB-CD1 4.42Å; L65-I69 VanDerWaalsContact O-CB 3.29Å; L65-I69 WeakPolarHBondContact O-CB 3.46Å; L65-I69 WeakPolarHBondContact O-CG1 3.2Å; L65-I69 PolarHBondContact O-N 3.02Å
66L98.2Very high96.8Very high47 Ų4749.8 Ų49.825%0.24628%0.284CS..Hα-helixtrans-61.7-42.8175.1-75.9174.6000111.7V62 S63 T70 L178 Y203 L206V62-L66 HydrophobicContact CG1-CD1 3.91Å; V62-L66 HydrophobicContact CG1-CG 4.24Å; V62-L66 WeakPolarHBondContact O-CB 3.4Å; V62-L66 VanDerWaalsContact O-CG 3.24Å; V62-L66 WeakPolarHBondContact O-CG 3.5Å; V62-L66 PolarHBondContact O-N 3.25Å; S63-L66 PolarHBondContact O-N 3.31Å; L66-T70 VanDerWaalsContact O-CB 3.22Å; L66-T70 WeakPolarHBondContact O-CB 3.29Å; L66-T70 PolarHBondContact O-N 3.43Å; L66-T70 PolarHBondContact O-OG1 2.94Å; L66-L178 HydrophobicContact CB-CD1 4.05Å; L66-Y203 HydrophobicContact CD2-CE1 4.24Å; L66-L206 HydrophobicContact CD1-CD1 4.03Å
67I98.3Very high96.5Very high11 Ų1151.8 Ų51.86%0.05629%0.291CS..Hα-helixtrans-59.8-53.6174.2-70.1169.8000110.2S63 S64 L65 T70 I71 L101 A104 Y108 T174 L178S63-I67 WeakPolarHBondContact O-CG1 3.47Å; S63-I67 PolarHBondContact O-N 3.33Å; S64-I67 PolarHBondContact O-N 2.94Å; L65-I67 VanDerWaalsContact C-N 3.35Å; L65-I67 PolarHBondContact O-N 3.36Å; I67-T70 PolarHBondContact O-N 3.42Å; I67-I71 HydrophobicContact CG2-CD1 3.78Å; I67-I71 WeakPolarHBondContact O-CB 3.31Å; I67-I71 WeakPolarHBondContact O-CG1 3.15Å; I67-I71 PolarHBondContact O-N 3.15Å; I67-L101 HydrophobicContact CG2-CD2 4.17Å; I67-A104 HydrophobicContact CG2-CB 3.71Å; I67-Y108 HydrophobicContact CD1-CD2 3.94Å; I67-Y108 HydrophobicContact CD1-CE2 4.3Å; I67-T174 HydrophobicContact CD1-CG2 4.08Å; I67-T174 HydrophobicContact CG1-CG2 3.85Å; I67-L178 HydrophobicContact CG1-CD2 4.42Å; I67-L178 HydrophobicContact CG1-CG 4.47Å
68L98.2Very high96Very high77 Ų7748.5 Ų48.540%0.40327%0.27SS..Hα-helixtrans-59.3-52.1-177.4179.363.6000112S64 L65 I71 V72 L101S64-L68 WeakPolarHBondContact O-CB 3.47Å; S64-L68 PolarHBondContact O-N 2.75Å; L65-L68 PolarHBondContact O-N 3.22Å; L68-I71 PolarHBondContact O-N 2.88Å; L68-V72 HydrophobicContact CD1-CG2 3.9Å; L68-V72 HydrophobicContact CG-CG2 4.46Å; L68-V72 WeakPolarHBondContact O-CB 3.36Å; L68-V72 VanDerWaalsContact O-CG2 3.23Å; L68-V72 WeakPolarHBondContact O-CG2 3.45Å; L68-V72 PolarHBondContact O-N 2.7Å; L68-L101 HydrophobicContact CD1-CD1 4.03Å; L68-L101 HydrophobicContact CD1-CD2 4.12Å
69I98Very high95.5Very high98 Ų9845.5 Ų45.550%0.50326%0.255SS..Hα-helixtrans-65-45.6-176.5-67.3167.9000110.2L65 I71 V72 V73L65-I69 HydrophobicContact CB-CD1 4.42Å; L65-I69 VanDerWaalsContact O-CB 3.29Å; L65-I69 WeakPolarHBondContact O-CB 3.46Å; L65-I69 WeakPolarHBondContact O-CG1 3.2Å; L65-I69 PolarHBondContact O-N 3.02Å; I69-I71 PolarHBondContact O-N 3.43Å; I69-V72 PolarHBondContact O-N 3.43Å; I69-V73 HydrophobicContact CG2-CG2 4Å; I69-V73 VanDerWaalsContact O-CB 3.23Å; I69-V73 WeakPolarHBondContact O-CB 3.48Å; I69-V73 VanDerWaalsContact O-CG2 3.24Å; I69-V73 WeakPolarHBondContact O-CG2 3.42Å; I69-V73 PolarHBondContact O-N 2.92Å
70T96.9Very high94.9Very high12 Ų1249.2 Ų49.27%0.07428%0.278CS..Hα-helixtrans-62.9-43.3-178.7-53.80000111.7L66 I67 G74 L178 Y181 I182 Y203L66-T70 VanDerWaalsContact O-CB 3.22Å; L66-T70 WeakPolarHBondContact O-CB 3.29Å; L66-T70 PolarHBondContact O-N 3.43Å; L66-T70 PolarHBondContact O-OG1 2.94Å; I67-T70 PolarHBondContact O-N 3.42Å; T70-G74 WeakPolarHBondContact O-CA 3.02Å; T70-G74 PolarHBondContact O-N 2.76Å; T70-L178 HydrophobicContact CG2-CD2 3.81Å; T70-Y181 HydrophobicContact CG2-CD1 4.16Å; T70-Y181 HydrophobicContact CG2-CE1 4.31Å; T70-I182 HydrophobicContact CG2-CD1 4.21Å; T70-I182 HydrophobicContact CG2-CG1 4.19Å; T70-Y203 HydrophobicContact CG2-CE2 4.28Å; T70-Y203 PolarHBondContact OG1-OH 3.35Å
71I95.9Very high94.3Very high0 Ų054.7 Ų54.70%030%0.303CS..Hα-helixtrans-67.1-50.4177.9-70.5168.7000110.2I67 L68 I69 V73 G74 E75 I97 L101 A104 F177 Y181I67-I71 HydrophobicContact CG2-CD1 3.78Å; I67-I71 WeakPolarHBondContact O-CB 3.31Å; I67-I71 WeakPolarHBondContact O-CG1 3.15Å; I67-I71 PolarHBondContact O-N 3.15Å; L68-I71 PolarHBondContact O-N 2.88Å; I69-I71 PolarHBondContact O-N 3.43Å; I71-V73 PolarHBondContact O-N 3.28Å; I71-G74 PolarHBondContact O-N 3.16Å; I71-E75 HydrophobicContact CG2-CG 4.23Å; I71-E75 WeakPolarHBondContact O-CB 3.38Å; I71-E75 VanDerWaalsContact O-CG 3.32Å; I71-E75 WeakPolarHBondContact O-CG 3.39Å; I71-E75 PolarHBondContact O-N 2.8Å; I71-I97 HydrophobicContact CG2-CG2 4.4Å; I71-L101 HydrophobicContact CB-CD2 4.42Å; I71-L101 HydrophobicContact CD1-CD2 3.71Å; I71-L101 HydrophobicContact CD1-CG 4.19Å; I71-L101 HydrophobicContact CG2-CD2 4.48Å; I71-L101 HydrophobicContact CG2-CG 4.25Å; I71-A104 HydrophobicContact CD1-CB 4.38Å; I71-F177 HydrophobicContact CD1-CE1 4.2Å; I71-Y181 HydrophobicContact CG1-CD2 4.27Å; I71-Y181 HydrophobicContact CG1-CE1 4.37Å; I71-Y181 HydrophobicContact CG1-CE2 4.07Å; I71-Y181 PolarHBondContact O-OH 2.93Å
72V95.9Very high93.6Very high52 Ų5253 Ų5332%0.31529%0.294SS..Hα-helixtrans-62.1-48.9-177.2171.10000110.9L68 I69 G74 E75 V76 I97L68-V72 HydrophobicContact CD1-CG2 3.9Å; L68-V72 HydrophobicContact CG-CG2 4.46Å; L68-V72 WeakPolarHBondContact O-CB 3.36Å; L68-V72 VanDerWaalsContact O-CG2 3.23Å; L68-V72 WeakPolarHBondContact O-CG2 3.45Å; L68-V72 PolarHBondContact O-N 2.7Å; I69-V72 PolarHBondContact O-N 3.43Å; V72-G74 VanDerWaalsContact C-N 3.33Å; V72-G74 PolarHBondContact O-N 3.28Å; V72-E75 PolarHBondContact O-N 3.45Å; V72-V76 HydrophobicContact CG1-CG2 4.44Å; V72-V76 WeakPolarHBondContact O-CB 3.26Å; V72-V76 WeakPolarHBondContact O-CG2 3.37Å; V72-V76 PolarHBondContact O-N 3.34Å; V72-I97 HydrophobicContact CG2-CG2 4.21Å
73V94.5Very high92.9Very high75 Ų7553.1 Ų53.146%0.45529%0.292SS..Hα-helixtrans-63-42.5177.6173.10000110.5I69 I71 V76 I77I69-V73 HydrophobicContact CG2-CG2 4Å; I69-V73 VanDerWaalsContact O-CB 3.23Å; I69-V73 WeakPolarHBondContact O-CB 3.48Å; I69-V73 VanDerWaalsContact O-CG2 3.24Å; I69-V73 WeakPolarHBondContact O-CG2 3.42Å; I69-V73 PolarHBondContact O-N 2.92Å; I71-V73 PolarHBondContact O-N 3.28Å; V73-V76 PolarHBondContact O-N 3.38Å; V73-I77 HydrophobicContact CG1-CD1 3.66Å; V73-I77 HydrophobicContact CG1-CG1 4.31Å; V73-I77 VanDerWaalsContact O-CG1 3.26Å; V73-I77 WeakPolarHBondContact O-CG1 3.38Å; V73-I77 PolarHBondContact O-N 3.43Å
74G93.1Very high92.4Very high0 Ų064.5 Ų64.50%033%0.334CS..Hα-helixtrans-60.6-47.8178.300000112.9T70 I71 V72 I77 V78T70-G74 WeakPolarHBondContact O-CA 3.02Å; T70-G74 PolarHBondContact O-N 2.76Å; I71-G74 PolarHBondContact O-N 3.16Å; V72-G74 VanDerWaalsContact C-N 3.33Å; V72-G74 PolarHBondContact O-N 3.28Å; G74-I77 PolarHBondContact O-N 3.03Å; G74-V78 WeakPolarHBondContact O-CB 3.32Å; G74-V78 VanDerWaalsContact O-CG2 3.3Å; G74-V78 WeakPolarHBondContact O-CG2 3.32Å; G74-V78 PolarHBondContact O-N 3.42Å
75E91.9Very high91.9Very high3 Ų370 Ų701%0.01435%0.346CS..Hα-helixtrans-68.5-32.4177.3-65-49.5142.600112.7I71 V72 G79 I93 P96 I97 Y181 R185 Y245I71-E75 HydrophobicContact CG2-CG 4.23Å; I71-E75 WeakPolarHBondContact O-CB 3.38Å; I71-E75 VanDerWaalsContact O-CG 3.32Å; I71-E75 WeakPolarHBondContact O-CG 3.39Å; I71-E75 PolarHBondContact O-N 2.8Å; V72-E75 PolarHBondContact O-N 3.45Å; E75-G79 WeakPolarHBondContact O-CA 3.3Å; E75-G79 PolarHBondContact O-N 3.17Å; E75-I93 HydrophobicContact CB-CG1 4.31Å; E75-I93 WeakPolarHBondContact O-CD1 3.36Å; E75-P96 HydrophobicContact CG-CB 4.43Å; E75-P96 WeakPolarHBondContact OE2-CB 3.33Å; E75-I97 HydrophobicContact CB-CD1 4.02Å; E75-I97 HydrophobicContact CB-CG1 3.46Å; E75-I97 VanDerWaalsContact CB-CG1 3.46Å; E75-I97 HydrophobicContact CG-CG1 3.55Å; E75-Y181 PolarHBondContact N-OH 2.99Å; E75-Y181 PolarHBondContact OE1-OH 3.02Å; E75-R185 IonicContact OE1-CZ 3.55Å; E75-R185 IonicContact OE1-NE 3.58Å; E75-R185 PolarHBondContact OE1-NE 3.4Å; E75-R185 IonicContact OE1-NH2 2.65Å; E75-R185 PolarHBondContact OE1-NH2 2.87Å; E75-R185 VanDerWaalsContact OE1-NH2 3.14Å; E75-R185 IonicContact OE2-CZ 3.14Å; E75-R185 IonicContact OE2-NE 3.4Å; E75-R185 IonicContact OE2-NH2 2.79Å; E75-R185 PolarHBondContact OE2-NH2 3.47Å; E75-Y245 PolarHBondContact OE1-OH 3.18Å; E75-Y245 VanDerWaalsContact OE1-OH 3.04Å
76V92.2Very high91.4Very high58 Ų5870 Ų7035%0.35235%0.351SS..Hα-helixtrans-66.6-45.7173.8169.60000111.2V72 V73 V78 G79 V80 I93V72-V76 HydrophobicContact CG1-CG2 4.44Å; V72-V76 WeakPolarHBondContact O-CB 3.26Å; V72-V76 WeakPolarHBondContact O-CG2 3.37Å; V72-V76 PolarHBondContact O-N 3.34Å; V73-V76 PolarHBondContact O-N 3.38Å; V76-V78 VanDerWaalsContact C-N 3.33Å; V76-V78 PolarHBondContact O-N 3.08Å; V76-G79 CarbonylContact O-C 2.97Å; V76-G79 PolarHBondContact O-N 3.07Å; V76-V80 WeakPolarHBondContact O-CG2 3.22Å; V76-V80 PolarHBondContact O-N 3.44Å; V76-I93 HydrophobicContact CB-CD1 4.26Å; V76-I93 HydrophobicContact CG2-CD1 3.72Å
77I90.4Very high90.7Very high88 Ų8874.1 Ų74.145%0.45136%0.363SS..Hα-helixtrans-61.5-43.4177.5-70167.8000110.9V73 G74 V80 I191V73-I77 HydrophobicContact CG1-CD1 3.66Å; V73-I77 HydrophobicContact CG1-CG1 4.31Å; V73-I77 VanDerWaalsContact O-CG1 3.26Å; V73-I77 WeakPolarHBondContact O-CG1 3.38Å; V73-I77 PolarHBondContact O-N 3.43Å; G74-I77 PolarHBondContact O-N 3.03Å; I77-V80 WeakPolarHBondContact O-CG2 3.25Å; I77-I191 HydrophobicContact CG2-CD1 4.17Å
78V87.4Confident90Very high31 Ų3179.4 Ų79.419%0.18839%0.388CS..Hα-helixtrans-70.2-40.8178.8163.10000111.6G74 V76 F186 F189G74-V78 WeakPolarHBondContact O-CB 3.32Å; G74-V78 VanDerWaalsContact O-CG2 3.3Å; G74-V78 WeakPolarHBondContact O-CG2 3.32Å; G74-V78 PolarHBondContact O-N 3.42Å; V76-V78 VanDerWaalsContact C-N 3.33Å; V76-V78 PolarHBondContact O-N 3.08Å; V78-F186 HydrophobicContact CG2-CD1 4.41Å; V78-F186 HydrophobicContact CG2-CE1 4.44Å; V78-F189 HydrophobicContact CB-CD2 4.17Å; V78-F189 HydrophobicContact CB-CE2 4.04Å; V78-F189 HydrophobicContact CB-CZ 4.3Å; V78-F189 HydrophobicContact CG1-CD1 4.3Å; V78-F189 HydrophobicContact CG1-CD2 3.84Å; V78-F189 HydrophobicContact CG1-CE1 3.74Å; V78-F189 HydrophobicContact CG1-CE2 3.23Å; V78-F189 HydrophobicContact CG1-CG 4.35Å; V78-F189 HydrophobicContact CG1-CZ 3.19Å; V78-F189 HydrophobicContact CG2-CD2 3.38Å; V78-F189 HydrophobicContact CG2-CE2 3.65Å; V78-F189 HydrophobicContact CG2-CG 3.92Å; V78-F189 HydrophobicContact CG2-CZ 4.37Å
79G86.2Confident89.3Confident13 Ų1383 Ų8313%0.13441%0.407CS..Hα-helixtrans-91.99.3-172.100000115.4E75 V76 K81 S82 L83E75-G79 WeakPolarHBondContact O-CA 3.3Å; E75-G79 PolarHBondContact O-N 3.17Å; V76-G79 CarbonylContact O-C 2.97Å; V76-G79 PolarHBondContact O-N 3.07Å; G79-K81 PolarHBondContact O-N 3.37Å; G79-K81 VanDerWaalsContact O-N 3.1Å; G79-S82 CarbonylContact O-C 3.46Å; G79-S82 WeakPolarHBondContact O-CA 3.41Å; G79-S82 PolarHBondContact O-N 2.82Å; G79-L83 PolarHBondContact O-N 2.87Å; G79-L83 VanDerWaalsContact O-N 3.13Å
80V86.1Confident88.8Confident87 Ų8782 Ų8253%0.52740%0.402SS..G310 helixtrans-48.4-45.2-173.8175.40000112.6V76 I77 S82 L83V76-V80 WeakPolarHBondContact O-CG2 3.22Å; V76-V80 PolarHBondContact O-N 3.44Å; I77-V80 WeakPolarHBondContact O-CG2 3.25Å; V80-S82 PolarHBondContact O-N 2.91Å; V80-L83 WeakPolarHBondContact O-CG 3.42Å; V80-L83 PolarHBondContact O-N 2.96Å
81K84.6Confident88.4Confident203 Ų20383.8 Ų83.888%0.88341%0.414SS*.G310 helixtrans-68.7-20.5-179.9-65.5-175.7179.6-179.50113.7G79G79-K81 PolarHBondContact O-N 3.37Å; G79-K81 VanDerWaalsContact O-N 3.1Å
82S84.6Confident88Confident38 Ų3886.4 Ų86.427%0.26643%0.43SS..G310 helixtrans-104.22.6-177.2-63.10000113.2G79 V80 R84 R85G79-S82 CarbonylContact O-C 3.46Å; G79-S82 WeakPolarHBondContact O-CA 3.41Å; G79-S82 PolarHBondContact O-N 2.82Å; V80-S82 PolarHBondContact O-N 2.91Å; S82-R84 PolarHBondContact O-N 3.44Å; S82-R85 WeakPolarHBondContact O-CB 3.42Å; S82-R85 PolarHBondContact O-N 3.3Å
83L83.5Confident87.7Confident76 Ų7684.9 Ų84.940%0.39842%0.42SS..THydrogen-bonded Turntrans-57.7-34.1-177-73.9173.1000113.8G79 V80 I93G79-L83 PolarHBondContact O-N 2.87Å; G79-L83 VanDerWaalsContact O-N 3.13Å; V80-L83 WeakPolarHBondContact O-CG 3.42Å; V80-L83 PolarHBondContact O-N 2.96Å; L83-I93 HydrophobicContact CD2-CD1 3.52Å
84R86.9Confident87.5Confident246 Ų24685.2 Ų85.293%0.92842%0.419SS*.THydrogen-bonded Turntrans-89-5.6177.9-65.1-171.7178.9-173.3-0.1113.7S82S82-R84 PolarHBondContact O-N 3.44Å
85R88.9Confident87.4Confident170 Ų17089.4 Ų89.464%0.64244%0.435SS*.  trans-82.6127.9-179-69.8-173.6171.8-178.7-3109.6S82 V92S82-R85 WeakPolarHBondContact O-CB 3.42Å; S82-R85 PolarHBondContact O-N 3.3Å; R85-V92 HydrophobicContact CB-CG2 4.16Å; R85-V92 WeakPolarHBondContact O-CG2 3.26Å; R85-V92 PolarHBondContact O-N 3.14Å
86T88.2Confident87.3Confident86 Ų8690.6 Ų90.653%0.52844%0.443SS..EExtended strand (participates in β ladder)trans-116.2141.4175.1550000110.4I90T86-I90 CarbonylContact C-O 3.16Å; T86-I90 VanDerWaalsContact CA-O 3.24Å; T86-I90 WeakPolarHBondContact CA-O 3.4Å
87Y83.8Confident87.3Confident132 Ų13288.8 Ų88.852%0.51843%0.431SS..EExtended strand (participates in β ladder)trans-118.8124.2169.6-176.5-109.3000108.1N89 I90Y87-N89 VanDerWaalsContact C-N 3.27Å; Y87-N89 PolarHBondContact O-N 3.3Å; Y87-I90 PolarHBondContact N-O 2.79Å; Y87-I90 WeakPolarHBondContact O-CB 3.36Å; Y87-I90 PolarHBondContact O-N 2.93Å
88H82.9Confident87.5Confident122 Ų12287.4 Ų87.457%0.56542%0.421SS*.THydrogen-bonded Turntrans4845.1-170.8-68.8-66.1000113.9I90H88-I90 PolarHBondContact O-N 3.37Å; H88-I90 VanDerWaalsContact O-N 3.15Å
89N84.4Confident87.6Confident153 Ų15387.3 Ų87.382%0.81842%0.419SS*.THydrogen-bonded Turntrans63.67.6-176.2-55.2-29000115.6Y87Y87-N89 VanDerWaalsContact C-N 3.27Å; Y87-N89 PolarHBondContact O-N 3.3Å
90I85.6Confident88Confident77 Ų7786.7 Ų86.740%0.39541%0.413SS..EExtended strand (participates in β ladder)trans-103.4130.8175.9-58.1174.1000108.9T86 Y87 H88 V92 L94 Y95T86-I90 CarbonylContact C-O 3.16Å; T86-I90 VanDerWaalsContact CA-O 3.24Å; T86-I90 WeakPolarHBondContact CA-O 3.4Å; Y87-I90 PolarHBondContact N-O 2.79Å; Y87-I90 WeakPolarHBondContact O-CB 3.36Å; Y87-I90 PolarHBondContact O-N 2.93Å; H88-I90 PolarHBondContact O-N 3.37Å; H88-I90 VanDerWaalsContact O-N 3.15Å; I90-V92 PolarHBondContact O-N 2.96Å; I90-L94 HydrophobicContact CG2-CB 4.49Å; I90-L94 HydrophobicContact CG2-CD1 4.11Å; I90-Y95 HydrophobicContact CB-CE2 4.46Å; I90-Y95 HydrophobicContact CG2-CE2 4.15Å
91P89.4Confident88.5Confident50 Ų5084.4 Ų84.433%0.32540%0.397SS..EExtended strand (participates in β ladder)trans-57128.1174.6-22.931.6000111.8I93 L94P91-I93 HydrophobicContact CB-CG2 4.1Å; P91-I93 PolarHBondContact O-N 3.49Å; P91-I93 VanDerWaalsContact O-N 3.12Å; P91-L94 HydrophobicContact CB-CD1 4.35Å; P91-L94 HydrophobicContact CB-CG 4.21Å; P91-L94 HydrophobicContact CG-CD1 4.16Å; P91-L94 WeakPolarHBondContact O-CB 3.48Å; P91-L94 PolarHBondContact O-N 3.43Å
92V88.1Confident89Confident54 Ų5475.6 Ų75.633%0.32736%0.36SS..THydrogen-bonded Turntrans-61.2-27.1-174.2173.20000112.3R85 I90 L94 Y95 P96R85-V92 HydrophobicContact CB-CG2 4.16Å; R85-V92 WeakPolarHBondContact O-CG2 3.26Å; R85-V92 PolarHBondContact O-N 3.14Å; I90-V92 PolarHBondContact O-N 2.96Å; V92-L94 PolarHBondContact O-N 2.89Å; V92-Y95 WeakPolarHBondContact O-CD2 3.48Å; V92-Y95 PolarHBondContact O-N 3.28Å; V92-P96 WeakPolarHBondContact O-CD 3.41Å
93I89.4Confident89.4Confident20 Ų2074.6 Ų74.610%0.10335%0.352CS..THydrogen-bonded Turntrans-64.6-23.4177.4-168.6169000113.8E75 V76 L83 P91 Y95 P96 I97E75-I93 HydrophobicContact CB-CG1 4.31Å; E75-I93 WeakPolarHBondContact O-CD1 3.36Å; V76-I93 HydrophobicContact CB-CD1 4.26Å; V76-I93 HydrophobicContact CG2-CD1 3.72Å; L83-I93 HydrophobicContact CD2-CD1 3.52Å; P91-I93 HydrophobicContact CB-CG2 4.1Å; P91-I93 PolarHBondContact O-N 3.49Å; P91-I93 VanDerWaalsContact O-N 3.12Å; I93-Y95 VanDerWaalsContact C-N 3.3Å; I93-Y95 PolarHBondContact O-N 3.48Å; I93-P96 VanDerWaalsContact O-CD 3.3Å; I93-P96 WeakPolarHBondContact O-CD 3.31Å; I93-P96 WeakPolarHBondContact O-CG 3.47Å; I93-I97 HydrophobicContact CD1-CD1 4.47Å; I93-I97 HydrophobicContact CG1-CD1 3.95Å; I93-I97 WeakPolarHBondContact O-CG1 3.32Å
94L90.7Very high90.1Very high83 Ų8371 Ų7144%0.43533%0.334SS..Hα-helixtrans-71.7-25.4-177.6-64.6-178.8000113I90 P91 V92 Y98I90-L94 HydrophobicContact CG2-CB 4.49Å; I90-L94 HydrophobicContact CG2-CD1 4.11Å; P91-L94 HydrophobicContact CB-CD1 4.35Å; P91-L94 HydrophobicContact CB-CG 4.21Å; P91-L94 HydrophobicContact CG-CD1 4.16Å; P91-L94 WeakPolarHBondContact O-CB 3.48Å; P91-L94 PolarHBondContact O-N 3.43Å; V92-L94 PolarHBondContact O-N 2.89Å; L94-Y98 WeakPolarHBondContact O-CB 3.49Å; L94-Y98 PolarHBondContact O-N 3.27Å
95Y89.9Confident90.6Very high88 Ų8861.6 Ų61.635%0.34530%0.304SS..Hα-helixtrans-63.6-56.1179.2-67-85.9000113I90 V92 I93 I97 Y98 D99I90-Y95 HydrophobicContact CB-CE2 4.46Å; I90-Y95 HydrophobicContact CG2-CE2 4.15Å; V92-Y95 WeakPolarHBondContact O-CD2 3.48Å; V92-Y95 PolarHBondContact O-N 3.28Å; I93-Y95 VanDerWaalsContact C-N 3.3Å; I93-Y95 PolarHBondContact O-N 3.48Å; Y95-I97 VanDerWaalsContact C-N 3.3Å; Y95-I97 PolarHBondContact O-N 2.96Å; Y95-Y98 PolarHBondContact O-N 3.42Å; Y95-D99 PolarHBondContact O-N 2.94Å
96P89.6Confident90.9Very high28 Ų2856.2 Ų56.218%0.18229%0.286CS..Hα-helixtrans-65.9-31177.725.3-35.1000113.3E75 V92 I93 S100 R185 Y245E75-P96 HydrophobicContact CG-CB 4.43Å; E75-P96 WeakPolarHBondContact OE2-CB 3.33Å; V92-P96 WeakPolarHBondContact O-CD 3.41Å; I93-P96 VanDerWaalsContact O-CD 3.3Å; I93-P96 WeakPolarHBondContact O-CD 3.31Å; I93-P96 WeakPolarHBondContact O-CG 3.47Å; P96-S100 VanDerWaalsContact O-CB 3.31Å; P96-S100 WeakPolarHBondContact O-CB 3.48Å; P96-S100 PolarHBondContact O-N 3.25Å; P96-S100 PolarHBondContact O-OG 2.85Å; P96-R185 VanDerWaalsContact CB-NH2 3.31Å; P96-Y245 HydrophobicContact CB-CE1 4.43Å; P96-Y245 WeakPolarHBondContact CB-OH 3.43Å; P96-Y245 PolarHBondContact O-OH 3.31Å
97I93.2Very high91.3Very high19 Ų1952.2 Ų52.210%0.09726%0.262CS..Hα-helixtrans-61.7-52.3172.6-69.2174000109.6I71 V72 E75 I93 Y95 S100 L101I71-I97 HydrophobicContact CG2-CG2 4.4Å; V72-I97 HydrophobicContact CG2-CG2 4.21Å; E75-I97 HydrophobicContact CB-CD1 4.02Å; E75-I97 HydrophobicContact CB-CG1 3.46Å; E75-I97 VanDerWaalsContact CB-CG1 3.46Å; E75-I97 HydrophobicContact CG-CG1 3.55Å; I93-I97 HydrophobicContact CD1-CD1 4.47Å; I93-I97 HydrophobicContact CG1-CD1 3.95Å; I93-I97 WeakPolarHBondContact O-CG1 3.32Å; Y95-I97 VanDerWaalsContact C-N 3.3Å; Y95-I97 PolarHBondContact O-N 2.96Å; I97-S100 PolarHBondContact O-N 3.07Å; I97-L101 HydrophobicContact CG2-CD1 3.62Å; I97-L101 HydrophobicContact CG2-CG 4.33Å; I97-L101 WeakPolarHBondContact O-CB 3.25Å; I97-L101 VanDerWaalsContact O-CG 3.25Å; I97-L101 WeakPolarHBondContact O-CG 3.4Å; I97-L101 PolarHBondContact O-N 3.13Å
98Y93.1Very high92Very high60 Ų6046.7 Ų46.724%0.23524%0.24CC..Hα-helixtrans-58-51.7178.7173.7-92.7000111.3V11 D14 L94 Y95 S100 L101 I102V11-Y98 WeakPolarHBondContact CA-OH 3.12Å; V11-Y98 HydrophobicContact CG1-CE2 4.46Å; V11-Y98 HydrophobicContact CG2-CE1 4.35Å; V11-Y98 HydrophobicContact CG2-CE2 4.41Å; D14-Y98 WeakPolarHBondContact CB-OH 3.35Å; D14-Y98 PolarHBondContact OD2-OH 3.26Å; L94-Y98 WeakPolarHBondContact O-CB 3.49Å; L94-Y98 PolarHBondContact O-N 3.27Å; Y95-Y98 PolarHBondContact O-N 3.42Å; Y98-S100 VanDerWaalsContact C-N 3.32Å; Y98-S100 PolarHBondContact O-N 2.92Å; Y98-L101 PolarHBondContact O-N 3.34Å; Y98-I102 HydrophobicContact CD1-CG1 4.2Å; Y98-I102 HydrophobicContact CD2-CG1 4.09Å; Y98-I102 HydrophobicContact CE1-CG1 3.76Å; Y98-I102 HydrophobicContact CE2-CD1 3.88Å; Y98-I102 HydrophobicContact CE2-CG1 3.66Å; Y98-I102 HydrophobicContact CG-CG1 4.34Å; Y98-I102 VanDerWaalsContact CZ-CG1 3.45Å; Y98-I102 WeakPolarHBondContact O-CG1 3.41Å; Y98-I102 PolarHBondContact O-N 2.7Å
99D91.4Very high92.7Very high29 Ų2943.1 Ų43.116%0.15522%0.223CC..Hα-helixtrans-59.7-42.9-178-71.3-11.7000111.7R10 Y95 V103 P244R10-D99 IonicContact CZ-OD1 2.7Å; R10-D99 IonicContact NH1-OD1 3.42Å; R10-D99 VanDerWaalsContact NH2-CG 3.3Å; R10-D99 IonicContact NH2-OD1 3.56Å; R10-D99 PolarHBondContact NH2-OD1 3.44Å; R10-D99 IonicContact NH2-OD2 3.38Å; Y95-D99 PolarHBondContact O-N 2.94Å; D99-V103 VanDerWaalsContact O-CG2 3.26Å; D99-V103 WeakPolarHBondContact O-CG2 3.14Å; D99-V103 PolarHBondContact O-N 2.95Å; D99-P244 HydrophobicContact CB-CB 4.5Å; D99-P244 HydrophobicContact CB-CG 3.78Å
100S93.7Very high93.3Very high0 Ų037.2 Ų37.20%020%0.196CC..Hα-helixtrans-67-41.2177.8-53.30000112.2P96 I97 Y98 A104 Y245P96-S100 VanDerWaalsContact O-CB 3.31Å; P96-S100 WeakPolarHBondContact O-CB 3.48Å; P96-S100 PolarHBondContact O-N 3.25Å; P96-S100 PolarHBondContact O-OG 2.85Å; I97-S100 PolarHBondContact O-N 3.07Å; Y98-S100 VanDerWaalsContact C-N 3.32Å; Y98-S100 PolarHBondContact O-N 2.92Å; S100-A104 WeakPolarHBondContact O-CB 3.38Å; S100-A104 PolarHBondContact O-N 3.27Å; S100-Y245 PolarHBondContact OG-OH 3.45Å
101L95.9Very high93.9Very high39 Ų3933.6 Ų33.620%0.20418%0.177CC..Hα-helixtrans-68.8-38.8-179.8-75173000112.2I67 L68 I71 I97 Y98 A104 C105I67-L101 HydrophobicContact CG2-CD2 4.17Å; L68-L101 HydrophobicContact CD1-CD1 4.03Å; L68-L101 HydrophobicContact CD1-CD2 4.12Å; I71-L101 HydrophobicContact CB-CD2 4.42Å; I71-L101 HydrophobicContact CD1-CD2 3.71Å; I71-L101 HydrophobicContact CD1-CG 4.19Å; I71-L101 HydrophobicContact CG2-CD2 4.48Å; I71-L101 HydrophobicContact CG2-CG 4.25Å; I97-L101 HydrophobicContact CG2-CD1 3.62Å; I97-L101 HydrophobicContact CG2-CG 4.33Å; I97-L101 WeakPolarHBondContact O-CB 3.25Å; I97-L101 VanDerWaalsContact O-CG 3.25Å; I97-L101 WeakPolarHBondContact O-CG 3.4Å; I97-L101 PolarHBondContact O-N 3.13Å; Y98-L101 PolarHBondContact O-N 3.34Å; L101-A104 PolarHBondContact O-N 3.09Å; L101-C105 WeakPolarHBondContact O-CB 3.4Å; L101-C105 PolarHBondContact O-N 2.88Å; L101-C105 PolarHBondContact O-SG 2.72Å
102I94.8Very high94.3Very high18 Ų1832 Ų329%0.09217%0.166CC..Hα-helixtrans-63.7-47.3177.1-72.6-61.9000110.4D14 I18 Y98 A104 C105 F106D14-I102 HydrophobicContact CB-CD1 4.23Å; D14-I102 HydrophobicContact CB-CG2 4.1Å; I18-I102 HydrophobicContact CD1-CD1 3.66Å; Y98-I102 HydrophobicContact CD1-CG1 4.2Å; Y98-I102 HydrophobicContact CD2-CG1 4.09Å; Y98-I102 HydrophobicContact CE1-CG1 3.76Å; Y98-I102 HydrophobicContact CE2-CD1 3.88Å; Y98-I102 HydrophobicContact CE2-CG1 3.66Å; Y98-I102 HydrophobicContact CG-CG1 4.34Å; Y98-I102 VanDerWaalsContact CZ-CG1 3.45Å; Y98-I102 WeakPolarHBondContact O-CG1 3.41Å; Y98-I102 PolarHBondContact O-N 2.7Å; I102-A104 VanDerWaalsContact C-N 3.31Å; I102-A104 PolarHBondContact O-N 3.26Å; I102-C105 PolarHBondContact O-N 3.38Å; I102-C105 VanDerWaalsContact O-N 3.17Å; I102-F106 HydrophobicContact CG2-CD2 3.61Å; I102-F106 HydrophobicContact CG2-CE2 3.48Å; I102-F106 VanDerWaalsContact CG2-CE2 3.48Å; I102-F106 VanDerWaalsContact O-CD2 3.22Å; I102-F106 WeakPolarHBondContact O-CD2 3.17Å; I102-F106 PolarHBondContact O-N 2.93Å
103V94.9Very high94.8Very high17 Ų1729.9 Ų29.910%0.10315%0.154CC..Hα-helixtrans-60.8-42.3176.2176.10000111.2D99 F106 G107 F177 T239 Y242 L243D99-V103 VanDerWaalsContact O-CG2 3.26Å; D99-V103 WeakPolarHBondContact O-CG2 3.14Å; D99-V103 PolarHBondContact O-N 2.95Å; V103-F106 PolarHBondContact O-N 3.41Å; V103-G107 PolarHBondContact O-N 2.64Å; V103-G107 VanDerWaalsContact O-N 3.1Å; V103-F177 HydrophobicContact CG1-CE2 4.18Å; V103-T239 WeakPolarHBondContact CG1-O 3.47Å; V103-Y242 VanDerWaalsContact CG2-O 3.28Å; V103-Y242 WeakPolarHBondContact CG2-O 3.27Å; V103-L243 HydrophobicContact CB-CD2 4.41Å; V103-L243 HydrophobicContact CG1-CD2 4.21Å; V103-L243 HydrophobicContact CG1-CG 4.31Å
104A97Very high95.2Very high1 Ų133.3 Ų33.31%0.00817%0.172CC..Hα-helixtrans-60.7-44.8174.800000111.7I67 I71 S100 L101 I102 G107 Y108 Y173 F177I67-A104 HydrophobicContact CG2-CB 3.71Å; I71-A104 HydrophobicContact CD1-CB 4.38Å; S100-A104 WeakPolarHBondContact O-CB 3.38Å; S100-A104 PolarHBondContact O-N 3.27Å; L101-A104 PolarHBondContact O-N 3.09Å; I102-A104 VanDerWaalsContact C-N 3.31Å; I102-A104 PolarHBondContact O-N 3.26Å; A104-G107 PolarHBondContact O-N 2.73Å; A104-Y108 WeakPolarHBondContact O-CB 3.29Å; A104-Y108 PolarHBondContact O-N 3.37Å; A104-Y173 WeakPolarHBondContact CA-OH 3.26Å; A104-Y173 PolarHBondContact O-OH 3.04Å; A104-F177 HydrophobicContact CB-CD1 4.23Å; A104-F177 HydrophobicContact CB-CE1 3.51Å; A104-F177 HydrophobicContact CB-CE2 4.17Å; A104-F177 HydrophobicContact CB-CZ 3.47Å; A104-F177 VanDerWaalsContact CB-CZ 3.47Å
105C96.8Very high95.6Very high47 Ų4729.4 Ų29.432%0.31815%0.152SC..Hα-helixtrans-64-44.4179-71.30000111.6I18 L101 I102 G107 Y108 F109I18-C105 HydrophobicContact CD1-CB 3.92Å; L101-C105 WeakPolarHBondContact O-CB 3.4Å; L101-C105 PolarHBondContact O-N 2.88Å; L101-C105 PolarHBondContact O-SG 2.72Å; I102-C105 PolarHBondContact O-N 3.38Å; I102-C105 VanDerWaalsContact O-N 3.17Å; C105-G107 PolarHBondContact O-N 3.2Å; C105-Y108 WeakPolarHBondContact O-CB 3.36Å; C105-Y108 PolarHBondContact O-N 3.43Å; C105-F109 HydrophobicContact CB-CD2 4.38Å; C105-F109 HydrophobicContact CB-CE2 4.32Å; C105-F109 WeakPolarHBondContact O-CD2 3.21Å; C105-F109 PolarHBondContact O-N 3.47Å
106F95.8Very high95.9Very high58 Ų5825.6 Ų25.625%0.25414%0.138SC..Hα-helixtrans-57.2-51.4176.8-87.8-63.3000112.1D14 F17 I18 L21 I102 V103 Y108 F109 A110D14-F106 WeakPolarHBondContact O-CZ 3.26Å; F17-F106 HydrophobicContact CB-CE1 3.54Å; F17-F106 HydrophobicContact CB-CZ 3.6Å; I18-F106 HydrophobicContact CD1-CE2 4.27Å; I18-F106 HydrophobicContact CD1-CZ 4.42Å; I18-F106 HydrophobicContact CG1-CD1 4.25Å; I18-F106 HydrophobicContact CG1-CD2 4.39Å; I18-F106 HydrophobicContact CG1-CE1 3.85Å; I18-F106 HydrophobicContact CG1-CE2 4.05Å; I18-F106 HydrophobicContact CG1-CG 4.48Å; I18-F106 HydrophobicContact CG1-CZ 3.75Å; L21-F106 HydrophobicContact CD1-CD1 3.61Å; L21-F106 HydrophobicContact CD1-CE1 4.01Å; I102-F106 HydrophobicContact CG2-CD2 3.61Å; I102-F106 HydrophobicContact CG2-CE2 3.48Å; I102-F106 VanDerWaalsContact CG2-CE2 3.48Å; I102-F106 VanDerWaalsContact O-CD2 3.22Å; I102-F106 WeakPolarHBondContact O-CD2 3.17Å; I102-F106 PolarHBondContact O-N 2.93Å; V103-F106 PolarHBondContact O-N 3.41Å; F106-Y108 VanDerWaalsContact C-N 3.3Å; F106-Y108 PolarHBondContact O-N 3.41Å; F106-F109 PolarHBondContact O-N 2.88Å; F106-A110 WeakPolarHBondContact O-CB 3.39Å; F106-A110 PolarHBondContact O-N 2.92Å
107G97.4Very high96.3Very high2 Ų227.4 Ų27.42%0.02115%0.148CC..Hα-helixtrans-62.4-37.9176.900000113.2V103 A104 C105 T111 Y173 V235V103-G107 PolarHBondContact O-N 2.64Å; V103-G107 VanDerWaalsContact O-N 3.1Å; A104-G107 PolarHBondContact O-N 2.73Å; C105-G107 PolarHBondContact O-N 3.2Å; G107-T111 WeakPolarHBondContact O-CB 3.38Å; G107-T111 PolarHBondContact O-N 3.47Å; G107-T111 PolarHBondContact O-OG1 3.02Å; G107-Y173 WeakPolarHBondContact CA-OH 3.35Å; G107-V235 WeakPolarHBondContact O-CG1 3.31Å
108Y98.2Very high96.5Very high15 Ų1527 Ų276%0.05915%0.148CC..Hα-helixtrans-63-51.6178.6-164.9-87.9000111.7Y60 S63 I67 A104 C105 F106 T111 I112 I170 Y173Y60-Y108 HydrophobicContact CD1-CE1 4.46Å; Y60-Y108 WeakPolarHBondContact CD1-OH 3.02Å; S63-Y108 PolarHBondContact OG-OH 3.08Å; I67-Y108 HydrophobicContact CD1-CD2 3.94Å; I67-Y108 HydrophobicContact CD1-CE2 4.3Å; A104-Y108 WeakPolarHBondContact O-CB 3.29Å; A104-Y108 PolarHBondContact O-N 3.37Å; C105-Y108 WeakPolarHBondContact O-CB 3.36Å; C105-Y108 PolarHBondContact O-N 3.43Å; F106-Y108 VanDerWaalsContact C-N 3.3Å; F106-Y108 PolarHBondContact O-N 3.41Å; Y108-T111 WeakPolarHBondContact O-CB 3.34Å; Y108-T111 PolarHBondContact O-N 3.05Å; Y108-I112 HydrophobicContact CD1-CD1 4.07Å; Y108-I112 HydrophobicContact CE1-CD1 3.92Å; Y108-I112 PolarHBondContact O-N 2.88Å; Y108-I112 VanDerWaalsContact O-N 3.12Å; Y108-I170 HydrophobicContact CD1-CD1 4.41Å; Y108-I170 HydrophobicContact CD2-CG2 4.37Å; Y108-I170 HydrophobicContact CE1-CD1 4.29Å; Y108-I170 HydrophobicContact CE1-CG2 4.44Å; Y108-I170 HydrophobicContact CE2-CD1 4.41Å; Y108-I170 HydrophobicContact CE2-CG2 3.46Å; Y108-I170 VanDerWaalsContact CE2-CG2 3.46Å; Y108-I170 WeakPolarHBondContact OH-CG2 3.44Å; Y108-Y173 VanDerWaalsContact CA-CE1 3.49Å; Y108-Y173 AromaticContact CD2-CD1 3.88Å; Y108-Y173 HydrophobicContact CD2-CD1 3.88Å; Y108-Y173 AromaticContact CD2-CE1 3.87Å; Y108-Y173 HydrophobicContact CD2-CE1 3.87Å; Y108-Y173 HydrophobicContact CG-CD1 4.49Å; Y108-Y173 HydrophobicContact CG-CE1 4.29Å; Y108-Y173 VanDerWaalsContact N-CZ 3.34Å; Y108-Y173 PolarHBondContact N-OH 3.33Å
109F97.7Very high96.7Very high47 Ų4725.4 Ų25.421%0.20614%0.143CC..Hα-helixtrans-70.8-33.1178.9-69.9-63.2000112.8I18 L21 I22 N25 C105 F106 T111 I112 G113I18-F109 HydrophobicContact CG2-CD2 4.06Å; I18-F109 HydrophobicContact CG2-CE2 3.87Å; L21-F109 HydrophobicContact CB-CB 3.99Å; L21-F109 HydrophobicContact CD1-CB 4.19Å; I22-F109 HydrophobicContact CD1-CE1 4.12Å; I22-F109 HydrophobicContact CD1-CE2 4.07Å; I22-F109 HydrophobicContact CD1-CZ 3.75Å; I22-F109 HydrophobicContact CG1-CD1 3.86Å; I22-F109 HydrophobicContact CG1-CD2 4.35Å; I22-F109 HydrophobicContact CG1-CE1 3.58Å; I22-F109 HydrophobicContact CG1-CE2 4.11Å; I22-F109 HydrophobicContact CG1-CG 4.26Å; I22-F109 HydrophobicContact CG1-CZ 3.72Å; N25-F109 PolarHBondContact ND2-O 3.4Å; C105-F109 HydrophobicContact CB-CD2 4.38Å; C105-F109 HydrophobicContact CB-CE2 4.32Å; C105-F109 WeakPolarHBondContact O-CD2 3.21Å; C105-F109 PolarHBondContact O-N 3.47Å; F106-F109 PolarHBondContact O-N 2.88Å; F109-T111 VanDerWaalsContact C-N 3.32Å; F109-I112 HydrophobicContact CD1-CD1 4.16Å; F109-I112 PolarHBondContact O-N 3.47Å; F109-G113 PolarHBondContact O-N 3.4Å
110A97.1Very high96.9Very high30 Ų3025.2 Ų25.225%0.24814%0.142CC..Hα-helixtrans-62.7-40.2170.900000111.5F106 I112 G113 L114F106-A110 WeakPolarHBondContact O-CB 3.39Å; F106-A110 PolarHBondContact O-N 2.92Å; A110-I112 PolarHBondContact O-N 2.87Å; A110-G113 PolarHBondContact O-N 3.34Å; A110-L114 WeakPolarHBondContact O-CB 3.29Å; A110-L114 VanDerWaalsContact O-CG 3.29Å; A110-L114 WeakPolarHBondContact O-CG 3.24Å; A110-L114 PolarHBondContact O-N 3.34Å
111T98.4Very high97Very high0 Ų028.9 Ų28.90%017%0.168CC..Hα-helixtrans-61.2-43.4175.3-60.80000111.4G107 Y108 F109 T115 I170 Y173 L231 V235G107-T111 WeakPolarHBondContact O-CB 3.38Å; G107-T111 PolarHBondContact O-N 3.47Å; G107-T111 PolarHBondContact O-OG1 3.02Å; Y108-T111 WeakPolarHBondContact O-CB 3.34Å; Y108-T111 PolarHBondContact O-N 3.05Å; F109-T111 VanDerWaalsContact C-N 3.32Å; T111-T115 VanDerWaalsContact O-CB 3.27Å; T111-T115 WeakPolarHBondContact O-CB 3.49Å; T111-T115 PolarHBondContact O-N 3.41Å; T111-T115 VanDerWaalsContact O-N 3.09Å; T111-T115 PolarHBondContact O-OG1 2.88Å; T111-I170 HydrophobicContact CG2-CD1 3.68Å; T111-I170 HydrophobicContact CG2-CG1 4.35Å; T111-Y173 WeakPolarHBondContact OG1-CD2 3.38Å; T111-L231 HydrophobicContact CG2-CD2 3.81Å; T111-V235 VanDerWaalsContact OG1-CG1 3.26Å; T111-V235 WeakPolarHBondContact OG1-CG1 3.29Å
112I98Very high97Very high18 Ų1832.5 Ų32.59%0.09218%0.182CC..Hα-helixtrans-58.8-52.9174.1-63.8178.7000109.9N25 Y60 Y108 F109 A110 T115 D116 I170N25-I112 HydrophobicContact CB-CG2 4.1Å; Y60-I112 HydrophobicContact CE1-CD1 4.28Å; Y108-I112 HydrophobicContact CD1-CD1 4.07Å; Y108-I112 HydrophobicContact CE1-CD1 3.92Å; Y108-I112 PolarHBondContact O-N 2.88Å; Y108-I112 VanDerWaalsContact O-N 3.12Å; F109-I112 HydrophobicContact CD1-CD1 4.16Å; F109-I112 PolarHBondContact O-N 3.47Å; A110-I112 PolarHBondContact O-N 2.87Å; I112-T115 PolarHBondContact O-N 3.15Å; I112-D116 PolarHBondContact O-N 2.95Å; I112-I170 HydrophobicContact CD1-CD1 4.28Å; I112-I170 HydrophobicContact CG1-CD1 3.43Å; I112-I170 VanDerWaalsContact CG1-CD1 3.43Å; I112-I170 HydrophobicContact CG1-CG1 4.19Å
113G97.7Very high97Very high8 Ų831.7 Ų31.78%0.08218%0.178CC..Hα-helixtrans-60.8-49.7-176.100000113.3N25 F109 A110 T115 D116 V117N25-G113 WeakPolarHBondContact OD1-CA 2.94Å; N25-G113 PolarHBondContact OD1-N 3.29Å; F109-G113 PolarHBondContact O-N 3.4Å; A110-G113 PolarHBondContact O-N 3.34Å; G113-T115 VanDerWaalsContact C-N 3.27Å; G113-T115 PolarHBondContact O-N 2.94Å; G113-D116 PolarHBondContact O-N 2.88Å; G113-D116 VanDerWaalsContact O-N 3.13Å; G113-V117 WeakPolarHBondContact O-CG2 3.39Å; G113-V117 PolarHBondContact O-N 2.93Å
114L98.1Very high97Very high92 Ų9233.8 Ų33.848%0.48218%0.184SC..Hα-helixtrans-61.7-37.2178.3-69.6172000112.1A110 G118 L231 V235A110-L114 WeakPolarHBondContact O-CB 3.29Å; A110-L114 VanDerWaalsContact O-CG 3.29Å; A110-L114 WeakPolarHBondContact O-CG 3.24Å; A110-L114 PolarHBondContact O-N 3.34Å; L114-G118 PolarHBondContact O-N 3.45Å; L114-L231 HydrophobicContact CB-CD1 4.07Å; L114-L231 HydrophobicContact CB-CD2 4.27Å; L114-L231 HydrophobicContact CB-CG 4.47Å; L114-V235 HydrophobicContact CD1-CG2 3.71Å
115T98.2Very high97Very high1 Ų134.1 Ų34.11%0.00619%0.186CC..Hα-helixtrans-66.1-43.1174.9-59.90000111.3T111 I112 G113 G118 K119 P164 G166 S169T111-T115 VanDerWaalsContact O-CB 3.27Å; T111-T115 WeakPolarHBondContact O-CB 3.49Å; T111-T115 PolarHBondContact O-N 3.41Å; T111-T115 VanDerWaalsContact O-N 3.09Å; T111-T115 PolarHBondContact O-OG1 2.88Å; I112-T115 PolarHBondContact O-N 3.15Å; G113-T115 VanDerWaalsContact C-N 3.27Å; G113-T115 PolarHBondContact O-N 2.94Å; T115-G118 PolarHBondContact O-N 3.13Å; T115-K119 HydrophobicContact CG2-CD 4.38Å; T115-K119 WeakPolarHBondContact O-CG 3.27Å; T115-K119 PolarHBondContact O-N 3.37Å; T115-P164 HydrophobicContact CG2-CG 3.9Å; T115-G166 VanDerWaalsContact CG2-CA 3.43Å; T115-S169 WeakPolarHBondContact OG1-CB 3.49Å; T115-S169 PolarHBondContact OG1-OG 2.95Å; T115-S169 VanDerWaalsContact OG1-OG 3.04Å
116D97Very high97Very high9 Ų934.4 Ų34.45%0.04818%0.18CC..Hα-helixtrans-71.2-35-179.4-72.2-21.7000112.2L28 Q29 I112 G113 G118 K119 V120L28-D116 HydrophobicContact CB-CB 4.15Å; Q29-D116 WeakPolarHBondContact CG-OD2 3.2Å; Q29-D116 PolarHBondContact NE2-OD2 3.3Å; Q29-D116 VanDerWaalsContact NE2-OD2 3.16Å; I112-D116 PolarHBondContact O-N 2.95Å; G113-D116 PolarHBondContact O-N 2.88Å; G113-D116 VanDerWaalsContact O-N 3.13Å; D116-G118 VanDerWaalsContact C-N 3.34Å; D116-G118 PolarHBondContact O-N 2.87Å; D116-K119 PolarHBondContact O-N 2.83Å; D116-K119 WeakPolarHBondContact OD1-CD 3.34Å; D116-K119 IonicContact OD1-NZ 2.81Å; D116-K119 PolarHBondContact OD1-NZ 2.91Å; D116-V120 WeakPolarHBondContact O-CG2 3.34Å; D116-V120 PolarHBondContact O-N 3.42Å
117V97.6Very high97Very high66 Ų6631.7 Ų31.740%0.417%0.168SC..Hα-helixtrans-54.9-50.9166.5169.80000110.1L28 G113 K119 V120 S121L28-V117 HydrophobicContact CD1-CG2 3.92Å; L28-V117 HydrophobicContact CD2-CG2 4.14Å; G113-V117 WeakPolarHBondContact O-CG2 3.39Å; G113-V117 PolarHBondContact O-N 2.93Å; V117-K119 PolarHBondContact O-N 3.03Å; V117-V120 PolarHBondContact O-N 3.27Å; V117-S121 WeakPolarHBondContact O-CB 3.35Å; V117-S121 PolarHBondContact O-N 3.23Å; V117-S121 PolarHBondContact O-OG 2.93Å
118G97.1Very high96.9Very high9 Ų931.8 Ų31.89%0.09317%0.168CC..Hα-helixtrans-56.5-48.8176.800000112.7L114 T115 D116 V120 S121 F122 F163L114-G118 PolarHBondContact O-N 3.45Å; T115-G118 PolarHBondContact O-N 3.13Å; D116-G118 VanDerWaalsContact C-N 3.34Å; D116-G118 PolarHBondContact O-N 2.87Å; G118-V120 VanDerWaalsContact C-N 3.31Å; G118-V120 PolarHBondContact O-N 2.84Å; G118-S121 PolarHBondContact O-N 2.92Å; G118-F122 WeakPolarHBondContact O-CB 3.31Å; G118-F122 WeakPolarHBondContact O-CD2 2.91Å; G118-F122 PolarHBondContact O-N 3.34Å; G118-F163 CarbonylContact C-O 3.53Å; G118-F163 VanDerWaalsContact C-O 3.32Å
119K97.1Very high96.8Very high28 Ų2831 Ų3112%0.12217%0.165CC..Hα-helixtrans-59.8-40.5-179.4-72.8167.8-173160.40113T115 D116 V117 G123 K161 F163 P164T115-K119 HydrophobicContact CG2-CD 4.38Å; T115-K119 WeakPolarHBondContact O-CG 3.27Å; T115-K119 PolarHBondContact O-N 3.37Å; D116-K119 PolarHBondContact O-N 2.83Å; D116-K119 WeakPolarHBondContact OD1-CD 3.34Å; D116-K119 IonicContact OD1-NZ 2.81Å; D116-K119 PolarHBondContact OD1-NZ 2.91Å; V117-K119 PolarHBondContact O-N 3.03Å; K119-G123 PolarHBondContact O-N 3.43Å; K119-K161 HydrophobicContact CB-CB 4.02Å; K119-K161 HydrophobicContact CB-CD 4.41Å; K119-K161 HydrophobicContact CB-CG 4.13Å; K119-K161 HydrophobicContact CD-CB 4.11Å; K119-K161 HydrophobicContact CG-CB 4.18Å; K119-F163 WeakPolarHBondContact CA-O 3.25Å; K119-F163 PolarHBondContact N-O 2.94Å; K119-P164 WeakPolarHBondContact CE-O 3.34Å
120V95.9Very high96.6Very high24 Ų2430.5 Ų30.515%0.14516%0.164CC..Hα-helixtrans-71.3-43.4179.6171.60000110.6V31 Y34 D116 V117 G118V31-V120 HydrophobicContact CB-CG1 4.22Å; V31-V120 HydrophobicContact CB-CG2 4.06Å; V31-V120 HydrophobicContact CG1-CG1 3.54Å; V31-V120 HydrophobicContact CG1-CG2 4.28Å; Y34-V120 PolarHBondContact N-O 3.49Å; D116-V120 WeakPolarHBondContact O-CG2 3.34Å; D116-V120 PolarHBondContact O-N 3.42Å; V117-V120 PolarHBondContact O-N 3.27Å; G118-V120 VanDerWaalsContact C-N 3.31Å; G118-V120 PolarHBondContact O-N 2.84Å
121S96Very high96.4Very high77 Ų7732.3 Ų32.354%0.53817%0.17SC..Hα-helixtrans-68.7-46-178.1-61.60000113.3V117 G118V117-S121 WeakPolarHBondContact O-CB 3.35Å; V117-S121 PolarHBondContact O-N 3.23Å; V117-S121 PolarHBondContact O-OG 2.93Å; G118-S121 PolarHBondContact O-N 2.92Å
122F95.9Very high96.2Very high116 Ų11634 Ų3451%0.50918%0.18SC..Hα-helixtrans-81.5-32.4-175.2-70.4-69.1000113.4G118 R124 F163G118-F122 WeakPolarHBondContact O-CB 3.31Å; G118-F122 WeakPolarHBondContact O-CD2 2.91Å; G118-F122 PolarHBondContact O-N 3.34Å; F122-R124 PolarHBondContact O-N 2.94Å; F122-F163 HydrophobicContact CB-CD1 4.44Å; F122-F163 AromaticContact CD2-CD1 3.37Å; F122-F163 HydrophobicContact CD2-CD1 3.37Å; F122-F163 AromaticContact CD2-CE1 3.81Å; F122-F163 HydrophobicContact CD2-CE1 3.81Å; F122-F163 AromaticContact CE2-CD1 3.64Å; F122-F163 HydrophobicContact CE2-CD1 3.64Å; F122-F163 AromaticContact CE2-CE1 3.54Å; F122-F163 HydrophobicContact CE2-CE1 3.54Å; F122-F163 AromaticContact CG-CD1 3.91Å; F122-F163 HydrophobicContact CG-CD1 3.91Å; F122-F163 HydrophobicContact CZ-CD1 4.37Å; F122-F163 HydrophobicContact CZ-CE1 4.04Å
123G94.5Very high95.9Very high0 Ų033.2 Ų33.20%018%0.176CC..  trans56.424.5179.500000114.8Y34 K119 L125 R160Y34-G123 WeakPolarHBondContact O-CA 3.35Å; K119-G123 PolarHBondContact O-N 3.43Å; G123-L125 PolarHBondContact O-N 3.45Å; G123-R160 CarbonylContact C-O 3.57Å; G123-R160 WeakPolarHBondContact CA-O 3.49Å
124R96.5Very high95.6Very high62 Ų6239.3 Ų39.323%0.23420%0.2CC..PPolyproline II helixtrans-64.8131.1-175.6-171.8-173.5-179.8169.76.3110F122 R160 S162 F163 H221 S223 D224F122-R124 PolarHBondContact O-N 2.94Å; R124-R160 CarbonylContact O-C 3.56Å; R124-R160 VanDerWaalsContact O-C 3.24Å; R124-S162 WeakPolarHBondContact O-CB 3.36Å; R124-S162 PolarHBondContact O-N 2.96Å; R124-F163 HydrophobicContact CB-CB 3.98Å; R124-H221 PolarHBondContact NE-ND1 3.24Å; R124-H221 VanDerWaalsContact NH2-CG 3.34Å; R124-S223 PolarHBondContact NH1-OG 2.88Å; R124-S223 PolarHBondContact NH2-OG 3.05Å; R124-D224 VanDerWaalsContact CD-OD1 3.26Å; R124-D224 WeakPolarHBondContact CD-OD1 3.3Å; R124-D224 IonicContact CZ-OD1 3.59Å; R124-D224 IonicContact NE-OD1 3.37Å; R124-D224 IonicContact NH1-OD1 2.66Å; R124-D224 PolarHBondContact NH1-OD1 3.21Å
125L96Very high95.2Very high8 Ų836.4 Ų36.44%0.04219%0.187CC..PPolyproline II helixtrans-68.9143176.7-50.4-175.9000110.8Y38 I45 G123 F129 R160 S162 H221Y38-L125 HydrophobicContact CD1-CD1 3.98Å; Y38-L125 HydrophobicContact CG-CD1 4.2Å; I45-L125 HydrophobicContact CD1-CD1 4.13Å; I45-L125 HydrophobicContact CG2-CB 3.92Å; G123-L125 PolarHBondContact O-N 3.45Å; L125-F129 HydrophobicContact CB-CB 4.11Å; L125-F129 HydrophobicContact CB-CD2 4.13Å; L125-F129 HydrophobicContact CB-CG 4Å; L125-F129 HydrophobicContact CD1-CD1 3.89Å; L125-F129 HydrophobicContact CD1-CE1 3.99Å; L125-F129 HydrophobicContact CD1-CG 4.2Å; L125-F129 HydrophobicContact CD1-CZ 4.4Å; L125-F129 HydrophobicContact CD2-CD2 3.85Å; L125-F129 HydrophobicContact CD2-CE1 4.33Å; L125-F129 HydrophobicContact CD2-CE2 3.69Å; L125-F129 HydrophobicContact CD2-CG 4.28Å; L125-F129 HydrophobicContact CD2-CZ 3.92Å; L125-F129 HydrophobicContact CG-CD2 4.39Å; L125-F129 HydrophobicContact CG-CG 4.38Å; L125-R160 HydrophobicContact CD2-CB 4.44Å; L125-R160 HydrophobicContact CD2-CG 3.84Å; L125-S162 WeakPolarHBondContact O-CB 3.22Å; L125-H221 PolarHBondContact O-CE1 2.88Å; L125-H221 VanDerWaalsContact O-CE1 3.23Å
126R96.3Very high94.7Very high52 Ų5238.9 Ų38.920%0.19621%0.205CC..PPolyproline II helixtrans-77.4160.9176.4-73.1-173.6-179175.90.9112N128 F129 A158 P159 K161 K219R126-N128 WeakPolarHBondContact CB-OD1 3.39Å; R126-N128 PolarHBondContact O-N 3.39Å; R126-N128 VanDerWaalsContact O-N 3.1Å; R126-F129 WeakPolarHBondContact O-CB 3.4Å; R126-F129 PolarHBondContact O-N 2.89Å; R126-A158 VanDerWaalsContact CZ-O 3.3Å; R126-A158 PolarHBondContact NE-O 3.41Å; R126-P159 WeakPolarHBondContact CB-O 3.25Å; R126-P159 WeakPolarHBondContact CG-O 3.35Å; R126-P159 PolarHBondContact N-O 2.9Å; R126-K161 PolarHBondContact NE-O 2.88Å; R126-K161 VanDerWaalsContact NE-O 3.1Å; R126-K161 PolarHBondContact NH2-O 3.37Å; R126-K219 VanDerWaalsContact CD-O 3.24Å; R126-K219 WeakPolarHBondContact CD-O 3.32Å; R126-K219 VanDerWaalsContact CG-O 3.29Å; R126-K219 WeakPolarHBondContact CG-O 3.42Å
127P97.5Very high94.1Very high2 Ų244.6 Ų44.61%0.01324%0.235CC..THydrogen-bonded Turntrans-60-24.2177.8-23.932.7000115.2S44 I45 K46 K47 N218S44-P127 WeakPolarHBondContact O-CA 3.12Å; I45-P127 CarbonylContact C-O 3.5Å; I45-P127 VanDerWaalsContact CA-O 3.27Å; I45-P127 WeakPolarHBondContact CA-O 3.17Å; K46-P127 PolarHBondContact N-O 2.77Å; K47-P127 HydrophobicContact CB-CB 4.32Å; K47-P127 WeakPolarHBondContact CB-O 3.17Å; K47-P127 HydrophobicContact CD-CB 3.92Å; K47-P127 HydrophobicContact CG-CB 4.2Å; K47-P127 PolarHBondContact N-O 3.19Å; P127-N218 HydrophobicContact CB-CB 4.48Å
128N94.9Very high93.4Very high3 Ų345.3 Ų45.32%0.01624%0.236CC..THydrogen-bonded Turntrans-102.822.9177.859.78.8000114K47 R126 L130 D131 V132 N218K47-N128 WeakPolarHBondContact O-CA 3.46Å; K47-N128 WeakPolarHBondContact O-CB 3.29Å; R126-N128 WeakPolarHBondContact CB-OD1 3.39Å; R126-N128 PolarHBondContact O-N 3.39Å; R126-N128 VanDerWaalsContact O-N 3.1Å; N128-L130 PolarHBondContact O-N 2.96Å; N128-D131 PolarHBondContact O-N 3.2Å; N128-V132 WeakPolarHBondContact O-CG2 3.46Å; N128-V132 PolarHBondContact O-N 3.23Å; N128-N218 VanDerWaalsContact CG-O 3.3Å; N128-N218 PolarHBondContact ND2-O 3.39Å; N128-N218 VanDerWaalsContact ND2-O 3.14Å
129F95.3Very high92.9Very high0 Ų051.8 Ų51.80%026%0.264CS..Hα-helixtrans-58.5-49.4-174179.8-100.9000113Y38 I45 L125 R126 D131 V132 C133 F149 P159 R160Y38-F129 HydrophobicContact CD1-CE1 4.26Å; Y38-F129 HydrophobicContact CE1-CE1 4.06Å; I45-F129 HydrophobicContact CB-CB 4.14Å; I45-F129 HydrophobicContact CD1-CD1 4.45Å; I45-F129 PolarHBondContact O-N 2.98Å; L125-F129 HydrophobicContact CB-CB 4.11Å; L125-F129 HydrophobicContact CB-CD2 4.13Å; L125-F129 HydrophobicContact CB-CG 4Å; L125-F129 HydrophobicContact CD1-CD1 3.89Å; L125-F129 HydrophobicContact CD1-CE1 3.99Å; L125-F129 HydrophobicContact CD1-CG 4.2Å; L125-F129 HydrophobicContact CD1-CZ 4.4Å; L125-F129 HydrophobicContact CD2-CD2 3.85Å; L125-F129 HydrophobicContact CD2-CE1 4.33Å; L125-F129 HydrophobicContact CD2-CE2 3.69Å; L125-F129 HydrophobicContact CD2-CG 4.28Å; L125-F129 HydrophobicContact CD2-CZ 3.92Å; L125-F129 HydrophobicContact CG-CD2 4.39Å; L125-F129 HydrophobicContact CG-CG 4.38Å; R126-F129 WeakPolarHBondContact O-CB 3.4Å; R126-F129 PolarHBondContact O-N 2.89Å; F129-D131 VanDerWaalsContact C-N 3.35Å; F129-D131 PolarHBondContact O-N 2.95Å; F129-V132 PolarHBondContact O-N 3.21Å; F129-C133 HydrophobicContact CE1-CB 4.16Å; F129-C133 HydrophobicContact CE2-CB 4.27Å; F129-C133 HydrophobicContact CZ-CB 4.03Å; F129-C133 WeakPolarHBondContact O-CB 3.35Å; F129-C133 PolarHBondContact O-N 2.91Å; F129-F149 AromaticContact CE1-CE2 3.63Å; F129-F149 HydrophobicContact CE1-CE2 3.63Å; F129-F149 AromaticContact CE1-CZ 3.61Å; F129-F149 HydrophobicContact CE1-CZ 3.61Å; F129-F149 AromaticContact CZ-CE2 3.45Å; F129-F149 HydrophobicContact CZ-CE2 3.45Å; F129-F149 VanDerWaalsContact CZ-CE2 3.45Å; F129-F149 AromaticContact CZ-CZ 3.5Å; F129-F149 HydrophobicContact CZ-CZ 3.5Å; F129-P159 HydrophobicContact CD2-CB 3.45Å; F129-P159 VanDerWaalsContact CD2-CB 3.45Å; F129-P159 HydrophobicContact CE2-CB 3.95Å; F129-P159 HydrophobicContact CG-CB 4.46Å; F129-R160 HydrophobicContact CE2-CG 3.76Å
130L93.8Very high92.5Very high35 Ų3553.9 Ų53.918%0.18328%0.279CS..Hα-helixtrans-67.6-35.6-174.8-63.1-177.5000112.6Y38 I45 K46 N128 K134 P135Y38-L130 HydrophobicContact CD2-CD2 4.41Å; Y38-L130 HydrophobicContact CE1-CD2 4.29Å; Y38-L130 HydrophobicContact CE2-CD2 3.74Å; I45-L130 HydrophobicContact CD1-CD1 4.3Å; I45-L130 HydrophobicContact CD1-CD2 4.17Å; I45-L130 HydrophobicContact CD1-CG 4.08Å; I45-L130 HydrophobicContact CG1-CD1 4.19Å; I45-L130 HydrophobicContact CG1-CG 4.15Å; I45-L130 PolarHBondContact O-N 3.25Å; K46-L130 HydrophobicContact CG-CD1 3.6Å; N128-L130 PolarHBondContact O-N 2.96Å; L130-K134 WeakPolarHBondContact O-CA 3.26Å; L130-K134 PolarHBondContact O-N 2.89Å; L130-P135 HydrophobicContact CD2-CG 3.95Å
131D93.2Very high92.3Very high69 Ų6956.2 Ų56.237%0.36929%0.293SS..Hα-helixtrans-67.7-36.2178.5-169.535.6000112.2F49 N128 F129 K134F49-D131 VanDerWaalsContact CB-OD2 3.28Å; F49-D131 WeakPolarHBondContact CB-OD2 3.18Å; F49-D131 PolarHBondContact N-OD2 3.49Å; N128-D131 PolarHBondContact O-N 3.2Å; F129-D131 VanDerWaalsContact C-N 3.35Å; F129-D131 PolarHBondContact O-N 2.95Å; D131-K134 WeakPolarHBondContact O-CE 3.37Å; D131-K134 WeakPolarHBondContact O-CG 3.45Å
132V92.9Very high92Very high36 Ų3659.8 Ų59.822%0.21831%0.312CS..Hα-helixtrans-82.7-42.9178.5-178.90000112.5F49 N128 F129 S153 P159F49-V132 HydrophobicContact CB-CG2 4.16Å; F49-V132 HydrophobicContact CD2-CG2 3.47Å; F49-V132 VanDerWaalsContact CD2-CG2 3.47Å; F49-V132 HydrophobicContact CE2-CG2 4.21Å; F49-V132 HydrophobicContact CG-CG2 4.15Å; N128-V132 WeakPolarHBondContact O-CG2 3.46Å; N128-V132 PolarHBondContact O-N 3.23Å; F129-V132 PolarHBondContact O-N 3.21Å; V132-S153 PolarHBondContact O-OG 3.05Å; V132-P159 HydrophobicContact CB-CG 3.9Å; V132-P159 HydrophobicContact CG1-CG 3.51Å
133C92.4Very high91.8Very high0 Ų061.3 Ų61.30%032%0.322CS..Hα-helixtrans-74.5-38.8-176.6171.50000111.9F129 C151 S152F129-C133 HydrophobicContact CE1-CB 4.16Å; F129-C133 HydrophobicContact CE2-CB 4.27Å; F129-C133 HydrophobicContact CZ-CB 4.03Å; F129-C133 WeakPolarHBondContact O-CB 3.35Å; F129-C133 PolarHBondContact O-N 2.91Å; C133-C151 HydrophobicContact CB-CB 3.96Å; C133-C151 WeakPolarHBondContact CB-SG 3.32Å; C133-C151 CarbonylContact O-C 3.24Å; C133-C151 VanDerWaalsContact O-CA 3.26Å; C133-C151 WeakPolarHBondContact O-CA 3.42Å; C133-C151 WeakPolarHBondContact O-CB 3.11Å; C133-C151 WeakPolarHBondContact SG-CA 3.18Å; C133-C151 WeakPolarHBondContact SG-CB 3.29Å; C133-C151 CovalentContact SG-SG 2.04Å; C133-C151 PolarHBondContact SG-SG 2.91Å; C133-S152 PolarHBondContact O-N 3.48Å
134K91.6Very high91.6Very high136 Ų13661.8 Ų61.859%0.59133%0.327SS*.  trans4567.3-171.6-60.9-176-179.9-178.30111.1L130 D131L130-K134 WeakPolarHBondContact O-CA 3.26Å; L130-K134 PolarHBondContact O-N 2.89Å; D131-K134 WeakPolarHBondContact O-CE 3.37Å; D131-K134 WeakPolarHBondContact O-CG 3.45Å
135P89.9Confident91.5Very high32 Ų3262.2 Ų62.221%0.20833%0.331CS..EExtended strand (participates in β ladder)trans-66.3139.5-169.628.3-34.6000111.4Y38 L130 L138 F149 T150Y38-P135 VanDerWaalsContact OH-CG 3.24Å; Y38-P135 WeakPolarHBondContact OH-CG 3.34Å; L130-P135 HydrophobicContact CD2-CG 3.95Å; P135-L138 HydrophobicContact CB-CD2 3.98Å; P135-L138 HydrophobicContact CG-CD2 4.3Å; P135-F149 HydrophobicContact CB-CB 4.3Å; P135-F149 HydrophobicContact CB-CD2 3.84Å; P135-F149 HydrophobicContact CB-CG 4.37Å; P135-T150 WeakPolarHBondContact CA-O 3.23Å
136S87.6Confident91.4Very high53 Ų5361.8 Ų61.837%0.37133%0.329SS..EExtended strand (participates in β ladder)trans-125.3164.4174.767.60000110.5T150S136-T150 PolarHBondContact N-O 2.93Å; S136-T150 PolarHBondContact O-N 2.91Å; S136-T150 PolarHBondContact O-OG1 2.74Å; S136-T150 PolarHBondContact OG-OG1 2.88Å; S136-T150 VanDerWaalsContact OG-OG1 3.08Å
137N83.3Confident91.1Very high129 Ų12961 Ų6169%0.6934%0.337SS*.SBendtrans57.950.8-176.9-56.2-45.4000112.9Q139N137-Q139 PolarHBondContact O-N 2.99Å
138L83.6Confident90.5Very high80 Ų8067 Ų6742%0.41937%0.369SS..  trans-69.8111.1-178.9-61.4173.2000110.2Y38 P135 T140 V146 F149Y38-L138 WeakPolarHBondContact OH-CD2 3.4Å; P135-L138 HydrophobicContact CB-CD2 3.98Å; P135-L138 HydrophobicContact CG-CD2 4.3Å; L138-T140 HydrophobicContact CB-CG2 4.4Å; L138-V146 HydrophobicContact CD2-CG1 3.76Å; L138-V146 HydrophobicContact CD2-CG2 4.16Å; L138-F149 HydrophobicContact CD2-CB 4.16Å
139Q86.3Confident90.2Very high146 Ų14668.2 Ų68.268%0.68237%0.374SS*.  trans-94.6114.5164.4-68.7-170.6-8.700108.9N137N137-Q139 PolarHBondContact O-N 2.99Å
140T88.9Confident89.9Confident71 Ų7171.6 Ų71.644%0.43640%0.395SS..BIsolated β-bridgetrans-111.1135.9-173.956.70000110.6I40 L138 F145 V146I40-T140 HydrophobicContact CD1-CG2 3.28Å; I40-T140 HydrophobicContact CG1-CG2 4.04Å; L138-T140 HydrophobicContact CB-CG2 4.4Å; T140-F145 CarbonylContact C-O 3.32Å; T140-F145 WeakPolarHBondContact CA-O 3.39Å; T140-V146 HydrophobicContact CG2-CG2 3.68Å
141T91.1Very high89.7Confident73 Ų7371.3 Ų71.345%0.44840%0.395SS..  trans-66.9168.716671.20000110.7M143 G144 F145T141-M143 PolarHBondContact O-N 3.48Å; T141-M143 VanDerWaalsContact O-N 3.11Å; T141-M143 PolarHBondContact OG1-N 3.28Å; T141-G144 PolarHBondContact O-N 2.88Å; T141-F145 HydrophobicContact CG2-CB 4.12Å; T141-F145 HydrophobicContact CG2-CD1 4.35Å; T141-F145 PolarHBondContact N-O 3.34Å; T141-F145 WeakPolarHBondContact OG1-CB 3.46Å; T141-F145 PolarHBondContact OG1-N 3.48Å
142V90.6Very high89.4Confident152 Ų15272.7 Ų72.792%0.92141%0.41SS*.THydrogen-bonded Turntrans-53.9-32.5175.7-176.40000112.1G144V142-G144 VanDerWaalsContact C-N 3.28Å; V142-G144 PolarHBondContact O-N 3.12Å
143M91.6Very high88.7Confident149 Ų14972.6 Ų72.673%0.73441%0.411SS*.THydrogen-bonded Turntrans-86.28.1178.2-60.9-57.2-64.100113.6T141T141-M143 PolarHBondContact O-N 3.48Å; T141-M143 VanDerWaalsContact O-N 3.11Å; T141-M143 PolarHBondContact OG1-N 3.28Å
144G91.2Very high87.5Confident9 Ų980.8 Ų80.89%0.09346%0.455CS..  trans76.520.317900000114.9F39 I40 T141 V142F39-G144 WeakPolarHBondContact CA-O 3.17Å; I40-G144 WeakPolarHBondContact CG1-O 3.5Å; I40-G144 PolarHBondContact N-O 3.14Å; I40-G144 VanDerWaalsContact N-O 3.07Å; T141-G144 PolarHBondContact O-N 2.88Å; V142-G144 VanDerWaalsContact C-N 3.28Å; V142-G144 PolarHBondContact O-N 3.12Å
145F94.3Very high86.4Confident71 Ų7182.2 Ų82.231%0.31146%0.461SS..EExtended strand (participates in β ladder)trans-82.8128.6174.3-177.2-100.8000110.8F39 T140 T141F39-F145 HydrophobicContact CD1-CB 3.95Å; F39-F145 HydrophobicContact CD1-CD2 4.2Å; F39-F145 HydrophobicContact CD2-CD2 4.17Å; F39-F145 HydrophobicContact CE1-CB 3.7Å; F39-F145 AromaticContact CE1-CD2 3.97Å; F39-F145 HydrophobicContact CE1-CD2 3.97Å; F39-F145 HydrophobicContact CE1-CG 4.3Å; F39-F145 AromaticContact CE2-CD2 3.92Å; F39-F145 HydrophobicContact CE2-CD2 3.92Å; F39-F145 HydrophobicContact CG-CD2 4.3Å; F39-F145 HydrophobicContact CZ-CB 4.32Å; F39-F145 AromaticContact CZ-CD2 3.82Å; F39-F145 HydrophobicContact CZ-CD2 3.82Å; F39-F145 HydrophobicContact CZ-CG 4.47Å; T140-F145 CarbonylContact C-O 3.32Å; T140-F145 WeakPolarHBondContact CA-O 3.39Å; T141-F145 HydrophobicContact CG2-CB 4.12Å; T141-F145 HydrophobicContact CG2-CD1 4.35Å; T141-F145 PolarHBondContact N-O 3.34Å; T141-F145 WeakPolarHBondContact OG1-CB 3.46Å; T141-F145 PolarHBondContact OG1-N 3.48Å
146V93Very high85.6Confident0 Ų082.4 Ų82.40%046%0.463CS..EExtended strand (participates in β ladder)trans-101.9108.7174.9-175.30000108.4G37 Y38 I40 L138 T140 F149G37-V146 CarbonylContact C-O 3.48Å; G37-V146 WeakPolarHBondContact CA-O 3.34Å; Y38-V146 HydrophobicContact CE1-CB 4.32Å; Y38-V146 HydrophobicContact CE1-CG1 4.34Å; Y38-V146 HydrophobicContact CE2-CB 4.45Å; Y38-V146 HydrophobicContact CE2-CG2 4.28Å; Y38-V146 PolarHBondContact N-O 3.43Å; Y38-V146 PolarHBondContact O-N 3.26Å; I40-V146 HydrophobicContact CD1-CG2 4.48Å; I40-V146 HydrophobicContact CG1-CG2 3.8Å; L138-V146 HydrophobicContact CD2-CG1 3.76Å; L138-V146 HydrophobicContact CD2-CG2 4.16Å; T140-V146 HydrophobicContact CG2-CG2 3.68Å; V146-F149 HydrophobicContact CG1-CB 3.98Å; V146-F149 HydrophobicContact CG1-CD1 3.75Å; V146-F149 HydrophobicContact CG1-CG 4.22Å
147G89.5Confident85.4Confident36 Ų3682.5 Ų82.537%0.37146%0.459SS..  trans-83-56.6174.800000111.7
148D86.6Confident85.6Confident127 Ų12778.7 Ų78.768%0.67945%0.446SS*.  trans-110.6135.4-176.9-67.4-49.7000111.5
149F88.5Confident85.8Confident28 Ų2875.1 Ų75.112%0.12343%0.428CS..  trans-162156.4179.158.6-85.7000110.4Y38 F129 P135 L138 V146Y38-F149 HydrophobicContact CD1-CD1 4.43Å; Y38-F149 AromaticContact CD1-CE1 3.73Å; Y38-F149 HydrophobicContact CD1-CE1 3.73Å; Y38-F149 AromaticContact CD1-CZ 3.88Å; Y38-F149 HydrophobicContact CD1-CZ 3.88Å; Y38-F149 AromaticContact CE1-CD1 3.82Å; Y38-F149 HydrophobicContact CE1-CD1 3.82Å; Y38-F149 HydrophobicContact CE1-CD2 4.37Å; Y38-F149 AromaticContact CE1-CE1 3.45Å; Y38-F149 HydrophobicContact CE1-CE1 3.45Å; Y38-F149 VanDerWaalsContact CE1-CE1 3.45Å; Y38-F149 HydrophobicContact CE1-CE2 4.04Å; Y38-F149 HydrophobicContact CE1-CG 4.23Å; Y38-F149 AromaticContact CE1-CZ 3.53Å; Y38-F149 HydrophobicContact CE1-CZ 3.53Å; F129-F149 AromaticContact CE1-CE2 3.63Å; F129-F149 HydrophobicContact CE1-CE2 3.63Å; F129-F149 AromaticContact CE1-CZ 3.61Å; F129-F149 HydrophobicContact CE1-CZ 3.61Å; F129-F149 AromaticContact CZ-CE2 3.45Å; F129-F149 HydrophobicContact CZ-CE2 3.45Å; F129-F149 VanDerWaalsContact CZ-CE2 3.45Å; F129-F149 AromaticContact CZ-CZ 3.5Å; F129-F149 HydrophobicContact CZ-CZ 3.5Å; P135-F149 HydrophobicContact CB-CB 4.3Å; P135-F149 HydrophobicContact CB-CD2 3.84Å; P135-F149 HydrophobicContact CB-CG 4.37Å; L138-F149 HydrophobicContact CD2-CB 4.16Å; V146-F149 HydrophobicContact CG1-CB 3.98Å; V146-F149 HydrophobicContact CG1-CD1 3.75Å; V146-F149 HydrophobicContact CG1-CG 4.22Å
150T88.5Confident86.2Confident72 Ų7268.9 Ų68.944%0.44240%0.398SS..EExtended strand (participates in β ladder)trans-111129.517852.40000109.7P135 S136P135-T150 WeakPolarHBondContact CA-O 3.23Å; S136-T150 PolarHBondContact N-O 2.93Å; S136-T150 PolarHBondContact O-N 2.91Å; S136-T150 PolarHBondContact O-OG1 2.74Å; S136-T150 PolarHBondContact OG-OG1 2.88Å; S136-T150 VanDerWaalsContact OG-OG1 3.08Å
151C89.3Confident86.4Confident29 Ų2966.8 Ų66.820%0.19638%0.383CS..EExtended strand (participates in β ladder)trans-83.1139.3173.6-640000109.4C133 S153C133-C151 HydrophobicContact CB-CB 3.96Å; C133-C151 WeakPolarHBondContact CB-SG 3.32Å; C133-C151 CarbonylContact O-C 3.24Å; C133-C151 VanDerWaalsContact O-CA 3.26Å; C133-C151 WeakPolarHBondContact O-CA 3.42Å; C133-C151 WeakPolarHBondContact O-CB 3.11Å; C133-C151 WeakPolarHBondContact SG-CA 3.18Å; C133-C151 WeakPolarHBondContact SG-CB 3.29Å; C133-C151 CovalentContact SG-SG 2.04Å; C133-C151 PolarHBondContact SG-SG 2.91Å; C151-S153 PolarHBondContact O-N 2.94Å
152S87.3Confident86.6Confident97 Ų9763.3 Ų63.368%0.67836%0.361SS*.SBendtrans-67.6-23.6174175.90000112.7C133C133-S152 PolarHBondContact O-N 3.48Å
153S77.5Confident87Confident34 Ų3458.6 Ų58.624%0.23833%0.328CS..SBendtrans-102.4135178.966.20000112.4V132 C151 K155 S156V132-S153 PolarHBondContact O-OG 3.05Å; C151-S153 PolarHBondContact O-N 2.94Å; S153-K155 PolarHBondContact O-N 3.5Å; S153-K155 VanDerWaalsContact O-N 3.09Å; S153-S156 PolarHBondContact O-N 3.35Å
154D68.6Low87.3Confident172 Ų17251.7 Ų51.792%0.9230%0.295SS*.G310 helixtrans-60.6-18.4173.5-80-27000113.1S156D154-S156 PolarHBondContact O-N 3.38Å
155K68.2Low87.6Confident167 Ų16751.3 Ų51.373%0.72629%0.291SS*.G310 helixtrans-76.326.4176.9-62.6-175.8-178.8174.80113S153 N157 A158 P159S153-K155 PolarHBondContact O-N 3.5Å; S153-K155 VanDerWaalsContact O-N 3.09Å; K155-N157 PolarHBondContact O-N 3.49Å; K155-A158 PolarHBondContact O-N 3.4Å; K155-P159 WeakPolarHBondContact O-CD 3.23Å
156S71.6Confident87.8Confident35 Ų3548.3 Ų48.325%0.24528%0.28CS..G310 helixtrans-62.7-25.1-172.566.90000114.5S153 D154 R160S153-S156 PolarHBondContact O-N 3.35Å; D154-S156 PolarHBondContact O-N 3.38Å; S156-R160 WeakPolarHBondContact O-CG 3.24Å
157N84.8Confident88.1Confident55 Ų5549.5 Ų49.529%0.29429%0.285SS..G310 helixtrans-75.3-37.6-178.6-75.9-20.1000113.4S32 K155 R160S32-N157 PolarHBondContact OG-ND2 2.86Å; K155-N157 PolarHBondContact O-N 3.49Å; N157-R160 WeakPolarHBondContact O-CB 3.22Å; N157-R160 PolarHBondContact O-N 3.46Å; N157-R160 VanDerWaalsContact O-N 3.09Å
158A86Confident88.5Confident49 Ų4948 Ų4841%0.40527%0.269SS..G310 helixtrans-65.3-41.3-174.700000113.3R126 K155 R160 K161R126-A158 VanDerWaalsContact CZ-O 3.3Å; R126-A158 PolarHBondContact NE-O 3.41Å; K155-A158 PolarHBondContact O-N 3.4Å; A158-R160 PolarHBondContact O-N 3.38Å; A158-K161 PolarHBondContact O-N 3.32Å
159P89.4Confident89.1Confident6 Ų642 Ų424%0.03924%0.237CC..G310 helixtrans-63-14.7172-26.337.3000115R126 F129 V132 K155R126-P159 WeakPolarHBondContact CB-O 3.25Å; R126-P159 WeakPolarHBondContact CG-O 3.35Å; R126-P159 PolarHBondContact N-O 2.9Å; F129-P159 HydrophobicContact CD2-CB 3.45Å; F129-P159 VanDerWaalsContact CD2-CB 3.45Å; F129-P159 HydrophobicContact CE2-CB 3.95Å; F129-P159 HydrophobicContact CG-CB 4.46Å; V132-P159 HydrophobicContact CB-CG 3.9Å; V132-P159 HydrophobicContact CG1-CG 3.51Å; K155-P159 WeakPolarHBondContact O-CD 3.23Å
160R93.6Very high89.6Confident14 Ų1440.7 Ų40.75%0.05323%0.232CC..G310 helixtrans-93.11.9176.9-62.2-179.8175.2-8710113.9P33 R36 G123 R124 L125 F129 S156 N157 A158P33-R160 HydrophobicContact CB-CB 4.35Å; P33-R160 HydrophobicContact CG-CB 3.58Å; R36-R160 PolarHBondContact O-NH1 2.97Å; G123-R160 CarbonylContact C-O 3.57Å; G123-R160 WeakPolarHBondContact CA-O 3.49Å; R124-R160 CarbonylContact O-C 3.56Å; R124-R160 VanDerWaalsContact O-C 3.24Å; L125-R160 HydrophobicContact CD2-CB 4.44Å; L125-R160 HydrophobicContact CD2-CG 3.84Å; F129-R160 HydrophobicContact CE2-CG 3.76Å; S156-R160 WeakPolarHBondContact O-CG 3.24Å; N157-R160 WeakPolarHBondContact O-CB 3.22Å; N157-R160 PolarHBondContact O-N 3.46Å; N157-R160 VanDerWaalsContact O-N 3.09Å; A158-R160 PolarHBondContact O-N 3.38Å
161K93.9Very high90Very high27 Ų2737.7 Ų37.712%0.11721%0.214CC..  trans-108.569.8179.3-66.6-170.4-177.9-168.80110Q29 V31 P33 K119 R126 A158Q29-K161 PolarHBondContact O-NZ 3.2Å; V31-K161 WeakPolarHBondContact O-CE 3.2Å; V31-K161 PolarHBondContact O-NZ 3.36Å; P33-K161 HydrophobicContact CB-CG 4.1Å; P33-K161 HydrophobicContact CG-CG 4.02Å; K119-K161 HydrophobicContact CB-CB 4.02Å; K119-K161 HydrophobicContact CB-CD 4.41Å; K119-K161 HydrophobicContact CB-CG 4.13Å; K119-K161 HydrophobicContact CD-CB 4.11Å; K119-K161 HydrophobicContact CG-CB 4.18Å; R126-K161 PolarHBondContact NE-O 2.88Å; R126-K161 VanDerWaalsContact NE-O 3.1Å; R126-K161 PolarHBondContact NH2-O 3.37Å; A158-K161 PolarHBondContact O-N 3.32Å
162S95.8Very high90.5Very high0 Ų037.4 Ų37.40%021%0.21CC..  trans-95.5-45.2-179.7-1540000114.3R124 L125 P164 H220 D224R124-S162 WeakPolarHBondContact O-CB 3.36Å; R124-S162 PolarHBondContact O-N 2.96Å; L125-S162 WeakPolarHBondContact O-CB 3.22Å; S162-P164 CarbonylContact O-C 3.6Å; S162-H220 PolarHBondContact O-CE1 3.04Å; S162-H220 PolarHBondContact O-ND1 3.46Å; S162-D224 WeakPolarHBondContact CB-OD2 3.41Å; S162-D224 WeakPolarHBondContact O-CB 3.32Å; S162-D224 PolarHBondContact OG-OD2 3.03Å
163F97.6Very high91Very high53 Ų5332.8 Ų32.823%0.23218%0.178CC..SBendtrans-109.8132.5-173.4-175.3-88.3000112.2G118 K119 F122 R124 D224G118-F163 CarbonylContact C-O 3.53Å; G118-F163 VanDerWaalsContact C-O 3.32Å; K119-F163 WeakPolarHBondContact CA-O 3.25Å; K119-F163 PolarHBondContact N-O 2.94Å; F122-F163 HydrophobicContact CB-CD1 4.44Å; F122-F163 AromaticContact CD2-CD1 3.37Å; F122-F163 HydrophobicContact CD2-CD1 3.37Å; F122-F163 AromaticContact CD2-CE1 3.81Å; F122-F163 HydrophobicContact CD2-CE1 3.81Å; F122-F163 AromaticContact CE2-CD1 3.64Å; F122-F163 HydrophobicContact CE2-CD1 3.64Å; F122-F163 AromaticContact CE2-CE1 3.54Å; F122-F163 HydrophobicContact CE2-CE1 3.54Å; F122-F163 AromaticContact CG-CD1 3.91Å; F122-F163 HydrophobicContact CG-CD1 3.91Å; F122-F163 HydrophobicContact CZ-CD1 4.37Å; F122-F163 HydrophobicContact CZ-CE1 4.04Å; R124-F163 HydrophobicContact CB-CB 3.98Å; F163-D224 WeakPolarHBondContact CB-OD1 3.39Å; F163-D224 HydrophobicContact CD2-CB 4.33Å; F163-D224 VanDerWaalsContact CD2-OD1 3.3Å; F163-D224 WeakPolarHBondContact CD2-OD1 3.24Å
164P98.4Very high92Very high5 Ų531.5 Ų31.53%0.03217%0.169CC..SBendcis-79.6169.1-12.531.9-33.2000112.8T115 K119 S162 G166 L231T115-P164 HydrophobicContact CG2-CG 3.9Å; K119-P164 WeakPolarHBondContact CE-O 3.34Å; S162-P164 CarbonylContact O-C 3.6Å; P164-G166 PolarHBondContact O-N 3.43Å; P164-L231 HydrophobicContact CG-CD1 4.01Å
165S98.4Very high93.5Very high0 Ų023.5 Ų23.50%013%0.126CC..  trans-70.6110.1176.7173.40000111.7H167 T168 S169 D224S165-H167 PolarHBondContact O-N 3.02Å; S165-T168 WeakPolarHBondContact CB-OG1 3.46Å; S165-T168 PolarHBondContact O-N 3.14Å; S165-T168 WeakPolarHBondContact OG-CB 3.27Å; S165-T168 PolarHBondContact OG-N 3.31Å; S165-T168 PolarHBondContact OG-OG1 3.28Å; S165-S169 WeakPolarHBondContact O-CB 3.39Å; S165-S169 PolarHBondContact O-N 3.49Å; S165-S169 PolarHBondContact O-OG 2.99Å; S165-D224 VanDerWaalsContact CB-O 3.26Å; S165-D224 WeakPolarHBondContact CB-O 3.28Å; S165-D224 PolarHBondContact N-O 2.86Å
166G97.9Very high94.9Very high9 Ų916.9 Ų16.99%0.09310%0.099CC..Hα-helixtrans-61.5-39.7176.900000113.8T115 P164 T168 S169 I170T115-G166 VanDerWaalsContact CG2-CA 3.43Å; P164-G166 PolarHBondContact O-N 3.43Å; G166-T168 PolarHBondContact O-N 3.44Å; G166-S169 WeakPolarHBondContact CA-OG 3.46Å; G166-S169 PolarHBondContact O-N 2.67Å; G166-S169 PolarHBondContact O-OG 3.42Å; G166-I170 PolarHBondContact O-N 2.77Å
167H98.2Very high96.2Very high24 Ų2415.3 Ų15.311%0.1119%0.087CC..Hα-helixtrans-65.4-42.6179-73.878000111.8S56 L59 S165 A171 V210 R214S56-H167 PolarHBondContact OG-CE1 3.03Å; S56-H167 PolarHBondContact OG-NE2 3.04Å; L59-H167 HydrophobicContact CD2-CB 3.91Å; L59-H167 VanDerWaalsContact CD2-CD2 3.41Å; L59-H167 WeakPolarHBondContact CD2-CD2 3.49Å; S165-H167 PolarHBondContact O-N 3.02Å; H167-A171 VanDerWaalsContact O-CB 3.29Å; H167-A171 WeakPolarHBondContact O-CB 3.36Å; H167-A171 PolarHBondContact O-N 2.98Å; H167-V210 HydrophobicContact CB-CG1 3.8Å; H167-R214 HydrophobicContact CB-CG 4.02Å; H167-R214 PolarHBondContact CD2-NH1 3.33Å; H167-R214 PolarHBondContact CE1-NH1 2.93Å; H167-R214 VanDerWaalsContact CE1-NH1 3.33Å; H167-R214 PolarHBondContact ND1-NH1 2.9Å; H167-R214 PolarHBondContact NE2-NH1 3.4Å
168T98.7Very high96.8Very high4 Ų412.7 Ų12.73%0.0257%0.073CC..Hα-helixtrans-68.6-41.9178.9-47.60000111.2S165 G166 I170 A171 I172 V225S165-T168 WeakPolarHBondContact CB-OG1 3.46Å; S165-T168 PolarHBondContact O-N 3.14Å; S165-T168 WeakPolarHBondContact OG-CB 3.27Å; S165-T168 PolarHBondContact OG-N 3.31Å; S165-T168 PolarHBondContact OG-OG1 3.28Å; G166-T168 PolarHBondContact O-N 3.44Å; T168-I170 VanDerWaalsContact C-N 3.35Å; T168-I170 PolarHBondContact O-N 3.34Å; T168-A171 PolarHBondContact O-N 3.32Å; T168-I172 HydrophobicContact CG2-CG1 3.9Å; T168-I172 WeakPolarHBondContact O-CB 3.48Å; T168-I172 VanDerWaalsContact O-CG1 3.31Å; T168-I172 WeakPolarHBondContact O-CG1 3.29Å; T168-I172 PolarHBondContact O-N 3.02Å; T168-V225 HydrophobicContact CG2-CG1 3.81Å; T168-V225 WeakPolarHBondContact CG2-O 3.31Å
169S98.7Very high97.3Very high1 Ų111 Ų111%0.0076%0.058CC..Hα-helixtrans-56.8-47.5178.765.80000112.7T115 S165 G166 Y173 G228 G232T115-S169 WeakPolarHBondContact OG1-CB 3.49Å; T115-S169 PolarHBondContact OG1-OG 2.95Å; T115-S169 VanDerWaalsContact OG1-OG 3.04Å; S165-S169 WeakPolarHBondContact O-CB 3.39Å; S165-S169 PolarHBondContact O-N 3.49Å; S165-S169 PolarHBondContact O-OG 2.99Å; G166-S169 WeakPolarHBondContact CA-OG 3.46Å; G166-S169 PolarHBondContact O-N 2.67Å; G166-S169 PolarHBondContact O-OG 3.42Å; S169-Y173 WeakPolarHBondContact O-CB 3.46Å; S169-Y173 PolarHBondContact O-N 2.89Å; S169-G228 WeakPolarHBondContact CA-O 3.46Å; S169-G228 WeakPolarHBondContact CB-O 3.19Å; S169-G232 WeakPolarHBondContact O-CA 3.48Å
170I98.6Very high97.5Very high2 Ų212.3 Ų12.31%0.017%0.065CC..Hα-helixtrans-69.8-43.5179.2-65.9-65.8000111.5L59 Y108 T111 I112 G166 T168 I172 Y173 T174L59-I170 HydrophobicContact CD1-CG2 4.38Å; L59-I170 HydrophobicContact CD2-CB 4.24Å; L59-I170 HydrophobicContact CD2-CG2 4.32Å; L59-I170 HydrophobicContact CG-CG2 4.31Å; Y108-I170 HydrophobicContact CD1-CD1 4.41Å; Y108-I170 HydrophobicContact CD2-CG2 4.37Å; Y108-I170 HydrophobicContact CE1-CD1 4.29Å; Y108-I170 HydrophobicContact CE1-CG2 4.44Å; Y108-I170 HydrophobicContact CE2-CD1 4.41Å; Y108-I170 HydrophobicContact CE2-CG2 3.46Å; Y108-I170 VanDerWaalsContact CE2-CG2 3.46Å; Y108-I170 WeakPolarHBondContact OH-CG2 3.44Å; T111-I170 HydrophobicContact CG2-CD1 3.68Å; T111-I170 HydrophobicContact CG2-CG1 4.35Å; I112-I170 HydrophobicContact CD1-CD1 4.28Å; I112-I170 HydrophobicContact CG1-CD1 3.43Å; I112-I170 VanDerWaalsContact CG1-CD1 3.43Å; I112-I170 HydrophobicContact CG1-CG1 4.19Å; G166-I170 PolarHBondContact O-N 2.77Å; T168-I170 VanDerWaalsContact C-N 3.35Å; T168-I170 PolarHBondContact O-N 3.34Å; I170-I172 PolarHBondContact O-N 3.5Å; I170-Y173 PolarHBondContact O-N 3.49Å; I170-T174 WeakPolarHBondContact O-CB 3.25Å; I170-T174 PolarHBondContact O-N 3.36Å; I170-T174 PolarHBondContact O-OG1 3.23Å; I170-T174 VanDerWaalsContact O-OG1 3.08Å
171A98.8Very high97.5Very high9 Ų911.7 Ų11.77%0.0746%0.063CC..Hα-helixtrans-64.7-41.7-179.300000112.2L59 H167 T168 A175 V210L59-A171 HydrophobicContact CD1-CB 4.12Å; H167-A171 VanDerWaalsContact O-CB 3.29Å; H167-A171 WeakPolarHBondContact O-CB 3.36Å; H167-A171 PolarHBondContact O-N 2.98Å; T168-A171 PolarHBondContact O-N 3.32Å; A171-A175 VanDerWaalsContact O-CB 3.29Å; A171-A175 WeakPolarHBondContact O-CB 3.4Å; A171-A175 PolarHBondContact O-N 3.44Å; A171-V210 HydrophobicContact CB-CB 3.66Å; A171-V210 HydrophobicContact CB-CG1 3.77Å; A171-V210 HydrophobicContact CB-CG2 3.85Å
172I98.7Very high97.5Very high23 Ų2310.5 Ų10.512%0.1186%0.057CC..Hα-helixtrans-72.4-40.3176.8-62.3-63.1000111.2T168 I170 T174 A175 I176 G229 F233T168-I172 HydrophobicContact CG2-CG1 3.9Å; T168-I172 WeakPolarHBondContact O-CB 3.48Å; T168-I172 VanDerWaalsContact O-CG1 3.31Å; T168-I172 WeakPolarHBondContact O-CG1 3.29Å; T168-I172 PolarHBondContact O-N 3.02Å; I170-I172 PolarHBondContact O-N 3.5Å; I172-T174 PolarHBondContact O-N 3.15Å; I172-A175 PolarHBondContact O-N 3.43Å; I172-I176 HydrophobicContact CG2-CG1 3.91Å; I172-I176 WeakPolarHBondContact O-CB 3.36Å; I172-I176 VanDerWaalsContact O-CG1 3.22Å; I172-I176 WeakPolarHBondContact O-CG1 3.4Å; I172-I176 PolarHBondContact O-N 3.43Å; I172-G229 WeakPolarHBondContact CG2-O 3.37Å; I172-F233 HydrophobicContact CG2-CB 4.22Å
173Y98.8Very high97.3Very high0 Ų014.4 Ų14.40%08%0.076CC..Hα-helixtrans-53.7-54.1171.4168-97.9000110.9A104 G107 Y108 T111 S169 I170 A175 I176 F177 G232 V235 A236 T239A104-Y173 WeakPolarHBondContact CA-OH 3.26Å; A104-Y173 PolarHBondContact O-OH 3.04Å; G107-Y173 WeakPolarHBondContact CA-OH 3.35Å; Y108-Y173 VanDerWaalsContact CA-CE1 3.49Å; Y108-Y173 AromaticContact CD2-CD1 3.88Å; Y108-Y173 HydrophobicContact CD2-CD1 3.88Å; Y108-Y173 AromaticContact CD2-CE1 3.87Å; Y108-Y173 HydrophobicContact CD2-CE1 3.87Å; Y108-Y173 HydrophobicContact CG-CD1 4.49Å; Y108-Y173 HydrophobicContact CG-CE1 4.29Å; Y108-Y173 VanDerWaalsContact N-CZ 3.34Å; Y108-Y173 PolarHBondContact N-OH 3.33Å; T111-Y173 WeakPolarHBondContact OG1-CD2 3.38Å; S169-Y173 WeakPolarHBondContact O-CB 3.46Å; S169-Y173 PolarHBondContact O-N 2.89Å; I170-Y173 PolarHBondContact O-N 3.49Å; Y173-A175 VanDerWaalsContact C-N 3.34Å; Y173-A175 PolarHBondContact O-N 3.34Å; Y173-I176 PolarHBondContact O-N 3.04Å; Y173-F177 HydrophobicContact CE2-CB 4.39Å; Y173-F177 WeakPolarHBondContact O-CB 3.34Å; Y173-F177 PolarHBondContact O-N 3.39Å; Y173-G232 WeakPolarHBondContact CA-O 3.4Å; Y173-V235 HydrophobicContact CD2-CB 4.26Å; Y173-V235 HydrophobicContact CD2-CG1 3.96Å; Y173-V235 HydrophobicContact CE2-CG1 4.03Å; Y173-A236 HydrophobicContact CD2-CB 3.83Å; Y173-A236 HydrophobicContact CE2-CB 4.13Å; Y173-T239 HydrophobicContact CE2-CG2 4.19Å
174T98.6Very high96.8Very high6 Ų613.7 Ų13.74%0.0377%0.074CC..Hα-helixtrans-58.8-46.1179.2-65.10000111.4I67 I170 I172 L178I67-T174 HydrophobicContact CD1-CG2 4.08Å; I67-T174 HydrophobicContact CG1-CG2 3.85Å; I170-T174 WeakPolarHBondContact O-CB 3.25Å; I170-T174 PolarHBondContact O-N 3.36Å; I170-T174 PolarHBondContact O-OG1 3.23Å; I170-T174 VanDerWaalsContact O-OG1 3.08Å; I172-T174 PolarHBondContact O-N 3.15Å; T174-L178 HydrophobicContact CG2-CD1 3.94Å; T174-L178 HydrophobicContact CG2-CG 4.46Å; T174-L178 WeakPolarHBondContact O-CB 3.45Å; T174-L178 VanDerWaalsContact O-CG 3.25Å; T174-L178 WeakPolarHBondContact O-CG 3.43Å; T174-L178 PolarHBondContact O-N 3.47Å
175A98.6Very high96.3Very high4 Ų414.6 Ų14.63%0.0338%0.077CC..Hα-helixtrans-60.3-51.4-179.900000112.1A171 I172 Y173 L178 C179 Y203A171-A175 VanDerWaalsContact O-CB 3.29Å; A171-A175 WeakPolarHBondContact O-CB 3.4Å; A171-A175 PolarHBondContact O-N 3.44Å; I172-A175 PolarHBondContact O-N 3.43Å; Y173-A175 VanDerWaalsContact C-N 3.34Å; Y173-A175 PolarHBondContact O-N 3.34Å; A175-L178 PolarHBondContact O-N 3.01Å; A175-C179 WeakPolarHBondContact O-CB 3.36Å; A175-C179 PolarHBondContact O-N 3.4Å; A175-C179 PolarHBondContact O-SG 3.04Å; A175-Y203 WeakPolarHBondContact CB-O 3.29Å
176I98.2Very high95.7Very high29 Ų2915.3 Ų15.315%0.1498%0.08CC..Hα-helixtrans-69.1-42.5-176.5-61.1-65.1000110.9I172 Y173 L178 C179 L180 F233 A236I172-I176 HydrophobicContact CG2-CG1 3.91Å; I172-I176 WeakPolarHBondContact O-CB 3.36Å; I172-I176 VanDerWaalsContact O-CG1 3.22Å; I172-I176 WeakPolarHBondContact O-CG1 3.4Å; I172-I176 PolarHBondContact O-N 3.43Å; Y173-I176 PolarHBondContact O-N 3.04Å; I176-L178 VanDerWaalsContact C-N 3.32Å; I176-L178 PolarHBondContact O-N 3.43Å; I176-C179 WeakPolarHBondContact O-CB 3.49Å; I176-C179 PolarHBondContact O-N 2.88Å; I176-L180 HydrophobicContact CG2-CD1 3.96Å; I176-L180 HydrophobicContact CG2-CG 4.33Å; I176-L180 VanDerWaalsContact O-CG 3.27Å; I176-L180 WeakPolarHBondContact O-CG 3.2Å; I176-L180 PolarHBondContact O-N 3.17Å; I176-F233 HydrophobicContact CD1-CD2 3.92Å; I176-F233 HydrophobicContact CD1-CE2 4.36Å; I176-F233 HydrophobicContact CG1-CD2 3.93Å; I176-F233 HydrophobicContact CG2-CD2 4.12Å; I176-F233 HydrophobicContact CG2-CE2 4.48Å; I176-A236 HydrophobicContact CB-CB 3.77Å; I176-A236 HydrophobicContact CG2-CB 3.61Å
177F98Very high94.9Very high1 Ų117.6 Ų17.60%0.00410%0.095CC..Hα-helixtrans-56.7-47.3175.3178.7-89.7000111.3I71 V103 A104 Y173 C179 L180 Y181 A236 L243I71-F177 HydrophobicContact CD1-CE1 4.2Å; V103-F177 HydrophobicContact CG1-CE2 4.18Å; A104-F177 HydrophobicContact CB-CD1 4.23Å; A104-F177 HydrophobicContact CB-CE1 3.51Å; A104-F177 HydrophobicContact CB-CE2 4.17Å; A104-F177 HydrophobicContact CB-CZ 3.47Å; A104-F177 VanDerWaalsContact CB-CZ 3.47Å; Y173-F177 HydrophobicContact CE2-CB 4.39Å; Y173-F177 WeakPolarHBondContact O-CB 3.34Å; Y173-F177 PolarHBondContact O-N 3.39Å; F177-C179 PolarHBondContact O-N 2.82Å; F177-L180 PolarHBondContact O-N 2.94Å; F177-Y181 WeakPolarHBondContact O-CB 3.32Å; F177-Y181 PolarHBondContact O-N 2.99Å; F177-A236 HydrophobicContact CB-CB 4.37Å; F177-L243 HydrophobicContact CE2-CD2 4.26Å; F177-L243 HydrophobicContact CZ-CD2 4.09Å
178L97.5Very high93.7Very high0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-65.8-38177.6-72.7179.7000112.5L66 I67 T70 T174 A175 I176 L180 Y181 I182 Y203L66-L178 HydrophobicContact CB-CD1 4.05Å; I67-L178 HydrophobicContact CG1-CD2 4.42Å; I67-L178 HydrophobicContact CG1-CG 4.47Å; T70-L178 HydrophobicContact CG2-CD2 3.81Å; T174-L178 HydrophobicContact CG2-CD1 3.94Å; T174-L178 HydrophobicContact CG2-CG 4.46Å; T174-L178 WeakPolarHBondContact O-CB 3.45Å; T174-L178 VanDerWaalsContact O-CG 3.25Å; T174-L178 WeakPolarHBondContact O-CG 3.43Å; T174-L178 PolarHBondContact O-N 3.47Å; A175-L178 PolarHBondContact O-N 3.01Å; I176-L178 VanDerWaalsContact C-N 3.32Å; I176-L178 PolarHBondContact O-N 3.43Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L178-Y181 PolarHBondContact O-N 2.91Å; L178-I182 WeakPolarHBondContact O-CB 3.44Å; L178-I182 WeakPolarHBondContact O-CG1 3.39Å; L178-I182 PolarHBondContact O-N 3.41Å; L178-Y203 HydrophobicContact CB-CD2 3.51Å; L178-Y203 HydrophobicContact CB-CE2 3.64Å; L178-Y203 HydrophobicContact CB-CG 4.25Å; L178-Y203 HydrophobicContact CD1-CD1 4.24Å; L178-Y203 HydrophobicContact CD1-CD2 4.11Å; L178-Y203 HydrophobicContact CD1-CE1 4.13Å; L178-Y203 HydrophobicContact CD1-CE2 3.93Å; L178-Y203 HydrophobicContact CD1-CG 4.26Å; L178-Y203 HydrophobicContact CG-CD2 4.46Å; L178-Y203 HydrophobicContact CG-CE2 4.34Å
179C96.6Very high92.4Very high13 Ų1327.2 Ų27.29%0.08813%0.132CC..Hα-helixtrans-60.6-44.5174.4-72.10000112.1A175 I176 F177 Q183 Q200A175-C179 WeakPolarHBondContact O-CB 3.36Å; A175-C179 PolarHBondContact O-N 3.4Å; A175-C179 PolarHBondContact O-SG 3.04Å; I176-C179 WeakPolarHBondContact O-CB 3.49Å; I176-C179 PolarHBondContact O-N 2.88Å; F177-C179 PolarHBondContact O-N 2.82Å; C179-Q183 WeakPolarHBondContact O-CB 3.41Å; C179-Q183 PolarHBondContact O-N 3.36Å; C179-Q200 HydrophobicContact CB-CB 4.45Å; C179-Q200 HydrophobicContact CB-CG 3.95Å; C179-Q200 PolarHBondContact O-NE2 3.46Å; C179-Q200 VanDerWaalsContact SG-CA 3.53Å; C179-Q200 PolarHBondContact SG-O 3.04Å
180L94.1Very high91.3Very high35 Ų3538.1 Ų38.118%0.18317%0.173CC..Hα-helixtrans-65.7-45.8177.3-68.6169.8000111.1I176 F177 L178 I182 Q183 L184 L237 L240I176-L180 HydrophobicContact CG2-CD1 3.96Å; I176-L180 HydrophobicContact CG2-CG 4.33Å; I176-L180 VanDerWaalsContact O-CG 3.27Å; I176-L180 WeakPolarHBondContact O-CG 3.2Å; I176-L180 PolarHBondContact O-N 3.17Å; F177-L180 PolarHBondContact O-N 2.94Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L180-I182 PolarHBondContact O-N 3.17Å; L180-Q183 PolarHBondContact O-N 2.86Å; L180-L184 WeakPolarHBondContact O-CG 3.27Å; L180-L184 PolarHBondContact O-N 3.49Å; L180-L237 HydrophobicContact CD1-CD2 4.17Å; L180-L240 HydrophobicContact CB-CD1 4.04Å; L180-L240 HydrophobicContact CD1-CD1 4.24Å; L180-L240 HydrophobicContact CD2-CD1 4.25Å; L180-L240 HydrophobicContact CD2-CD2 4.4Å; L180-L240 HydrophobicContact CG-CD1 4.4Å
181Y93.6Very high90.3Very high0 Ų039.6 Ų39.60%018%0.181CC..Hα-helixtrans-56-50.8175.4172.7-93.5000111.3T70 I71 E75 F177 L178 Q183 L184 R185 Y245T70-Y181 HydrophobicContact CG2-CD1 4.16Å; T70-Y181 HydrophobicContact CG2-CE1 4.31Å; I71-Y181 HydrophobicContact CG1-CD2 4.27Å; I71-Y181 HydrophobicContact CG1-CE1 4.37Å; I71-Y181 HydrophobicContact CG1-CE2 4.07Å; I71-Y181 PolarHBondContact O-OH 2.93Å; E75-Y181 PolarHBondContact N-OH 2.99Å; E75-Y181 PolarHBondContact OE1-OH 3.02Å; F177-Y181 WeakPolarHBondContact O-CB 3.32Å; F177-Y181 PolarHBondContact O-N 2.99Å; L178-Y181 PolarHBondContact O-N 2.91Å; Y181-Q183 VanDerWaalsContact C-N 3.33Å; Y181-Q183 PolarHBondContact O-N 3.41Å; Y181-L184 PolarHBondContact O-N 2.99Å; Y181-R185 HydrophobicContact CD2-CG 4.03Å; Y181-R185 HydrophobicContact CE1-CG 4.39Å; Y181-R185 HydrophobicContact CE2-CG 3.6Å; Y181-R185 VanDerWaalsContact O-CB 3.3Å; Y181-R185 WeakPolarHBondContact O-CB 3.45Å; Y181-R185 PolarHBondContact O-N 3.1Å; Y181-Y245 HydrophobicContact CD2-CE2 4.36Å; Y181-Y245 HydrophobicContact CE2-CE2 4.11Å
182I93.2Very high89.7Confident2 Ų247.8 Ų47.81%0.0121%0.211CC..Hα-helixtrans-59.1-45.2176.8-75.7-178.9000110.8T70 L178 L180 F186 R196 F199 Q200 Y203T70-I182 HydrophobicContact CG2-CD1 4.21Å; T70-I182 HydrophobicContact CG2-CG1 4.19Å; L178-I182 WeakPolarHBondContact O-CB 3.44Å; L178-I182 WeakPolarHBondContact O-CG1 3.39Å; L178-I182 PolarHBondContact O-N 3.41Å; L180-I182 PolarHBondContact O-N 3.17Å; I182-F186 HydrophobicContact CB-CD2 4.39Å; I182-F186 HydrophobicContact CG1-CD2 4.26Å; I182-F186 HydrophobicContact CG1-CE2 4.11Å; I182-F186 HydrophobicContact CG2-CD2 3.84Å; I182-F186 HydrophobicContact CG2-CE2 4.48Å; I182-F186 HydrophobicContact CG2-CG 4.47Å; I182-F186 VanDerWaalsContact O-CB 3.24Å; I182-F186 WeakPolarHBondContact O-CB 3.26Å; I182-F186 PolarHBondContact O-N 2.68Å; I182-R196 HydrophobicContact CG2-CB 3.94Å; I182-R196 HydrophobicContact CG2-CG 3.99Å; I182-F199 HydrophobicContact CD1-CB 3.6Å; I182-F199 HydrophobicContact CD1-CG 4.31Å; I182-Q200 HydrophobicContact CG2-CG 4.37Å; I182-Y203 HydrophobicContact CD1-CD2 4.3Å; I182-Y203 HydrophobicContact CD1-CE2 3.57Å
183Q91.7Very high89.1Confident83 Ų8350.7 Ų50.739%0.38823%0.231SC..Hα-helixtrans-62.2-48.8-178.4-174602200111.4C179 L180 Y181 S187C179-Q183 WeakPolarHBondContact O-CB 3.41Å; C179-Q183 PolarHBondContact O-N 3.36Å; L180-Q183 PolarHBondContact O-N 2.86Å; Y181-Q183 VanDerWaalsContact C-N 3.33Å; Y181-Q183 PolarHBondContact O-N 3.41Å; Q183-S187 WeakPolarHBondContact O-CB 3.26Å; Q183-S187 PolarHBondContact O-N 2.68Å
184L87.9Confident88.7Confident37 Ų3753.2 Ų53.219%0.19426%0.257CS..Hα-helixtrans-69.4-44.9-178.2-66.6-174.2000112L180 Y181 L240 L243 V246 I249L180-L184 WeakPolarHBondContact O-CG 3.27Å; L180-L184 PolarHBondContact O-N 3.49Å; Y181-L184 PolarHBondContact O-N 2.99Å; L184-L240 HydrophobicContact CD1-CD1 3.37Å; L184-L240 HydrophobicContact CD1-CG 4.48Å; L184-L240 HydrophobicContact CG-CD1 4.21Å; L184-L243 HydrophobicContact CD1-CD1 4.03Å; L184-V246 HydrophobicContact CD1-CG2 3.87Å; L184-I249 HydrophobicContact CD2-CD1 3.64Å
185R87.2Confident88.3Confident25 Ų2556 Ų569%0.09427%0.274CS..Hα-helixtrans-74.3-57.2-177-75.1-55.7-128.1178.43.7111.9E75 P96 Y181 S187 R188 F189 Y245E75-R185 IonicContact OE1-CZ 3.55Å; E75-R185 IonicContact OE1-NE 3.58Å; E75-R185 PolarHBondContact OE1-NE 3.4Å; E75-R185 IonicContact OE1-NH2 2.65Å; E75-R185 PolarHBondContact OE1-NH2 2.87Å; E75-R185 VanDerWaalsContact OE1-NH2 3.14Å; E75-R185 IonicContact OE2-CZ 3.14Å; E75-R185 IonicContact OE2-NE 3.4Å; E75-R185 IonicContact OE2-NH2 2.79Å; E75-R185 PolarHBondContact OE2-NH2 3.47Å; P96-R185 VanDerWaalsContact CB-NH2 3.31Å; Y181-R185 HydrophobicContact CD2-CG 4.03Å; Y181-R185 HydrophobicContact CE1-CG 4.39Å; Y181-R185 HydrophobicContact CE2-CG 3.6Å; Y181-R185 VanDerWaalsContact O-CB 3.3Å; Y181-R185 WeakPolarHBondContact O-CB 3.45Å; Y181-R185 PolarHBondContact O-N 3.1Å; R185-S187 VanDerWaalsContact C-N 3.34Å; R185-S187 PolarHBondContact O-N 3.14Å; R185-R188 PolarHBondContact O-N 3.43Å; R185-F189 VanDerWaalsContact O-CD2 3.23Å; R185-F189 WeakPolarHBondContact O-CD2 3.37Å; R185-Y245 VanDerWaalsContact CD-CD2 3.47Å; R185-Y245 VanDerWaalsContact CD-CE2 3.5Å; R185-Y245 HydrophobicContact CG-CD2 3.89Å; R185-Y245 HydrophobicContact CG-CE2 3.81Å; R185-Y245 VanDerWaalsContact CZ-OH 3.27Å; R185-Y245 VanDerWaalsContact NE-CE1 3.29Å; R185-Y245 PolarHBondContact NE-OH 3.46Å; R185-Y245 PolarHBondContact NH2-OH 3.47Å
186F86.8Confident87.9Confident14 Ų1457 Ų576%0.06128%0.277CS..Hα-helixtrans-77.4-21.2-168-64.8-8.2000113.3V78 I182 R188 F189 R190 I191 R196V78-F186 HydrophobicContact CG2-CD1 4.41Å; V78-F186 HydrophobicContact CG2-CE1 4.44Å; I182-F186 HydrophobicContact CB-CD2 4.39Å; I182-F186 HydrophobicContact CG1-CD2 4.26Å; I182-F186 HydrophobicContact CG1-CE2 4.11Å; I182-F186 HydrophobicContact CG2-CD2 3.84Å; I182-F186 HydrophobicContact CG2-CE2 4.48Å; I182-F186 HydrophobicContact CG2-CG 4.47Å; I182-F186 VanDerWaalsContact O-CB 3.24Å; I182-F186 WeakPolarHBondContact O-CB 3.26Å; I182-F186 PolarHBondContact O-N 2.68Å; F186-R188 VanDerWaalsContact C-N 3.29Å; F186-R188 PolarHBondContact O-N 3.37Å; F186-F189 PolarHBondContact O-N 2.96Å; F186-R190 PolarHBondContact O-N 2.91Å; F186-I191 HydrophobicContact CB-CB 4.02Å; F186-I191 HydrophobicContact CB-CD1 3.79Å; F186-I191 HydrophobicContact CB-CG1 4.07Å; F186-I191 HydrophobicContact CD1-CD1 3.79Å; F186-I191 HydrophobicContact CD2-CD1 3.87Å; F186-I191 HydrophobicContact CE1-CD1 4.31Å; F186-I191 HydrophobicContact CE2-CD1 4.38Å; F186-I191 HydrophobicContact CG-CD1 3.56Å; F186-I191 HydrophobicContact CG-CG1 4.39Å; F186-I191 PolarHBondContact O-N 3.27Å; F186-R196 HydrophobicContact CB-CG 3.93Å; F186-R196 HydrophobicContact CD2-CG 4.45Å
187S79.6Confident87.7Confident57 Ų5759.1 Ų59.140%0.39929%0.291SS..Hα-helixtrans-63.8-36.8172.3-162.90000112Q183 R185 F189 R190 R196Q183-S187 WeakPolarHBondContact O-CB 3.26Å; Q183-S187 PolarHBondContact O-N 2.68Å; R185-S187 VanDerWaalsContact C-N 3.34Å; R185-S187 PolarHBondContact O-N 3.14Å; S187-F189 VanDerWaalsContact C-N 3.31Å; S187-F189 PolarHBondContact O-N 3.28Å; S187-R190 PolarHBondContact O-N 3.47Å; S187-R196 VanDerWaalsContact CA-NH1 3.3Å; S187-R196 PolarHBondContact OG-NH1 3.32Å
188R73.2Confident87.6Confident139 Ų13962.4 Ų62.453%0.52531%0.314SS..Hα-helixtrans-66.7-32.3179.5-171.1172.3-177.597.4-1.5112.7R185 F186 S252R185-R188 PolarHBondContact O-N 3.43Å; F186-R188 VanDerWaalsContact C-N 3.29Å; F186-R188 PolarHBondContact O-N 3.37Å; R188-S252 PolarHBondContact NH1-OG 3.44Å
189F73.1Confident87.6Confident92 Ų9266.8 Ų66.840%0.40433%0.333SS..THydrogen-bonded Turntrans-96.817.4-177.3-63.8-82.7000113.7V78 R185 F186 S187 I191V78-F189 HydrophobicContact CB-CD2 4.17Å; V78-F189 HydrophobicContact CB-CE2 4.04Å; V78-F189 HydrophobicContact CB-CZ 4.3Å; V78-F189 HydrophobicContact CG1-CD1 4.3Å; V78-F189 HydrophobicContact CG1-CD2 3.84Å; V78-F189 HydrophobicContact CG1-CE1 3.74Å; V78-F189 HydrophobicContact CG1-CE2 3.23Å; V78-F189 HydrophobicContact CG1-CG 4.35Å; V78-F189 HydrophobicContact CG1-CZ 3.19Å; V78-F189 HydrophobicContact CG2-CD2 3.38Å; V78-F189 HydrophobicContact CG2-CE2 3.65Å; V78-F189 HydrophobicContact CG2-CG 3.92Å; V78-F189 HydrophobicContact CG2-CZ 4.37Å; R185-F189 VanDerWaalsContact O-CD2 3.23Å; R185-F189 WeakPolarHBondContact O-CD2 3.37Å; F186-F189 PolarHBondContact O-N 2.96Å; S187-F189 VanDerWaalsContact C-N 3.31Å; S187-F189 PolarHBondContact O-N 3.28Å; F189-I191 PolarHBondContact O-N 2.89Å; F189-I191 VanDerWaalsContact O-N 3.14Å
190R74.2Confident87.6Confident229 Ų22967.7 Ų67.786%0.86434%0.336SS*.THydrogen-bonded Turntrans54.530.7176.7-61.1-174171.7103.7-3.6114F186 S187 Y192F186-R190 PolarHBondContact O-N 2.91Å; S187-R190 PolarHBondContact O-N 3.47Å; R190-Y192 PolarHBondContact O-N 3.48Å
191I78.7Confident87.8Confident34 Ų3470.2 Ų70.217%0.17435%0.352CS..  trans-63.7137.1170.1-58.7-166.3000108.5I77 F186 F189 V195 R196I77-I191 HydrophobicContact CG2-CD1 4.17Å; F186-I191 HydrophobicContact CB-CB 4.02Å; F186-I191 HydrophobicContact CB-CD1 3.79Å; F186-I191 HydrophobicContact CB-CG1 4.07Å; F186-I191 HydrophobicContact CD1-CD1 3.79Å; F186-I191 HydrophobicContact CD2-CD1 3.87Å; F186-I191 HydrophobicContact CE1-CD1 4.31Å; F186-I191 HydrophobicContact CE2-CD1 4.38Å; F186-I191 HydrophobicContact CG-CD1 3.56Å; F186-I191 HydrophobicContact CG-CG1 4.39Å; F186-I191 PolarHBondContact O-N 3.27Å; F189-I191 PolarHBondContact O-N 2.89Å; F189-I191 VanDerWaalsContact O-N 3.14Å; I191-V195 HydrophobicContact CG2-CB 4.25Å; I191-V195 HydrophobicContact CG2-CG1 4.34Å; I191-R196 HydrophobicContact CG2-CG 4.32Å; I191-R196 PolarHBondContact O-NE 2.91Å; I191-R196 PolarHBondContact O-NH2 2.91Å
192Y84.9Confident88Confident181 Ų18173.9 Ų73.971%0.7137%0.371SS*.  trans-49130.7-176.8-65.3-71.1000111.6R190 G194 V195 R196R190-Y192 PolarHBondContact O-N 3.48Å; Y192-G194 PolarHBondContact O-N 2.92Å; Y192-V195 PolarHBondContact O-N 3.45Å; Y192-V195 VanDerWaalsContact O-N 3.13Å; Y192-R196 PolarHBondContact O-N 3.31Å
193P87.2Confident88.2Confident83 Ų8374.7 Ų74.754%0.53938%0.375SS..Hα-helixtrans-50.6-42.4178.6-26.432.2000113.2V195 R196 T197P193-V195 VanDerWaalsContact C-N 3.34Å; P193-V195 PolarHBondContact O-N 2.84Å; P193-R196 WeakPolarHBondContact O-CB 3.27Å; P193-R196 PolarHBondContact O-N 3.42Å; P193-T197 PolarHBondContact O-N 3.5Å; P193-T197 PolarHBondContact O-OG1 3.41Å; P193-T197 VanDerWaalsContact O-OG1 3.04Å
194G89.4Confident88.5Confident53 Ų5374.1 Ų74.155%0.54637%0.373SS..Hα-helixtrans-60.5-37.6-179.500000114.3Y192 T197 C198Y192-G194 PolarHBondContact O-N 2.92Å; G194-T197 PolarHBondContact O-N 3.19Å; G194-C198 WeakPolarHBondContact O-CB 3.47Å; G194-C198 PolarHBondContact O-N 2.87Å
195V90.2Very high89.1Confident64 Ų6474.5 Ų74.539%0.38838%0.381SS..Hα-helixtrans-66.7-44.6177.7177.80000110.2I191 Y192 P193 C198 F199I191-V195 HydrophobicContact CG2-CB 4.25Å; I191-V195 HydrophobicContact CG2-CG1 4.34Å; Y192-V195 PolarHBondContact O-N 3.45Å; Y192-V195 VanDerWaalsContact O-N 3.13Å; P193-V195 VanDerWaalsContact C-N 3.34Å; P193-V195 PolarHBondContact O-N 2.84Å; V195-C198 PolarHBondContact O-N 2.93Å; V195-F199 HydrophobicContact CG1-CD2 3.98Å; V195-F199 HydrophobicContact CG1-CE2 3.76Å; V195-F199 VanDerWaalsContact O-CD2 3.27Å; V195-F199 WeakPolarHBondContact O-CD2 3.41Å; V195-F199 PolarHBondContact O-N 2.94Å
196R91.2Very high89.6Confident26 Ų2677.1 Ų77.110%0.09840%0.397CS..Hα-helixtrans-59.6-49.7176.9-67-178.7-80.1163.1-10.3111.1I182 F186 S187 I191 Y192 P193 C198 F199 Q200I182-R196 HydrophobicContact CG2-CB 3.94Å; I182-R196 HydrophobicContact CG2-CG 3.99Å; F186-R196 HydrophobicContact CB-CG 3.93Å; F186-R196 HydrophobicContact CD2-CG 4.45Å; S187-R196 VanDerWaalsContact CA-NH1 3.3Å; S187-R196 PolarHBondContact OG-NH1 3.32Å; I191-R196 HydrophobicContact CG2-CG 4.32Å; I191-R196 PolarHBondContact O-NE 2.91Å; I191-R196 PolarHBondContact O-NH2 2.91Å; Y192-R196 PolarHBondContact O-N 3.31Å; P193-R196 WeakPolarHBondContact O-CB 3.27Å; P193-R196 PolarHBondContact O-N 3.42Å; R196-C198 VanDerWaalsContact C-N 3.31Å; R196-C198 PolarHBondContact O-N 3.18Å; R196-F199 PolarHBondContact O-N 2.96Å; R196-Q200 VanDerWaalsContact O-CG 3.26Å; R196-Q200 WeakPolarHBondContact O-CG 3.42Å; R196-Q200 PolarHBondContact O-N 3.33Å
197T94.3Very high90.1Very high73 Ų7376.5 Ų76.545%0.44840%0.395SS..Hα-helixtrans-60.5-40178.7-54.60000111.8P193 G194 Q200 V201P193-T197 PolarHBondContact O-N 3.5Å; P193-T197 PolarHBondContact O-OG1 3.41Å; P193-T197 VanDerWaalsContact O-OG1 3.04Å; G194-T197 PolarHBondContact O-N 3.19Å; T197-Q200 PolarHBondContact O-N 3.13Å; T197-V201 HydrophobicContact CG2-CG2 4.23Å; T197-V201 WeakPolarHBondContact O-CB 3.21Å; T197-V201 VanDerWaalsContact O-CG2 3.27Å; T197-V201 WeakPolarHBondContact O-CG2 3.37Å; T197-V201 PolarHBondContact O-N 2.86Å
198C95.8Very high91Very high71 Ų7177.4 Ų77.448%0.4840%0.395SS..Hα-helixtrans-59.6-51.2178.5-175.10000112G194 V195 R196 Q200 V201 I202G194-C198 WeakPolarHBondContact O-CB 3.47Å; G194-C198 PolarHBondContact O-N 2.87Å; V195-C198 PolarHBondContact O-N 2.93Å; R196-C198 VanDerWaalsContact C-N 3.31Å; R196-C198 PolarHBondContact O-N 3.18Å; C198-Q200 VanDerWaalsContact C-N 3.34Å; C198-Q200 PolarHBondContact O-N 2.94Å; C198-V201 PolarHBondContact O-N 3.38Å; C198-I202 VanDerWaalsContact O-CG1 3.31Å; C198-I202 WeakPolarHBondContact O-CG1 3.39Å; C198-I202 PolarHBondContact O-N 3.31Å
199F95.8Very high92.2Very high91 Ų9174.8 Ų74.840%0.39939%0.394SS..Hα-helixtrans-62.7-40.7177.2-77.4-71.4000112.5I182 V195 R196 V201 I202 Y203I182-F199 HydrophobicContact CD1-CB 3.6Å; I182-F199 HydrophobicContact CD1-CG 4.31Å; V195-F199 HydrophobicContact CG1-CD2 3.98Å; V195-F199 HydrophobicContact CG1-CE2 3.76Å; V195-F199 VanDerWaalsContact O-CD2 3.27Å; V195-F199 WeakPolarHBondContact O-CD2 3.41Å; V195-F199 PolarHBondContact O-N 2.94Å; R196-F199 PolarHBondContact O-N 2.96Å; F199-V201 PolarHBondContact O-N 3.5Å; F199-I202 PolarHBondContact O-N 3.2Å; F199-Y203 HydrophobicContact CB-CE2 4.34Å; F199-Y203 WeakPolarHBondContact O-CD2 3.22Å; F199-Y203 VanDerWaalsContact O-CG 3.31Å; F199-Y203 PolarHBondContact O-N 3.38Å
200Q97.3Very high93.4Very high33 Ų3371.1 Ų71.115%0.15438%0.379CS..Hα-helixtrans-60.4-45.8176.7-72.6169.2-22.600111.8C179 I182 R196 T197 C198 I202 Y203 I204C179-Q200 HydrophobicContact CB-CB 4.45Å; C179-Q200 HydrophobicContact CB-CG 3.95Å; C179-Q200 PolarHBondContact O-NE2 3.46Å; C179-Q200 VanDerWaalsContact SG-CA 3.53Å; C179-Q200 PolarHBondContact SG-O 3.04Å; I182-Q200 HydrophobicContact CG2-CG 4.37Å; R196-Q200 VanDerWaalsContact O-CG 3.26Å; R196-Q200 WeakPolarHBondContact O-CG 3.42Å; R196-Q200 PolarHBondContact O-N 3.33Å; T197-Q200 PolarHBondContact O-N 3.13Å; C198-Q200 VanDerWaalsContact C-N 3.34Å; C198-Q200 PolarHBondContact O-N 2.94Å; Q200-I202 PolarHBondContact O-N 2.94Å; Q200-Y203 PolarHBondContact O-N 3.39Å; Q200-I204 VanDerWaalsContact O-CG1 3.28Å; Q200-I204 WeakPolarHBondContact O-CG1 3.28Å; Q200-I204 PolarHBondContact O-N 2.92Å
201V98Very high94.6Very high87 Ų8760.3 Ų60.353%0.52734%0.339SS..Hα-helixtrans-63.2-41.5176.8170.90000111.1T197 C198 F199 I204 A205T197-V201 HydrophobicContact CG2-CG2 4.23Å; T197-V201 WeakPolarHBondContact O-CB 3.21Å; T197-V201 VanDerWaalsContact O-CG2 3.27Å; T197-V201 WeakPolarHBondContact O-CG2 3.37Å; T197-V201 PolarHBondContact O-N 2.86Å; C198-V201 PolarHBondContact O-N 3.38Å; F199-V201 PolarHBondContact O-N 3.5Å; V201-I204 PolarHBondContact O-N 3.46Å; V201-A205 VanDerWaalsContact O-CB 3.25Å; V201-A205 WeakPolarHBondContact O-CB 3.48Å; V201-A205 PolarHBondContact O-N 3.19Å
202I98.2Very high95.5Very high77 Ų7765 Ų6540%0.39536%0.355SS..Hα-helixtrans-60.1-47.8176.2-70.4165.8000110.7C198 F199 Q200 I204 A205 L206C198-I202 VanDerWaalsContact O-CG1 3.31Å; C198-I202 WeakPolarHBondContact O-CG1 3.39Å; C198-I202 PolarHBondContact O-N 3.31Å; F199-I202 PolarHBondContact O-N 3.2Å; Q200-I202 PolarHBondContact O-N 2.94Å; I202-I204 PolarHBondContact O-N 3.43Å; I202-A205 PolarHBondContact O-N 2.88Å; I202-L206 HydrophobicContact CG2-CD1 4.14Å; I202-L206 HydrophobicContact CG2-CG 4.49Å; I202-L206 WeakPolarHBondContact O-CG 3.21Å; I202-L206 PolarHBondContact O-N 3.41Å
203Y98.3Very high96.2Very high20 Ų2056.6 Ų56.68%0.07832%0.323CS..Hα-helixtrans-63.5-43.2179.6-65.4-29.5000112.6L66 T70 A175 L178 I182 F199 Q200 A205 L206 G207L66-Y203 HydrophobicContact CD2-CE1 4.24Å; T70-Y203 HydrophobicContact CG2-CE2 4.28Å; T70-Y203 PolarHBondContact OG1-OH 3.35Å; A175-Y203 WeakPolarHBondContact CB-O 3.29Å; L178-Y203 HydrophobicContact CB-CD2 3.51Å; L178-Y203 HydrophobicContact CB-CE2 3.64Å; L178-Y203 HydrophobicContact CB-CG 4.25Å; L178-Y203 HydrophobicContact CD1-CD1 4.24Å; L178-Y203 HydrophobicContact CD1-CD2 4.11Å; L178-Y203 HydrophobicContact CD1-CE1 4.13Å; L178-Y203 HydrophobicContact CD1-CE2 3.93Å; L178-Y203 HydrophobicContact CD1-CG 4.26Å; L178-Y203 HydrophobicContact CG-CD2 4.46Å; L178-Y203 HydrophobicContact CG-CE2 4.34Å; I182-Y203 HydrophobicContact CD1-CD2 4.3Å; I182-Y203 HydrophobicContact CD1-CE2 3.57Å; F199-Y203 HydrophobicContact CB-CE2 4.34Å; F199-Y203 WeakPolarHBondContact O-CD2 3.22Å; F199-Y203 VanDerWaalsContact O-CG 3.31Å; F199-Y203 PolarHBondContact O-N 3.38Å; Q200-Y203 PolarHBondContact O-N 3.39Å; Y203-A205 VanDerWaalsContact C-N 3.35Å; Y203-L206 PolarHBondContact O-N 3.47Å; Y203-G207 PolarHBondContact O-N 3.38Å
204I98.3Very high96.7Very high71 Ų7152.7 Ų52.736%0.36430%0.298SS..Hα-helixtrans-61.5-45.6174.9-67.5166.3000110.3Q200 V201 I202 L206 G207 L208Q200-I204 VanDerWaalsContact O-CG1 3.28Å; Q200-I204 WeakPolarHBondContact O-CG1 3.28Å; Q200-I204 PolarHBondContact O-N 2.92Å; V201-I204 PolarHBondContact O-N 3.46Å; I202-I204 PolarHBondContact O-N 3.43Å; I204-L206 PolarHBondContact O-N 2.99Å; I204-G207 WeakPolarHBondContact O-CA 3.26Å; I204-G207 PolarHBondContact O-N 2.92Å; I204-G207 VanDerWaalsContact O-N 3.13Å; I204-L208 HydrophobicContact CG2-CD1 4.11Å; I204-L208 HydrophobicContact CG2-CG 4.38Å; I204-L208 WeakPolarHBondContact O-CG 3.28Å; I204-L208 PolarHBondContact O-N 3.45Å
205A98.5Very high97.1Very high44 Ų4453 Ų5336%0.36429%0.287SS..Hα-helixtrans-60.1-43178.500000112V201 I202 Y203 G207 L208 V209V201-A205 VanDerWaalsContact O-CB 3.25Å; V201-A205 WeakPolarHBondContact O-CB 3.48Å; V201-A205 PolarHBondContact O-N 3.19Å; I202-A205 PolarHBondContact O-N 2.88Å; Y203-A205 VanDerWaalsContact C-N 3.35Å; A205-G207 VanDerWaalsContact C-N 3.33Å; A205-G207 PolarHBondContact O-N 3.41Å; A205-L208 PolarHBondContact O-N 3.22Å; A205-V209 VanDerWaalsContact O-CG2 3.31Å; A205-V209 WeakPolarHBondContact O-CG2 3.41Å; A205-V209 PolarHBondContact O-N 3.34Å
206L98.4Very high97.4Very high80 Ų8054.9 Ų54.942%0.41929%0.293SS..Hα-helixtrans-60.4-43.1174.3-70.8172.9000111.6L66 I202 Y203 I204 L208 V209 V210L66-L206 HydrophobicContact CD1-CD1 4.03Å; I202-L206 HydrophobicContact CG2-CD1 4.14Å; I202-L206 HydrophobicContact CG2-CG 4.49Å; I202-L206 WeakPolarHBondContact O-CG 3.21Å; I202-L206 PolarHBondContact O-N 3.41Å; Y203-L206 PolarHBondContact O-N 3.47Å; I204-L206 PolarHBondContact O-N 2.99Å; L206-L208 PolarHBondContact O-N 2.71Å; L206-V209 PolarHBondContact O-N 3.25Å; L206-V210 WeakPolarHBondContact O-CG2 3.5Å; L206-V210 PolarHBondContact O-N 2.87Å; L206-V210 VanDerWaalsContact O-N 3.08Å
207G98.5Very high97.7Very high2 Ų253.9 Ų53.92%0.02129%0.29CS..Hα-helixtrans-57.8-45173.900000113.1Y203 I204 A205 V210 G211Y203-G207 PolarHBondContact O-N 3.38Å; I204-G207 WeakPolarHBondContact O-CA 3.26Å; I204-G207 PolarHBondContact O-N 2.92Å; I204-G207 VanDerWaalsContact O-N 3.13Å; A205-G207 VanDerWaalsContact C-N 3.33Å; A205-G207 PolarHBondContact O-N 3.41Å; G207-V210 PolarHBondContact O-N 3.24Å; G207-G211 PolarHBondContact O-N 3.29Å; G207-G211 VanDerWaalsContact O-N 3.07Å
208L98.3Very high97.8Very high75 Ų7551 Ų5139%0.39327%0.272SS..Hα-helixtrans-66.5-42.8177.6-67.8176.1000112.3I204 A205 L206 V210 G211 Y212I204-L208 HydrophobicContact CG2-CD1 4.11Å; I204-L208 HydrophobicContact CG2-CG 4.38Å; I204-L208 WeakPolarHBondContact O-CG 3.28Å; I204-L208 PolarHBondContact O-N 3.45Å; A205-L208 PolarHBondContact O-N 3.22Å; L206-L208 PolarHBondContact O-N 2.71Å; L208-V210 VanDerWaalsContact C-N 3.28Å; L208-V210 PolarHBondContact O-N 3.38Å; L208-G211 CarbonylContact O-C 3.5Å; L208-G211 WeakPolarHBondContact O-CA 3.35Å; L208-G211 PolarHBondContact O-N 3.03Å; L208-Y212 HydrophobicContact CB-CE2 4.15Å; L208-Y212 VanDerWaalsContact O-CG 3.31Å; L208-Y212 PolarHBondContact O-N 2.71Å
209V98.3Very high97.8Very high84 Ų8448 Ų4851%0.50925%0.251SS..Hα-helixtrans-58.1-42.51761680000110.8I54 A205 L206 Y212 S213I54-V209 HydrophobicContact CD1-CG1 4.45Å; A205-V209 VanDerWaalsContact O-CG2 3.31Å; A205-V209 WeakPolarHBondContact O-CG2 3.41Å; A205-V209 PolarHBondContact O-N 3.34Å; L206-V209 PolarHBondContact O-N 3.25Å; V209-Y212 PolarHBondContact O-N 3.35Å; V209-S213 WeakPolarHBondContact O-CB 3.37Å; V209-S213 PolarHBondContact O-N 3.21Å
210V98.5Very high97.9Very high15 Ų1544 Ų449%0.09123%0.233CC..Hα-helixtrans-61.2-45.8173.3176.60000110.9I54 L59 H167 A171 L206 G207 L208 S213 R214I54-V210 HydrophobicContact CD1-CB 4.32Å; I54-V210 HydrophobicContact CD1-CG2 3.74Å; L59-V210 HydrophobicContact CD1-CG1 4.26Å; L59-V210 HydrophobicContact CD1-CG2 4.4Å; H167-V210 HydrophobicContact CB-CG1 3.8Å; A171-V210 HydrophobicContact CB-CB 3.66Å; A171-V210 HydrophobicContact CB-CG1 3.77Å; A171-V210 HydrophobicContact CB-CG2 3.85Å; L206-V210 WeakPolarHBondContact O-CG2 3.5Å; L206-V210 PolarHBondContact O-N 2.87Å; L206-V210 VanDerWaalsContact O-N 3.08Å; G207-V210 PolarHBondContact O-N 3.24Å; L208-V210 VanDerWaalsContact C-N 3.28Å; L208-V210 PolarHBondContact O-N 3.38Å; V210-S213 PolarHBondContact O-N 2.85Å; V210-S213 PolarHBondContact O-OG 3.41Å; V210-R214 PolarHBondContact O-N 3.02Å
211G98.4Very high97.9Very high2 Ų243.6 Ų43.62%0.02123%0.231CC..Hα-helixtrans-56.9-50.7175.700000113.5G207 L208 S213 R214G207-G211 PolarHBondContact O-N 3.29Å; G207-G211 VanDerWaalsContact O-N 3.07Å; L208-G211 CarbonylContact O-C 3.5Å; L208-G211 WeakPolarHBondContact O-CA 3.35Å; L208-G211 PolarHBondContact O-N 3.03Å; G211-S213 VanDerWaalsContact C-N 3.34Å; G211-S213 PolarHBondContact O-N 3.26Å; G211-R214 WeakPolarHBondContact O-CB 3.4Å; G211-R214 PolarHBondContact O-N 3.16Å; G211-R214 VanDerWaalsContact O-N 3.14Å
212Y98.4Very high97.9Very high132 Ų13248 Ų4852%0.51824%0.238SC..Hα-helixtrans-63.9-38.4-179.7-61.2-24.7000112.3L208 V209 R214 I215 I216L208-Y212 HydrophobicContact CB-CE2 4.15Å; L208-Y212 VanDerWaalsContact O-CG 3.31Å; L208-Y212 PolarHBondContact O-N 2.71Å; V209-Y212 PolarHBondContact O-N 3.35Å; Y212-R214 PolarHBondContact O-N 3.37Å; Y212-R214 VanDerWaalsContact O-N 3.17Å; Y212-I215 PolarHBondContact O-N 3.46Å; Y212-I216 WeakPolarHBondContact O-CG1 3.3Å; Y212-I216 PolarHBondContact O-N 3.31Å
213S98.2Very high97.9Very high6 Ų645.6 Ų45.64%0.04223%0.228CC..Hα-helixtrans-55.6-35.9175.478.80000111.9V209 V210 G211 I215 I216 D217V209-S213 WeakPolarHBondContact O-CB 3.37Å; V209-S213 PolarHBondContact O-N 3.21Å; V210-S213 PolarHBondContact O-N 2.85Å; V210-S213 PolarHBondContact O-OG 3.41Å; G211-S213 VanDerWaalsContact C-N 3.34Å; G211-S213 PolarHBondContact O-N 3.26Å; S213-I215 VanDerWaalsContact C-N 3.32Å; S213-I215 PolarHBondContact O-N 3.04Å; S213-I216 PolarHBondContact O-N 2.7Å; S213-D217 WeakPolarHBondContact O-CB 3.31Å; S213-D217 PolarHBondContact O-N 2.66Å; S213-D217 VanDerWaalsContact O-OD2 3.12Å
214R97.8Very high97.9Very high1 Ų144.6 Ų44.60%0.00423%0.225CC..Hα-helixtrans-68.8-29.7-180-63.7-52.384.4144.9-7.9113.8I54 H167 V210 G211 Y212 D217 K219 H220 V225I54-R214 VanDerWaalsContact N-NH2 3.19Å; I54-R214 VanDerWaalsContact O-CZ 3.27Å; I54-R214 PolarHBondContact O-NH1 3.41Å; I54-R214 PolarHBondContact O-NH2 3.4Å; H167-R214 HydrophobicContact CB-CG 4.02Å; H167-R214 PolarHBondContact CD2-NH1 3.33Å; H167-R214 PolarHBondContact CE1-NH1 2.93Å; H167-R214 VanDerWaalsContact CE1-NH1 3.33Å; H167-R214 PolarHBondContact ND1-NH1 2.9Å; H167-R214 PolarHBondContact NE2-NH1 3.4Å; V210-R214 PolarHBondContact O-N 3.02Å; G211-R214 WeakPolarHBondContact O-CB 3.4Å; G211-R214 PolarHBondContact O-N 3.16Å; G211-R214 VanDerWaalsContact O-N 3.14Å; Y212-R214 PolarHBondContact O-N 3.37Å; Y212-R214 VanDerWaalsContact O-N 3.17Å; R214-D217 IonicContact CZ-OD2 3.69Å; R214-D217 IonicContact NE-OD2 3.9Å; R214-D217 IonicContact NH2-OD2 2.82Å; R214-D217 PolarHBondContact NH2-OD2 3.46Å; R214-K219 PolarHBondContact O-N 3.41Å; R214-H220 HydrophobicContact CB-CB 4.11Å; R214-H220 PolarHBondContact O-N 3.2Å; R214-V225 HydrophobicContact CB-CG2 4Å
215I97.8Very high97.9Very high60 Ų6042 Ų4231%0.30821%0.212SC..Hα-helixtrans-76.6-47.6175.8-54.4179.5000109.3Y212 S213 D217 N218 W222 V225Y212-I215 PolarHBondContact O-N 3.46Å; S213-I215 VanDerWaalsContact C-N 3.32Å; S213-I215 PolarHBondContact O-N 3.04Å; I215-D217 VanDerWaalsContact C-N 3.32Å; I215-D217 PolarHBondContact O-N 2.77Å; I215-N218 PolarHBondContact O-N 2.79Å; I215-N218 VanDerWaalsContact O-N 3.14Å; I215-W222 HydrophobicContact CD1-CB 4.13Å; I215-V225 HydrophobicContact CD1-CB 4.48Å; I215-V225 HydrophobicContact CD1-CG2 4.27Å; I215-V225 HydrophobicContact CG1-CG2 3.78Å
216I97.1Very high97.9Very high103 Ų10344.4 Ų44.453%0.52822%0.218SC..Hα-helixtrans-63.5-37.9-179.2-64.4166.6000111.6R50 Y212 S213 N218R50-I216 WeakPolarHBondContact CD-O 3.23Å; R50-I216 PolarHBondContact NH1-O 2.66Å; R50-I216 VanDerWaalsContact NH1-O 3.07Å; Y212-I216 WeakPolarHBondContact O-CG1 3.3Å; Y212-I216 PolarHBondContact O-N 3.31Å; S213-I216 PolarHBondContact O-N 2.7Å; I216-N218 PolarHBondContact O-N 2.87Å
217D97Very high97.9Very high5 Ų541.3 Ų41.33%0.02721%0.206CC..THydrogen-bonded Turntrans-78.44.3178.6-62.8-18.7000113.1T53 S213 R214 I215 K219T53-D217 WeakPolarHBondContact CB-OD1 3.07Å; T53-D217 PolarHBondContact N-OD1 3.49Å; T53-D217 PolarHBondContact N-OD2 3.14Å; T53-D217 PolarHBondContact OG1-OD1 2.67Å; S213-D217 WeakPolarHBondContact O-CB 3.31Å; S213-D217 PolarHBondContact O-N 2.66Å; S213-D217 VanDerWaalsContact O-OD2 3.12Å; R214-D217 IonicContact CZ-OD2 3.69Å; R214-D217 IonicContact NE-OD2 3.9Å; R214-D217 IonicContact NH2-OD2 2.82Å; R214-D217 PolarHBondContact NH2-OD2 3.46Å; I215-D217 VanDerWaalsContact C-N 3.32Å; I215-D217 PolarHBondContact O-N 2.77Å; D217-K219 HydrophobicContact CB-CG 3.72Å; D217-K219 WeakPolarHBondContact O-CE 3.38Å; D217-K219 PolarHBondContact O-N 3.42Å; D217-K219 VanDerWaalsContact O-N 3.13Å
218N96.3Very high97.9Very high13 Ų1341.2 Ų41.27%0.0721%0.205CC..THydrogen-bonded Turntrans5330.4-175.2-61.8-35.1000113.7K47 P48 P127 N128 I215 I216K47-N218 HydrophobicContact CB-CB 4.1Å; K47-N218 HydrophobicContact CD-CB 4.42Å; K47-N218 VanDerWaalsContact CD-OD1 3.23Å; K47-N218 WeakPolarHBondContact CD-OD1 3.44Å; P48-N218 PolarHBondContact O-ND2 3.13Å; P127-N218 HydrophobicContact CB-CB 4.48Å; N128-N218 VanDerWaalsContact CG-O 3.3Å; N128-N218 PolarHBondContact ND2-O 3.39Å; N128-N218 VanDerWaalsContact ND2-O 3.14Å; I215-N218 PolarHBondContact O-N 2.79Å; I215-N218 VanDerWaalsContact O-N 3.14Å; I216-N218 PolarHBondContact O-N 2.87Å
219K96Very high98Very high8 Ų838.3 Ų38.34%0.03519%0.192CC..SBendtrans-88.6-29.1-178.9-60.4-61.9168-179.80112.6R50 N52 R126 R214 D217R50-K219 WeakPolarHBondContact O-CE 3.47Å; R50-K219 PolarHBondContact O-NZ 2.9Å; N52-K219 WeakPolarHBondContact OD1-CE 3.3Å; R126-K219 VanDerWaalsContact CD-O 3.24Å; R126-K219 WeakPolarHBondContact CD-O 3.32Å; R126-K219 VanDerWaalsContact CG-O 3.29Å; R126-K219 WeakPolarHBondContact CG-O 3.42Å; R214-K219 PolarHBondContact O-N 3.41Å; D217-K219 HydrophobicContact CB-CG 3.72Å; D217-K219 WeakPolarHBondContact O-CE 3.38Å; D217-K219 PolarHBondContact O-N 3.42Å; D217-K219 VanDerWaalsContact O-N 3.13Å
220H97.8Very high98Very high7 Ų738.3 Ų38.33%0.03219%0.189CC..SBendtrans-146.1147.2-172.6-72.5-65.9000110.6S162 R214 D224 V225S162-H220 PolarHBondContact O-CE1 3.04Å; S162-H220 PolarHBondContact O-ND1 3.46Å; R214-H220 HydrophobicContact CB-CB 4.11Å; R214-H220 PolarHBondContact O-N 3.2Å; H220-D224 HydrophobicContact CB-CB 3.92Å; H220-D224 IonicContact ND1-OD2 3.97Å; H220-V225 HydrophobicContact CB-CG2 4.05Å
221H98Very high98Very high24 Ų2439.2 Ų39.211%0.11119%0.193CC..  trans-69.9157.9167.1-59.487.9000109.7S44 R124 L125 S223 D224 V225S44-H221 PolarHBondContact O-NE2 3.26Å; R124-H221 PolarHBondContact NE-ND1 3.24Å; R124-H221 VanDerWaalsContact NH2-CG 3.34Å; L125-H221 PolarHBondContact O-CE1 2.88Å; L125-H221 VanDerWaalsContact O-CE1 3.23Å; H221-S223 PolarHBondContact O-N 3.41Å; H221-D224 WeakPolarHBondContact CB-OD2 3.09Å; H221-D224 IonicContact CG-OD2 3.68Å; H221-D224 PolarHBondContact N-OD2 3.35Å; H221-D224 IonicContact ND1-OD2 3.13Å; H221-D224 PolarHBondContact ND1-OD2 3.47Å; H221-D224 VanDerWaalsContact ND1-OD2 3.13Å; H221-D224 WeakPolarHBondContact O-CB 3.41Å; H221-D224 PolarHBondContact O-N 3.46Å; H221-V225 PolarHBondContact O-N 2.95Å; H221-V225 VanDerWaalsContact O-N 3.16Å
222W97.8Very high98Very high178 Ų17839.1 Ų39.167%0.67419%0.192SC*.Hα-helixtrans-55.4-35.517571-97.5000112I215 V225 L226I215-W222 HydrophobicContact CD1-CB 4.13Å; W222-V225 WeakPolarHBondContact O-CB 3.5Å; W222-V225 PolarHBondContact O-N 3.25Å; W222-L226 HydrophobicContact CZ3-CD2 3.9Å; W222-L226 PolarHBondContact O-N 3.02Å
223S98.2Very high98Very high27 Ų2736.4 Ų36.419%0.18918%0.184CC..Hα-helixtrans-70.9-29.2177.539.40000113.3R124 H221 V225 G227R124-S223 PolarHBondContact NH1-OG 2.88Å; R124-S223 PolarHBondContact NH2-OG 3.05Å; H221-S223 PolarHBondContact O-N 3.41Å; S223-V225 VanDerWaalsContact C-N 3.34Å; S223-G227 PolarHBondContact O-N 2.98Å
224D98.4Very high98Very high0 Ų042.3 Ų42.30%021%0.208CC..Hα-helixtrans-68.6-38.6172.7-55.6-26.9000110.8R124 S162 F163 S165 H220 H221 G228R124-D224 VanDerWaalsContact CD-OD1 3.26Å; R124-D224 WeakPolarHBondContact CD-OD1 3.3Å; R124-D224 IonicContact CZ-OD1 3.59Å; R124-D224 IonicContact NE-OD1 3.37Å; R124-D224 IonicContact NH1-OD1 2.66Å; R124-D224 PolarHBondContact NH1-OD1 3.21Å; S162-D224 WeakPolarHBondContact CB-OD2 3.41Å; S162-D224 WeakPolarHBondContact O-CB 3.32Å; S162-D224 PolarHBondContact OG-OD2 3.03Å; F163-D224 WeakPolarHBondContact CB-OD1 3.39Å; F163-D224 HydrophobicContact CD2-CB 4.33Å; F163-D224 VanDerWaalsContact CD2-OD1 3.3Å; F163-D224 WeakPolarHBondContact CD2-OD1 3.24Å; S165-D224 VanDerWaalsContact CB-O 3.26Å; S165-D224 WeakPolarHBondContact CB-O 3.28Å; S165-D224 PolarHBondContact N-O 2.86Å; H220-D224 HydrophobicContact CB-CB 3.92Å; H220-D224 IonicContact ND1-OD2 3.97Å; H221-D224 WeakPolarHBondContact CB-OD2 3.09Å; H221-D224 IonicContact CG-OD2 3.68Å; H221-D224 PolarHBondContact N-OD2 3.35Å; H221-D224 IonicContact ND1-OD2 3.13Å; H221-D224 PolarHBondContact ND1-OD2 3.47Å; H221-D224 VanDerWaalsContact ND1-OD2 3.13Å; H221-D224 WeakPolarHBondContact O-CB 3.41Å; H221-D224 PolarHBondContact O-N 3.46Å; D224-G228 PolarHBondContact O-N 3.28Å
225V98.6Very high98Very high17 Ų1742.9 Ų42.910%0.10321%0.212CC..Hα-helixtrans-65.9-47.3175175.50000110.3T168 R214 I215 H220 H221 W222 S223 G228 G229T168-V225 HydrophobicContact CG2-CG1 3.81Å; T168-V225 WeakPolarHBondContact CG2-O 3.31Å; R214-V225 HydrophobicContact CB-CG2 4Å; I215-V225 HydrophobicContact CD1-CB 4.48Å; I215-V225 HydrophobicContact CD1-CG2 4.27Å; I215-V225 HydrophobicContact CG1-CG2 3.78Å; H220-V225 HydrophobicContact CB-CG2 4.05Å; H221-V225 PolarHBondContact O-N 2.95Å; H221-V225 VanDerWaalsContact O-N 3.16Å; W222-V225 WeakPolarHBondContact O-CB 3.5Å; W222-V225 PolarHBondContact O-N 3.25Å; S223-V225 VanDerWaalsContact C-N 3.34Å; V225-G228 PolarHBondContact O-N 3.42Å; V225-G229 PolarHBondContact O-N 3.15Å
226L98.5Very high98Very high94 Ų9440 Ų4049%0.49220%0.197SC..Hα-helixtrans-60-48.3175.6-179.662.4000111.9W222 G228 G229 L230W222-L226 HydrophobicContact CZ3-CD2 3.9Å; W222-L226 PolarHBondContact O-N 3.02Å; L226-G228 VanDerWaalsContact C-N 3.32Å; L226-G228 PolarHBondContact O-N 3.36Å; L226-G229 PolarHBondContact O-N 2.65Å; L226-G229 VanDerWaalsContact O-N 3.15Å; L226-L230 HydrophobicContact CD1-CD1 4.41Å; L226-L230 HydrophobicContact CD1-CG 4.31Å; L226-L230 HydrophobicContact CG-CD1 4.25Å; L226-L230 WeakPolarHBondContact O-CG 3.39Å; L226-L230 PolarHBondContact O-N 3.42Å
227G98.6Very high97.9Very high15 Ų1538 Ų3816%0.15519%0.187CC..Hα-helixtrans-61-40.217800000112.6S223 L231S223-G227 PolarHBondContact O-N 2.98Å; G227-L231 WeakPolarHBondContact O-CB 3.48Å; G227-L231 PolarHBondContact O-N 3.32Å
228G98.7Very high97.8Very high0 Ų040.5 Ų40.50%021%0.206CC..Hα-helixtrans-62.7-45.3172.400000112.2S169 D224 V225 L226 L231 G232S169-G228 WeakPolarHBondContact CA-O 3.46Å; S169-G228 WeakPolarHBondContact CB-O 3.19Å; D224-G228 PolarHBondContact O-N 3.28Å; V225-G228 PolarHBondContact O-N 3.42Å; L226-G228 VanDerWaalsContact C-N 3.32Å; L226-G228 PolarHBondContact O-N 3.36Å; G228-L231 PolarHBondContact O-N 2.96Å; G228-G232 PolarHBondContact O-N 2.94Å
229G98.7Very high97.5Very high13 Ų1340.4 Ų40.413%0.13421%0.205CC..Hα-helixtrans-61.7-45.517800000113.1I172 V225 L226 G232 F233I172-G229 WeakPolarHBondContact CG2-O 3.37Å; V225-G229 PolarHBondContact O-N 3.15Å; L226-G229 PolarHBondContact O-N 2.65Å; L226-G229 VanDerWaalsContact O-N 3.15Å; G229-G232 PolarHBondContact O-N 3.14Å; G229-F233 VanDerWaalsContact O-CB 3.29Å; G229-F233 WeakPolarHBondContact O-CB 3.41Å; G229-F233 PolarHBondContact O-N 2.95Å
230L98.7Very high97Very high84 Ų8442 Ų4244%0.4421%0.214SC..Hα-helixtrans-61.6-44.1175.6-70.2175.5000111.7L226 F233 F234L226-L230 HydrophobicContact CD1-CD1 4.41Å; L226-L230 HydrophobicContact CD1-CG 4.31Å; L226-L230 HydrophobicContact CG-CD1 4.25Å; L226-L230 WeakPolarHBondContact O-CG 3.39Å; L226-L230 PolarHBondContact O-N 3.42Å; L230-F233 PolarHBondContact O-N 3.12Å; L230-F234 HydrophobicContact CB-CD2 4.46Å; L230-F234 HydrophobicContact CB-CE2 4.38Å; L230-F234 HydrophobicContact CD2-CE2 4.36Å; L230-F234 WeakPolarHBondContact O-CD2 3.24Å; L230-F234 PolarHBondContact O-N 2.82Å
231L98.6Very high96.2Very high34 Ų3450.6 Ų50.618%0.17825%0.247CC..Hα-helixtrans-57.8-52.4176-173.6160.1000110.8T111 L114 P164 G227 G228 F233 F234 V235T111-L231 HydrophobicContact CG2-CD2 3.81Å; L114-L231 HydrophobicContact CB-CD1 4.07Å; L114-L231 HydrophobicContact CB-CD2 4.27Å; L114-L231 HydrophobicContact CB-CG 4.47Å; P164-L231 HydrophobicContact CG-CD1 4.01Å; G227-L231 WeakPolarHBondContact O-CB 3.48Å; G227-L231 PolarHBondContact O-N 3.32Å; G228-L231 PolarHBondContact O-N 2.96Å; L231-F233 VanDerWaalsContact C-N 3.31Å; L231-F233 PolarHBondContact O-N 3.12Å; L231-F234 PolarHBondContact O-N 2.94Å; L231-V235 HydrophobicContact CD2-CG2 4.02Å; L231-V235 VanDerWaalsContact O-CG2 3.29Å; L231-V235 WeakPolarHBondContact O-CG2 3.42Å; L231-V235 PolarHBondContact O-N 3.26Å
232G98.7Very high95.3Very high0 Ų057.6 Ų57.60%027%0.274CS..Hα-helixtrans-60.2-40.517900000112.8S169 Y173 G228 G229 A236S169-G232 WeakPolarHBondContact O-CA 3.48Å; Y173-G232 WeakPolarHBondContact CA-O 3.4Å; G228-G232 PolarHBondContact O-N 2.94Å; G229-G232 PolarHBondContact O-N 3.14Å; G232-A236 WeakPolarHBondContact O-CB 3.37Å; G232-A236 PolarHBondContact O-N 3.12Å
233F98.5Very high94.4Very high76 Ų7649.3 Ų49.333%0.33324%0.243SC..Hα-helixtrans-61.2-51.4176.6174.9-97.6000112.1I172 I176 G229 L230 L231 A236 L237I172-F233 HydrophobicContact CG2-CB 4.22Å; I176-F233 HydrophobicContact CD1-CD2 3.92Å; I176-F233 HydrophobicContact CD1-CE2 4.36Å; I176-F233 HydrophobicContact CG1-CD2 3.93Å; I176-F233 HydrophobicContact CG2-CD2 4.12Å; I176-F233 HydrophobicContact CG2-CE2 4.48Å; G229-F233 VanDerWaalsContact O-CB 3.29Å; G229-F233 WeakPolarHBondContact O-CB 3.41Å; G229-F233 PolarHBondContact O-N 2.95Å; L230-F233 PolarHBondContact O-N 3.12Å; L231-F233 VanDerWaalsContact C-N 3.31Å; L231-F233 PolarHBondContact O-N 3.12Å; F233-A236 PolarHBondContact O-N 3.13Å; F233-L237 HydrophobicContact CD1-CD1 3.98Å; F233-L237 HydrophobicContact CE1-CD1 3.34Å; F233-L237 HydrophobicContact CE1-CG 4.22Å; F233-L237 HydrophobicContact CE2-CD1 4.34Å; F233-L237 HydrophobicContact CZ-CD1 3.56Å; F233-L237 HydrophobicContact CZ-CG 4.2Å; F233-L237 WeakPolarHBondContact O-CG 3.48Å; F233-L237 PolarHBondContact O-N 2.78Å
234F98.2Very high93.1Very high129 Ų12949.9 Ų49.957%0.56625%0.246SC*.Hα-helixtrans-68.5-36.3-179.1-73.9-61.3000112.6L230 L231 L237 S238L230-F234 HydrophobicContact CB-CD2 4.46Å; L230-F234 HydrophobicContact CB-CE2 4.38Å; L230-F234 HydrophobicContact CD2-CE2 4.36Å; L230-F234 WeakPolarHBondContact O-CD2 3.24Å; L230-F234 PolarHBondContact O-N 2.82Å; L231-F234 PolarHBondContact O-N 2.94Å; F234-L237 HydrophobicContact CD1-CD1 4.34Å; F234-L237 PolarHBondContact O-N 3.3Å; F234-S238 PolarHBondContact O-N 2.88Å
235V98Very high91.8Very high13 Ų1350.6 Ų50.68%0.07925%0.249CC..Hα-helixtrans-63.5-44173.3176.70000110.3G107 T111 L114 Y173 L231 L237 S238 T239G107-V235 WeakPolarHBondContact O-CG1 3.31Å; T111-V235 VanDerWaalsContact OG1-CG1 3.26Å; T111-V235 WeakPolarHBondContact OG1-CG1 3.29Å; L114-V235 HydrophobicContact CD1-CG2 3.71Å; Y173-V235 HydrophobicContact CD2-CB 4.26Å; Y173-V235 HydrophobicContact CD2-CG1 3.96Å; Y173-V235 HydrophobicContact CE2-CG1 4.03Å; L231-V235 HydrophobicContact CD2-CG2 4.02Å; L231-V235 VanDerWaalsContact O-CG2 3.29Å; L231-V235 WeakPolarHBondContact O-CG2 3.42Å; L231-V235 PolarHBondContact O-N 3.26Å; V235-L237 PolarHBondContact O-N 3.04Å; V235-S238 PolarHBondContact O-N 2.95Å; V235-S238 VanDerWaalsContact O-N 3.14Å; V235-S238 PolarHBondContact O-OG 3.19Å; V235-T239 HydrophobicContact CG1-CG2 4.49Å; V235-T239 WeakPolarHBondContact O-CG2 3.19Å; V235-T239 PolarHBondContact O-N 3.41Å
236A97.7Very high90.2Very high0 Ų051.6 Ų51.60%026%0.255CS..Hα-helixtrans-60.7-43176.100000112.3Y173 I176 F177 G232 F233 S238 T239 L240Y173-A236 HydrophobicContact CD2-CB 3.83Å; Y173-A236 HydrophobicContact CE2-CB 4.13Å; I176-A236 HydrophobicContact CB-CB 3.77Å; I176-A236 HydrophobicContact CG2-CB 3.61Å; F177-A236 HydrophobicContact CB-CB 4.37Å; G232-A236 WeakPolarHBondContact O-CB 3.37Å; G232-A236 PolarHBondContact O-N 3.12Å; F233-A236 PolarHBondContact O-N 3.13Å; A236-S238 VanDerWaalsContact C-N 3.34Å; A236-S238 PolarHBondContact O-N 3.1Å; A236-T239 PolarHBondContact O-N 3.29Å; A236-T239 PolarHBondContact O-OG1 3.25Å; A236-L240 PolarHBondContact O-N 3.49Å
237L95.5Very high88.6Confident60 Ų6049.6 Ų49.631%0.31425%0.252SS..Hα-helixtrans-61-41.5173.2-71.7-178.8000112.3L180 F233 F234 V235 T239 L240L180-L237 HydrophobicContact CD1-CD2 4.17Å; F233-L237 HydrophobicContact CD1-CD1 3.98Å; F233-L237 HydrophobicContact CE1-CD1 3.34Å; F233-L237 HydrophobicContact CE1-CG 4.22Å; F233-L237 HydrophobicContact CE2-CD1 4.34Å; F233-L237 HydrophobicContact CZ-CD1 3.56Å; F233-L237 HydrophobicContact CZ-CG 4.2Å; F233-L237 WeakPolarHBondContact O-CG 3.48Å; F233-L237 PolarHBondContact O-N 2.78Å; F234-L237 HydrophobicContact CD1-CD1 4.34Å; F234-L237 PolarHBondContact O-N 3.3Å; V235-L237 PolarHBondContact O-N 3.04Å; L237-T239 VanDerWaalsContact C-N 3.26Å; L237-T239 PolarHBondContact O-N 3.47Å; L237-L240 WeakPolarHBondContact O-CB 3.37Å; L237-L240 PolarHBondContact O-N 3.42Å; L237-L240 VanDerWaalsContact O-N 3.16Å
238S93.6Very high87Confident59 Ų5952.6 Ų52.641%0.41327%0.265SS..Hα-helixtrans-64.2-32.2178.275.60000112.6F234 V235 A236 L240 Y242F234-S238 PolarHBondContact O-N 2.88Å; V235-S238 PolarHBondContact O-N 2.95Å; V235-S238 VanDerWaalsContact O-N 3.14Å; V235-S238 PolarHBondContact O-OG 3.19Å; A236-S238 VanDerWaalsContact C-N 3.34Å; A236-S238 PolarHBondContact O-N 3.1Å; S238-L240 PolarHBondContact O-N 3.4Å; S238-Y242 WeakPolarHBondContact O-CD2 3.23Å
239T91.6Very high85.2Confident10 Ų1055.7 Ų55.76%0.06128%0.28CS..Hα-helixtrans-72.8-18.5178.159.50000113.2V103 Y173 V235 A236 L237 Y241 Y242 L243V103-T239 WeakPolarHBondContact CG1-O 3.47Å; Y173-T239 HydrophobicContact CE2-CG2 4.19Å; V235-T239 HydrophobicContact CG1-CG2 4.49Å; V235-T239 WeakPolarHBondContact O-CG2 3.19Å; V235-T239 PolarHBondContact O-N 3.41Å; A236-T239 PolarHBondContact O-N 3.29Å; A236-T239 PolarHBondContact O-OG1 3.25Å; L237-T239 VanDerWaalsContact C-N 3.26Å; L237-T239 PolarHBondContact O-N 3.47Å; T239-Y241 VanDerWaalsContact C-N 3.28Å; T239-Y241 PolarHBondContact O-N 3.35Å; T239-Y242 PolarHBondContact O-N 3.38Å; T239-Y242 VanDerWaalsContact O-N 3.12Å; T239-L243 PolarHBondContact O-N 3.14Å
240L85.6Confident83.5Confident42 Ų4261.9 Ų61.922%0.2231%0.306CS..Hα-helixtrans-55.3-44178.4-172.163.7000111.8L180 L184 A236 L237 S238 Y242 L243 V246L180-L240 HydrophobicContact CB-CD1 4.04Å; L180-L240 HydrophobicContact CD1-CD1 4.24Å; L180-L240 HydrophobicContact CD2-CD1 4.25Å; L180-L240 HydrophobicContact CD2-CD2 4.4Å; L180-L240 HydrophobicContact CG-CD1 4.4Å; L184-L240 HydrophobicContact CD1-CD1 3.37Å; L184-L240 HydrophobicContact CD1-CG 4.48Å; L184-L240 HydrophobicContact CG-CD1 4.21Å; A236-L240 PolarHBondContact O-N 3.49Å; L237-L240 WeakPolarHBondContact O-CB 3.37Å; L237-L240 PolarHBondContact O-N 3.42Å; L237-L240 VanDerWaalsContact O-N 3.16Å; S238-L240 PolarHBondContact O-N 3.4Å; L240-Y242 PolarHBondContact O-N 3.42Å; L240-Y242 VanDerWaalsContact O-N 3.14Å; L240-L243 HydrophobicContact CD1-CD1 4.06Å; L240-L243 WeakPolarHBondContact O-CB 3Å; L240-L243 PolarHBondContact O-N 3.23Å; L240-V246 HydrophobicContact CD1-CG2 4.46Å; L240-V246 HydrophobicContact CG-CG2 4.31Å; L240-V246 WeakPolarHBondContact O-CG2 3.43Å
241Y80.1Confident81.8Confident187 Ų18764.3 Ų64.373%0.73332%0.32SS*.THydrogen-bonded Turntrans-60.1-25.4-178.7-70.8-74.3000113.7T239T239-Y241 VanDerWaalsContact C-N 3.28Å; T239-Y241 PolarHBondContact O-N 3.35Å
242Y80.1Confident80Confident171 Ų17166 Ų6667%0.67133%0.334SS*.THydrogen-bonded Turntrans-94.7-6.4-178.7-56.6-77.2000112.6V103 S238 T239 L240V103-Y242 VanDerWaalsContact CG2-O 3.28Å; V103-Y242 WeakPolarHBondContact CG2-O 3.27Å; S238-Y242 WeakPolarHBondContact O-CD2 3.23Å; T239-Y242 PolarHBondContact O-N 3.38Å; T239-Y242 VanDerWaalsContact O-N 3.12Å; L240-Y242 PolarHBondContact O-N 3.42Å; L240-Y242 VanDerWaalsContact O-N 3.14Å
243L78.5Confident78.2Confident4 Ų471.2 Ų71.22%0.02136%0.361CS..SBendtrans-66128.9172-77.4172.4000109V103 F177 L184 T239 L240 Y245 V246V103-L243 HydrophobicContact CB-CD2 4.41Å; V103-L243 HydrophobicContact CG1-CD2 4.21Å; V103-L243 HydrophobicContact CG1-CG 4.31Å; F177-L243 HydrophobicContact CE2-CD2 4.26Å; F177-L243 HydrophobicContact CZ-CD2 4.09Å; L184-L243 HydrophobicContact CD1-CD1 4.03Å; T239-L243 PolarHBondContact O-N 3.14Å; L240-L243 HydrophobicContact CD1-CD1 4.06Å; L240-L243 WeakPolarHBondContact O-CB 3Å; L240-L243 PolarHBondContact O-N 3.23Å; L243-Y245 HydrophobicContact CB-CD2 4.38Å; L243-Y245 HydrophobicContact CD2-CE2 4.47Å; L243-Y245 PolarHBondContact O-N 3.06Å; L243-V246 HydrophobicContact CB-CG2 4.44Å; L243-V246 PolarHBondContact O-N 3.07Å; L243-V246 VanDerWaalsContact O-N 3.12Å
244P71.4Confident76.2Confident40 Ų4072 Ų7226%0.2637%0.374SS..Hα-helixtrans-59.9-15.5-17523-34.6000113.7D99D99-P244 HydrophobicContact CB-CB 4.5Å; D99-P244 HydrophobicContact CB-CG 3.78Å
245Y71Confident74.3Confident14 Ų1471 Ų716%0.05538%0.379CS..Hα-helixtrans-84-16-175.8-41.6-46.1000113.9E75 P96 S100 Y181 R185 L243 I249E75-Y245 PolarHBondContact OE1-OH 3.18Å; E75-Y245 VanDerWaalsContact OE1-OH 3.04Å; P96-Y245 HydrophobicContact CB-CE1 4.43Å; P96-Y245 WeakPolarHBondContact CB-OH 3.43Å; P96-Y245 PolarHBondContact O-OH 3.31Å; S100-Y245 PolarHBondContact OG-OH 3.45Å; Y181-Y245 HydrophobicContact CD2-CE2 4.36Å; Y181-Y245 HydrophobicContact CE2-CE2 4.11Å; R185-Y245 VanDerWaalsContact CD-CD2 3.47Å; R185-Y245 VanDerWaalsContact CD-CE2 3.5Å; R185-Y245 HydrophobicContact CG-CD2 3.89Å; R185-Y245 HydrophobicContact CG-CE2 3.81Å; R185-Y245 VanDerWaalsContact CZ-OH 3.27Å; R185-Y245 VanDerWaalsContact NE-CE1 3.29Å; R185-Y245 PolarHBondContact NE-OH 3.46Å; R185-Y245 PolarHBondContact NH2-OH 3.47Å; L243-Y245 HydrophobicContact CB-CD2 4.38Å; L243-Y245 HydrophobicContact CD2-CE2 4.47Å; L243-Y245 PolarHBondContact O-N 3.06Å; Y245-I249 WeakPolarHBondContact O-CG1 3.48Å; Y245-I249 PolarHBondContact O-N 3.12Å
246V64.9Low72.5Confident39 Ų3976.7 Ų76.724%0.23642%0.418CS..Hα-helixtrans-70.7-42.2179.6176.30000110.6L184 L240 L243 D248 I249 E250L184-V246 HydrophobicContact CD1-CG2 3.87Å; L240-V246 HydrophobicContact CD1-CG2 4.46Å; L240-V246 HydrophobicContact CG-CG2 4.31Å; L240-V246 WeakPolarHBondContact O-CG2 3.43Å; L243-V246 HydrophobicContact CB-CG2 4.44Å; L243-V246 PolarHBondContact O-N 3.07Å; L243-V246 VanDerWaalsContact O-N 3.12Å; V246-D248 VanDerWaalsContact C-N 3.29Å; V246-D248 PolarHBondContact O-N 2.99Å; V246-I249 WeakPolarHBondContact O-CB 3.45Å; V246-I249 PolarHBondContact O-N 3.37Å; V246-E250 PolarHBondContact O-N 3.03Å
247A64.1Low70.5Confident52 Ų5287.1 Ų87.143%0.4346%0.457SS..Hα-helixtrans-61.2-38175.300000112.2I249 E250 N251A247-I249 VanDerWaalsContact C-N 3.29Å; A247-I249 PolarHBondContact O-N 3.07Å; A247-E250 PolarHBondContact O-N 3.23Å; A247-N251 PolarHBondContact O-N 3.35Å; A247-N251 PolarHBondContact O-ND2 3.35Å; A247-N251 VanDerWaalsContact O-ND2 3.12Å
248D65.4Low68.3Low78 Ų7890.4 Ų90.442%0.41748%0.475SS..Hα-helixtrans-63.9-34.4174.8-72.8-17.8000112.3V246 S252V246-D248 VanDerWaalsContact C-N 3.29Å; V246-D248 PolarHBondContact O-N 2.99Å; D248-S252 WeakPolarHBondContact O-CB 3.38Å; D248-S252 PolarHBondContact O-N 2.63Å; D248-S252 VanDerWaalsContact O-N 3.12Å; D248-S252 PolarHBondContact O-OG 2.97Å
249I61.2Low66.4Low64 Ų6495.7 Ų95.733%0.32850%0.499SS..Hα-helixtrans-69-46.3175.9-69.4166000110.2L184 Y245 V246 A247 N251 S252 L253L184-I249 HydrophobicContact CD2-CD1 3.64Å; Y245-I249 WeakPolarHBondContact O-CG1 3.48Å; Y245-I249 PolarHBondContact O-N 3.12Å; V246-I249 WeakPolarHBondContact O-CB 3.45Å; V246-I249 PolarHBondContact O-N 3.37Å; A247-I249 VanDerWaalsContact C-N 3.29Å; A247-I249 PolarHBondContact O-N 3.07Å; I249-N251 VanDerWaalsContact C-N 3.28Å; I249-N251 PolarHBondContact O-N 3.42Å; I249-S252 PolarHBondContact O-N 3.36Å; I249-L253 WeakPolarHBondContact O-CG 3.36Å; I249-L253 PolarHBondContact O-N 3.04Å
250E63.1Low64.3Low143 Ų143103.5 Ų103.567%0.66853%0.534SS*.Hα-helixtrans-59.2-40.7178.9-166.8167.9-170.100111.7V246 A247 S252V246-E250 PolarHBondContact O-N 3.03Å; A247-E250 PolarHBondContact O-N 3.23Å; E250-S252 VanDerWaalsContact C-N 3.31Å; E250-S252 PolarHBondContact O-N 3.12Å
251N62Low62.6Low136 Ų136106 Ų10673%0.72755%0.551SS**Hα-helixtrans-72.7-18.9174.3-68.7-37.4000114.2A247 I249A247-N251 PolarHBondContact O-N 3.35Å; A247-N251 PolarHBondContact O-ND2 3.35Å; A247-N251 VanDerWaalsContact O-ND2 3.12Å; I249-N251 VanDerWaalsContact C-N 3.28Å; I249-N251 PolarHBondContact O-N 3.42Å
252S61.6Low60.7Low69 Ų69102.8 Ų102.848%0.48355%0.551SS.*Hα-helixtrans-91.8-15178.7-56.90000113R188 D248 I249 E250R188-S252 PolarHBondContact NH1-OG 3.44Å; D248-S252 WeakPolarHBondContact O-CB 3.38Å; D248-S252 PolarHBondContact O-N 2.63Å; D248-S252 VanDerWaalsContact O-N 3.12Å; D248-S252 PolarHBondContact O-OG 2.97Å; I249-S252 PolarHBondContact O-N 3.36Å; E250-S252 VanDerWaalsContact C-N 3.31Å; E250-S252 PolarHBondContact O-N 3.12Å
253L59.6Low58.8Low110 Ų11099.9 Ų99.958%0.57655%0.546SS*.SBendtrans-67.6132.3177.1-74.5166.7000108.7I249 T255I249-L253 WeakPolarHBondContact O-CG 3.36Å; I249-L253 PolarHBondContact O-N 3.04Å; L253-T255 PolarHBondContact O-N 3.36Å
254P57.6Low56.9Low93 Ų93106.4 Ų106.460%0.60458%0.577SS**  trans-60.5111.7172.623.9-30.2000107.8C256P254-C256 PolarHBondContact O-N 3.05Å
255T57.9Low55.3Low107 Ų107113.7 Ų113.766%0.65660%0.6SS**  trans-58.8128.9163.953.70000106.1L253 R257L253-T255 PolarHBondContact O-N 3.36Å; T255-R257 PolarHBondContact O-N 3.07Å
256C59.7Low53.7Low133 Ų133121 Ų12190%0.89963%0.633SS**THydrogen-bonded Turntrans-64.961.4175.2-67.10000111.4P254P254-C256 PolarHBondContact O-N 3.05Å
257R56.2Low52.1Low218 Ų218124 Ų12482%0.82365%0.653SS**THydrogen-bonded Turntrans-132.8-6.6175.7-138.4-178-134-166.84.3113.2T255T255-R257 PolarHBondContact O-N 3.07Å
258D48.9Very low51.2Low130 Ų130130 Ų13070%0.69567%0.674SS**SBendtrans-111.5111166.1-70.3-37.6000108.5Q260D258-Q260 PolarHBondContact O-N 2.88Å
259D54.1Low49.7Very low170 Ų170132.9 Ų132.991%0.90969%0.689SS**SBendtrans-6636.6-179.7-73.5-34.3000113.9
260Q47.1Very low48.5Very low174 Ų174137 Ų13781%0.81371%0.712SS**  trans-139.359.3178.5-65.8-167.3-11.300111.5D258 T262D258-Q260 PolarHBondContact O-N 2.88Å; Q260-T262 VanDerWaalsContact C-N 3.34Å; Q260-T262 PolarHBondContact O-N 3.2Å; Q260-T262 VanDerWaalsContact O-N 3.12Å
261V50.5Low47.1Very low93 Ų93141.1 Ų141.156%0.56472%0.723SS**  trans-79.988.3163-1760000108.2I263V261-I263 HydrophobicContact CG1-CG1 3.81Å; V261-I263 PolarHBondContact O-N 2.94Å
262T39.2Very low45.7Very low121 Ų121142.5 Ų142.574%0.74273%0.73SS**  trans-72.299.2157.940.10000107.7Q260 E264Q260-T262 VanDerWaalsContact C-N 3.34Å; Q260-T262 PolarHBondContact O-N 3.2Å; Q260-T262 VanDerWaalsContact O-N 3.12Å; T262-E264 VanDerWaalsContact C-N 3.32Å; T262-E264 PolarHBondContact O-N 3.3Å
263I41.4Very low44.1Very low109 Ų109150.1 Ų150.156%0.55975%0.75SS**  trans-68.397.6163.7-55.9-174000106.2V261 Y265V261-I263 HydrophobicContact CG1-CG1 3.81Å; V261-I263 PolarHBondContact O-N 2.94Å; I263-Y265 HydrophobicContact CB-CD2 4.25Å; I263-Y265 HydrophobicContact CB-CE2 3.99Å; I263-Y265 HydrophobicContact CG2-CD2 3.73Å; I263-Y265 HydrophobicContact CG2-CE1 4.45Å; I263-Y265 HydrophobicContact CG2-CE2 3.52Å; I263-Y265 HydrophobicContact CG2-CG 4.29Å; I263-Y265 PolarHBondContact O-N 2.99Å
264E38.5Very low42.6Very low142 Ų142152.8 Ų152.866%0.66476%0.764SS**  trans-66.689165.4-75.4-174.9164.500108.1T262 F266T262-E264 VanDerWaalsContact C-N 3.32Å; T262-E264 PolarHBondContact O-N 3.3Å; E264-F266 VanDerWaalsContact C-N 3.34Å; E264-F266 HydrophobicContact CB-CD2 4.17Å; E264-F266 HydrophobicContact CB-CE2 4Å; E264-F266 PolarHBondContact O-N 3.17Å; E264-F266 VanDerWaalsContact O-N 3.07Å; E264-F266 VanDerWaalsContact OE2-CE2 3.24Å; E264-F266 WeakPolarHBondContact OE2-CE2 3.24Å
265Y37.8Very low41.2Very low192 Ų192151.5 Ų151.575%0.75377%0.768SS**  trans-66100.2156.6-70.6-86.1000106.5I263 P267I263-Y265 HydrophobicContact CB-CD2 4.25Å; I263-Y265 HydrophobicContact CB-CE2 3.99Å; I263-Y265 HydrophobicContact CG2-CD2 3.73Å; I263-Y265 HydrophobicContact CG2-CE1 4.45Å; I263-Y265 HydrophobicContact CG2-CE2 3.52Å; I263-Y265 HydrophobicContact CG2-CG 4.29Å; I263-Y265 PolarHBondContact O-N 2.99Å; Y265-P267 WeakPolarHBondContact O-CD 3.13Å
266F37.5Very low39.8Very low168 Ų168152.3 Ų152.374%0.73778%0.778SS**  trans-71.8110.6163.2-84.4-88000107.5E264 M268E264-F266 VanDerWaalsContact C-N 3.34Å; E264-F266 HydrophobicContact CB-CD2 4.17Å; E264-F266 HydrophobicContact CB-CE2 4Å; E264-F266 PolarHBondContact O-N 3.17Å; E264-F266 VanDerWaalsContact O-N 3.07Å; E264-F266 VanDerWaalsContact OE2-CE2 3.24Å; E264-F266 WeakPolarHBondContact OE2-CE2 3.24Å; F266-M268 PolarHBondContact O-N 3.1Å
267P31.8Very low38.3Very low102 Ų102152.7 Ų152.766%0.66278%0.776SS**  trans-64.3130.4175.527-31.7000108.8Y265 N269Y265-P267 WeakPolarHBondContact O-CD 3.13Å; P267-N269 PolarHBondContact O-N 2.64Å
268M43.3Very low37Very low177 Ų177145.2 Ų145.287%0.87277%0.766SS**SBendtrans-7414.6-174.6-125.6-90.9-77.900114F266F266-M268 PolarHBondContact O-N 3.1Å
269N35.8Very low35.8Very low139 Ų139149.5 Ų149.574%0.74377%0.774SS**  trans-130.486.8-175.8-73.3-13.6000110.3P267P267-N269 PolarHBondContact O-N 2.64Å
270D36Very low34.8Very low151 Ų151149.6 Ų149.681%0.80777%0.774SS**  trans-150.923.2157.6-104.2-12.3000113L272D270-L272 VanDerWaalsContact C-N 3.33Å
271Y33.1Very low33.8Very low230 Ų230148.2 Ų148.290%0.90277%0.772SS**SBendtrans-93.920171.4-75.1-75.3000113.7
272L32.9Very low32.9Very low165 Ų165151.9 Ų151.986%0.86479%0.789SS**  trans-137.873174-90.3115.7000111.3D270D270-L272 VanDerWaalsContact C-N 3.33Å
273Y28.3Very low32.4Very low229 Ų229155.4 Ų155.490%0.89879%0.794SS**  trans-159.9100.5133.4-132.7-102000110.2
274N28.2Very low31.8Very low166 Ų166155.4 Ų155.489%0.88880%0.803SS**  trans-60.9135163.5-80.7-30.9000109.6
275G28.2Very low31.5Very low65 Ų65155.9 Ų155.967%0.6781%0.81SS**  trans100.388.5153.100000115.7
276S27.8Very low31.1Very low124 Ų124154.9 Ų154.987%0.86781%0.812SS**  174.2131.6121.234.90000110.7G278S276-G278 PolarHBondContact O-N 3.12Å
277V28.3Very low31Very low141 Ų141157.3 Ų157.386%0.85582%0.816SS**  trans-66.3108.5174.3174.40000108.1Y279V277-Y279 HydrophobicContact CG1-CE2 4.45Å
278G27.9Very low30.9Very low61 Ų61159.8 Ų159.863%0.62982%0.824SS**  trans-127.7104.5175.800000110.8S276 L280S276-G278 PolarHBondContact O-N 3.12Å; G278-L280 PolarHBondContact O-N 2.75Å; G278-L280 VanDerWaalsContact O-N 3.1Å
279Y25.2Very low30.5Very low220 Ų220156.5 Ų156.586%0.86382%0.818SS**  trans-61.2105.2166.9-80.5-100.4000109.1V277V277-Y279 HydrophobicContact CG1-CE2 4.45Å
280L32.7Very low30.2Very low172 Ų172158.8 Ų158.890%0.90182%0.822SS**  trans-100.9105.2169.8-88159.2000109.6G278G278-L280 PolarHBondContact O-N 2.75Å; G278-L280 VanDerWaalsContact O-N 3.1Å
281N26.8Very low30.1Very low146 Ų146156.9 Ų156.978%0.78182%0.817SS**  trans-50142.3174.3-86.1-31.4000112.9K283N281-K283 PolarHBondContact O-N 2.86Å
282N30.7Very low30Very low170 Ų170151.7 Ų151.791%0.90981%0.812SS**  trans-45.995163.9-73.2-22.9000111.3
283K28.9Very low29.5Very low195 Ų195155.9 Ų155.985%0.84882%0.816SS**  trans-99.2103.8158.9-90.8-174.8175.1-179.90108.1N281 L285N281-K283 PolarHBondContact O-N 2.86Å; K283-L285 PolarHBondContact O-N 3.07Å
284S29Very low29.7Very low108 Ų108151.6 Ų151.676%0.75581%0.813SS**  trans-46.2103.4161.146.20000110.1E286S284-E286 VanDerWaalsContact C-N 3.33Å; S284-E286 PolarHBondContact O-N 3.02Å
285L32.6Very low29.5Very low153 Ų153154.5 Ų154.580%0.80181%0.812SS**  trans-73.293.5164.7-91152.8000107.5K283 R287K283-L285 PolarHBondContact O-N 3.07Å; L285-R287 VanDerWaalsContact C-N 3.28Å; L285-R287 PolarHBondContact O-N 2.87Å
286E28Very low29.5Very low171 Ų171156.9 Ų156.980%0.79982%0.818SS**  trans-56.691.5162.6-74.1-178.1152.100109S284 N288S284-E286 VanDerWaalsContact C-N 3.33Å; S284-E286 PolarHBondContact O-N 3.02Å; E286-N288 PolarHBondContact O-N 3.27Å
287R35.5Very low29.7Very low219 Ų219155.8 Ų155.883%0.82681%0.81SS**  trans-83.696.6163.1-99.6-171.8-83.6-134.7-0.2107.8L285 S289L285-R287 VanDerWaalsContact C-N 3.28Å; L285-R287 PolarHBondContact O-N 2.87Å; R287-S289 PolarHBondContact O-N 3.21Å
288N30Very low29.8Very low154 Ų154155.8 Ų155.882%0.82481%0.81SS**  trans-54.385.6161.1-92-48.7000110.1E286 K290E286-N288 PolarHBondContact O-N 3.27Å; N288-K290 VanDerWaalsContact C-N 3.33Å; N288-K290 PolarHBondContact O-N 2.81Å
289S35.5Very low29.9Very low107 Ų107160.4 Ų160.475%0.74882%0.815SS**  trans-85.976.5169600000109R287 P291R287-S289 PolarHBondContact O-N 3.21Å; S289-P291 WeakPolarHBondContact O-CD 3.36Å
290K29.7Very low30Very low188 Ų188156.9 Ų156.982%0.81781%0.812SS**  trans-74.5115.6153.3-83.3-172.5179.2177.60106.4N288N288-K290 VanDerWaalsContact C-N 3.33Å; N288-K290 PolarHBondContact O-N 2.81Å
291P32.3Very low29.9Very low111 Ų111153.5 Ų153.572%0.72180%0.802SS**  trans-64.3136.1178.626-32.2000109.2S289 R293S289-P291 WeakPolarHBondContact O-CD 3.36Å; P291-R293 PolarHBondContact O-N 3.29Å
292P30.9Very low30.2Very low121 Ų121154 Ų15479%0.78680%0.803SS**  trans-66.6124.3176.226.3-30.4000109.3V294P292-V294 PolarHBondContact O-N 3.07Å
293R23.9Very low30.2Very low253 Ų253151.7 Ų151.796%0.95579%0.79SS**  trans-71.7109.9163.8-78.4-179-179.4178.6-0.3107.8P291P291-R293 PolarHBondContact O-N 3.29Å
294V31.4Very low30.4Very low138 Ų138148.4 Ų148.484%0.83679%0.791SS**  trans-129140160.5-176.10000109.7P292P292-V294 PolarHBondContact O-N 3.07Å
295R24.6Very low30.4Very low228 Ų228153.2 Ų153.286%0.8679%0.793SS**  trans-81.1142-154-160.4175.3-170.9175.80.5111.6S297R295-S297 PolarHBondContact O-N 3.35Å
296S27.3Very low30.4Very low114 Ų114153.6 Ų153.680%0.79780%0.795SS**  trans-55.4118.6165.753.20000111.6
297S31.6Very low30.6Very low101 Ų101155.7 Ų155.771%0.70680%0.797SS**  trans-174.6139.6145.858.20000111.9R295R295-S297 PolarHBondContact O-N 3.35Å
298V31.7Very low30.8Very low141 Ų141156.4 Ų156.486%0.85582%0.815SS**  trans83.8124.5161.3-163.30000115.3
299H28.8Very low30.9Very low159 Ų159156.6 Ų156.674%0.73681%0.814SS**  cis-176.3142.9-17.2-17450.9000103.9S301H299-S301 PolarHBondContact O-N 3.27Å
300N29.1Very low30.6Very low146 Ų146159.2 Ų159.278%0.78182%0.818SS**  trans-27.5117.7165.7-66.3-36000114.8
301S30.4Very low30.7Very low100 Ų100157.6 Ų157.670%0.69982%0.818SS**  trans-157.6147.2148.7-169.50000108.6H299H299-S301 PolarHBondContact O-N 3.27Å
302I33Very low30.6Very low158 Ų158160.3 Ų160.381%0.8182%0.823SS**SBendtrans77.150.1-166.2-39.4167.3000111.8
303I30.8Very low30.6Very low121 Ų121162.8 Ų162.862%0.62183%0.826SS**  69.287.888.2-62.3167.4000111.3R305I303-R305 VanDerWaalsContact C-N 3.28Å; I303-R305 HydrophobicContact CG2-CB 3.58Å; I303-R305 HydrophobicContact CG2-CG 4.33Å; I303-R305 PolarHBondContact O-N 3.33Å
304S31.5Very low31Very low125 Ų125156.7 Ų156.787%0.87482%0.817SS**SBendtrans-46.598.3130.7172.50000109
305R29.9Very low31Very low210 Ų210158.1 Ų158.179%0.79282%0.816SS**  trans-177.491.8155.2-92.7164.4-160.2-102.43.1106.6I303I303-R305 VanDerWaalsContact C-N 3.28Å; I303-R305 HydrophobicContact CG2-CB 3.58Å; I303-R305 HydrophobicContact CG2-CG 4.33Å; I303-R305 PolarHBondContact O-N 3.33Å
306L32.2Very low31.5Very low161 Ų161152.7 Ų152.784%0.84381%0.812SS**SBendtrans-161.494.2135.7-94.3141.4000106.8
307Y31.9Very low31.8Very low214 Ų214155.9 Ų155.984%0.83981%0.813SS**  trans37.5123.6144-61-90.7000117.5
308I41.1Very low31.8Very low235 Ų235160.9 Ų160.9100%1.20582%0.823SS**  cis-147.7027.8-69.5175.2000107.2

Retrieved 308 of 308 residues in 232.6 ms (Link to these results)

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