G4VJ83_SCHMA Loading...

Lipid phosphate phosphatase-related

AlphaFold DB , UniProt , Accession G4VJ83, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 276 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
1M63.5Low82.8Confident185 Ų185105.8 Ų105.891%0.91154%0.544SS*.  0-54.10-151.1162.671.700113.1L4 I5M1-L4 PolarHBondContact O-N 3.42Å; M1-I5 HydrophobicContact CG-CD1 3.91Å; M1-I5 HydrophobicContact CG-CG1 4.49Å; M1-I5 WeakPolarHBondContact O-CG1 3.42Å; M1-I5 PolarHBondContact O-N 2.89Å; M1-I5 VanDerWaalsContact O-N 3.13Å
2R78.5Confident83.7Confident224 Ų224100.7 Ų100.785%0.84554%0.536SS*.Hα-helixtrans-49.3-48.3178.1-69.3-174.2179.3-173-0.2116.4L4 I5 A6R2-L4 VanDerWaalsContact C-N 3.34Å; R2-L4 PolarHBondContact O-N 2.94Å; R2-I5 PolarHBondContact O-N 2.74Å; R2-A6 PolarHBondContact O-N 3.44Å
3P76.5Confident84.4Confident74 Ų7497.1 Ų97.148%0.48152%0.524SS..Hα-helixtrans-68.6-32.5-17825.4-34.5000113G7P3-G7 PolarHBondContact O-N 3.46Å
4L79.4Confident85.1Confident112 Ų11292 Ų9259%0.58650%0.497SS*.Hα-helixtrans-69.8-42.7177.7-176.3136.6000111.2M1 R2 G7 I8M1-L4 PolarHBondContact O-N 3.42Å; R2-L4 VanDerWaalsContact C-N 3.34Å; R2-L4 PolarHBondContact O-N 2.94Å; L4-G7 PolarHBondContact O-N 2.94Å; L4-I8 HydrophobicContact CD2-CD1 3.61Å; L4-I8 HydrophobicContact CG-CD1 4.34Å; L4-I8 WeakPolarHBondContact O-CG1 3.29Å; L4-I8 PolarHBondContact O-N 2.85Å
5I85.7Confident85.7Confident80 Ų8092.3 Ų92.341%0.4150%0.497SS..Hα-helixtrans-61.1-45.8174.4-65.5169.3000110.5M1 R2 G7 I8 I9M1-I5 HydrophobicContact CG-CD1 3.91Å; M1-I5 HydrophobicContact CG-CG1 4.49Å; M1-I5 WeakPolarHBondContact O-CG1 3.42Å; M1-I5 PolarHBondContact O-N 2.89Å; M1-I5 VanDerWaalsContact O-N 3.13Å; R2-I5 PolarHBondContact O-N 2.74Å; I5-G7 VanDerWaalsContact C-N 3.32Å; I5-G7 PolarHBondContact O-N 3.25Å; I5-I8 PolarHBondContact O-N 3.25Å; I5-I9 HydrophobicContact CG2-CD1 3.77Å; I5-I9 HydrophobicContact CG2-CG1 4.39Å; I5-I9 WeakPolarHBondContact O-CG1 3.13Å; I5-I9 PolarHBondContact O-N 2.04Å
6A82.9Confident86.3Confident58 Ų5889.1 Ų89.148%0.47949%0.492SS..Hα-helixtrans-60.3-40.8176.700000112.3R2 I9 R10R2-A6 PolarHBondContact O-N 3.44Å; A6-I9 PolarHBondContact O-N 3.13Å; A6-R10 WeakPolarHBondContact O-CB 3.41Å; A6-R10 PolarHBondContact O-N 3.1Å
7G84.5Confident86.7Confident33 Ų3391.3 Ų91.334%0.3450%0.496SS..Hα-helixtrans-61.1-44.6174.100000113.1P3 L4 I5 R10 V11P3-G7 PolarHBondContact O-N 3.46Å; L4-G7 PolarHBondContact O-N 2.94Å; I5-G7 VanDerWaalsContact C-N 3.32Å; I5-G7 PolarHBondContact O-N 3.25Å; G7-R10 PolarHBondContact O-N 3.12Å; G7-V11 WeakPolarHBondContact O-CG2 3.42Å; G7-V11 PolarHBondContact O-N 2.86Å
8I88.2Confident87.2Confident109 Ų10987.2 Ų87.256%0.55947%0.474SS*.Hα-helixtrans-63.4-44.7176.9-67.7168.8000111.1L4 I5 R10 V11 G12L4-I8 HydrophobicContact CD2-CD1 3.61Å; L4-I8 HydrophobicContact CG-CD1 4.34Å; L4-I8 WeakPolarHBondContact O-CG1 3.29Å; L4-I8 PolarHBondContact O-N 2.85Å; I5-I8 PolarHBondContact O-N 3.25Å; I8-R10 VanDerWaalsContact C-N 3.32Å; I8-R10 PolarHBondContact O-N 3.41Å; I8-V11 PolarHBondContact O-N 2.9Å; I8-G12 PolarHBondContact O-N 2.94Å
9I90.4Very high87.7Confident111 Ų11184.9 Ų84.957%0.56947%0.468SS*.Hα-helixtrans-60.8-44.1177.7-68.4168.7000110.5I5 A6 G12 S13I5-I9 HydrophobicContact CG2-CD1 3.77Å; I5-I9 HydrophobicContact CG2-CG1 4.39Å; I5-I9 WeakPolarHBondContact O-CG1 3.13Å; I5-I9 PolarHBondContact O-N 2.04Å; A6-I9 PolarHBondContact O-N 3.13Å; I9-G12 PolarHBondContact O-N 2.85Å; I9-S13 VanDerWaalsContact O-CB 3.3Å; I9-S13 WeakPolarHBondContact O-CB 3.28Å; I9-S13 PolarHBondContact O-N 3.21Å
10R89.7Confident88.1Confident121 Ų12183.4 Ų83.446%0.45747%0.466SS..Hα-helixtrans-59.7-53.8177.2-180-179.3174.7-164.1-4.1111.6A6 G7 I8 G12 S13 D14 D99A6-R10 WeakPolarHBondContact O-CB 3.41Å; A6-R10 PolarHBondContact O-N 3.1Å; G7-R10 PolarHBondContact O-N 3.12Å; I8-R10 VanDerWaalsContact C-N 3.32Å; I8-R10 PolarHBondContact O-N 3.41Å; R10-G12 VanDerWaalsContact C-N 3.32Å; R10-G12 PolarHBondContact O-N 3.37Å; R10-S13 WeakPolarHBondContact O-CB 3.36Å; R10-S13 PolarHBondContact O-N 3.48Å; R10-D14 VanDerWaalsContact O-CG 3.22Å; R10-D14 PolarHBondContact O-N 3.42Å; R10-D99 IonicContact CZ-OD1 2.64Å; R10-D99 IonicContact NH1-OD1 3.6Å; R10-D99 VanDerWaalsContact NH2-CG 3.25Å; R10-D99 IonicContact NH2-OD1 3.61Å; R10-D99 PolarHBondContact NH2-OD1 3.21Å; R10-D99 IonicContact NH2-OD2 3.4Å; R10-D99 PolarHBondContact NH2-OD2 3.03Å
11V91.6Very high88.4Confident57 Ų5781.9 Ų81.935%0.34546%0.457SS..Hα-helixtrans-61.8-42.2180175.30000111.2G7 I8 S13 D14 L15 Y98G7-V11 WeakPolarHBondContact O-CG2 3.42Å; G7-V11 PolarHBondContact O-N 2.86Å; I8-V11 PolarHBondContact O-N 2.9Å; V11-S13 VanDerWaalsContact C-N 3.34Å; V11-S13 PolarHBondContact O-N 3.05Å; V11-D14 PolarHBondContact O-N 3.49Å; V11-L15 HydrophobicContact CG1-CD1 3.95Å; V11-L15 HydrophobicContact CG1-CG 4.31Å; V11-L15 WeakPolarHBondContact O-CB 3.36Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.29Å; V11-L15 PolarHBondContact O-N 3.44Å; V11-Y98 WeakPolarHBondContact CA-OH 3.06Å; V11-Y98 HydrophobicContact CG1-CE2 4.47Å; V11-Y98 HydrophobicContact CG2-CE1 4.38Å; V11-Y98 HydrophobicContact CG2-CE2 4.38Å
12G93.3Very high90Very high44 Ų4476.3 Ų76.345%0.45443%0.43SS..Hα-helixtrans-61.3-41.117600000112.8I8 I9 R10 G16I8-G12 PolarHBondContact O-N 2.94Å; I9-G12 PolarHBondContact O-N 2.85Å; R10-G12 VanDerWaalsContact C-N 3.32Å; R10-G12 PolarHBondContact O-N 3.37Å; G12-G16 PolarHBondContact O-N 2.85Å
13S92.9Very high90.9Very high54 Ų5470.6 Ų70.638%0.37842%0.416SS..Hα-helixtrans-62.3-52.3174.51780000111.4I9 R10 V11 L15 G16 F17I9-S13 VanDerWaalsContact O-CB 3.3Å; I9-S13 WeakPolarHBondContact O-CB 3.28Å; I9-S13 PolarHBondContact O-N 3.21Å; R10-S13 WeakPolarHBondContact O-CB 3.36Å; R10-S13 PolarHBondContact O-N 3.48Å; V11-S13 VanDerWaalsContact C-N 3.34Å; V11-S13 PolarHBondContact O-N 3.05Å; S13-L15 VanDerWaalsContact C-N 3.35Å; S13-L15 PolarHBondContact O-N 3.2Å; S13-G16 PolarHBondContact O-N 3.42Å; S13-G16 VanDerWaalsContact O-N 3.14Å; S13-F17 VanDerWaalsContact O-CD2 3.22Å; S13-F17 WeakPolarHBondContact O-CD2 3.21Å; S13-F17 PolarHBondContact O-N 3.1Å; S13-F17 WeakPolarHBondContact OG-CE2 3.28Å
14D93.7Very high91.8Very high26 Ų2669.1 Ų69.114%0.13941%0.41CS..Hα-helixtrans-55.7-49.7-179.3-63.9-23.4000111.2R10 V11 G16 F17 I18 Y98 I102R10-D14 VanDerWaalsContact O-CG 3.22Å; R10-D14 PolarHBondContact O-N 3.42Å; V11-D14 PolarHBondContact O-N 3.49Å; D14-G16 PolarHBondContact O-N 3.45Å; D14-F17 PolarHBondContact O-N 3.48Å; D14-I18 WeakPolarHBondContact O-CG1 3.27Å; D14-I18 PolarHBondContact O-N 2.92Å; D14-Y98 WeakPolarHBondContact CB-OH 3.48Å; D14-Y98 WeakPolarHBondContact OD2-CE1 3.31Å; D14-Y98 PolarHBondContact OD2-OH 2.89Å; D14-I102 HydrophobicContact CB-CD1 4.21Å; D14-I102 HydrophobicContact CB-CG2 4.1Å
15L94Very high92.6Very high97 Ų9764.2 Ų64.251%0.50838%0.384SS..Hα-helixtrans-65.4-37.7178.7-65.8179.8000112.3V11 S13 I18 A19V11-L15 HydrophobicContact CG1-CD1 3.95Å; V11-L15 HydrophobicContact CG1-CG 4.31Å; V11-L15 WeakPolarHBondContact O-CB 3.36Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.29Å; V11-L15 PolarHBondContact O-N 3.44Å; S13-L15 VanDerWaalsContact C-N 3.35Å; S13-L15 PolarHBondContact O-N 3.2Å; L15-I18 PolarHBondContact O-N 2.86Å; L15-A19 WeakPolarHBondContact O-CB 3.48Å; L15-A19 PolarHBondContact O-N 3.09Å
16G95.6Very high93.1Very high40 Ų4063.9 Ų63.941%0.41239%0.386SS..Hα-helixtrans-61.7-45.8176.700000112.6G12 S13 D14 A19 A20G12-G16 PolarHBondContact O-N 2.85Å; S13-G16 PolarHBondContact O-N 3.42Å; S13-G16 VanDerWaalsContact O-N 3.14Å; D14-G16 PolarHBondContact O-N 3.45Å; G16-A19 PolarHBondContact O-N 3.43Å; G16-A20 PolarHBondContact O-N 3.45Å
17F94.3Very high93.7Very high127 Ų12766.2 Ų66.256%0.55739%0.389SS*.Hα-helixtrans-69.6-36.9177.2-77.4-71.9000112.6S13 D14 A20 L21 F106S13-F17 VanDerWaalsContact O-CD2 3.22Å; S13-F17 WeakPolarHBondContact O-CD2 3.21Å; S13-F17 PolarHBondContact O-N 3.1Å; S13-F17 WeakPolarHBondContact OG-CE2 3.28Å; D14-F17 PolarHBondContact O-N 3.48Å; F17-A20 PolarHBondContact O-N 3.18Å; F17-L21 WeakPolarHBondContact O-CG 3.39Å; F17-L21 PolarHBondContact O-N 2.79Å; F17-F106 HydrophobicContact CB-CE1 3.55Å; F17-F106 HydrophobicContact CB-CZ 3.58Å
18I94.8Very high94.2Very high18 Ų1866.6 Ų66.69%0.09238%0.383CS..Hα-helixtrans-61.8-45.5172.4-71.5171.3000110.4D14 L15 A20 L21 I22 I102 C105 F106 F109D14-I18 WeakPolarHBondContact O-CG1 3.27Å; D14-I18 PolarHBondContact O-N 2.92Å; L15-I18 PolarHBondContact O-N 2.86Å; I18-A20 VanDerWaalsContact C-N 3.32Å; I18-A20 PolarHBondContact O-N 3.17Å; I18-L21 PolarHBondContact O-N 3.37Å; I18-I22 HydrophobicContact CG2-CD1 3.86Å; I18-I22 HydrophobicContact CG2-CG1 4.48Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 2.94Å; I18-I102 HydrophobicContact CD1-CD1 3.66Å; I18-C105 HydrophobicContact CD1-CB 3.95Å; I18-F106 HydrophobicContact CD1-CE2 4.29Å; I18-F106 HydrophobicContact CD1-CZ 4.43Å; I18-F106 HydrophobicContact CG1-CD1 4.29Å; I18-F106 HydrophobicContact CG1-CD2 4.41Å; I18-F106 HydrophobicContact CG1-CE1 3.87Å; I18-F106 HydrophobicContact CG1-CE2 4.04Å; I18-F106 HydrophobicContact CG1-CZ 3.73Å; I18-F109 HydrophobicContact CG2-CD2 4.1Å; I18-F109 HydrophobicContact CG2-CE2 3.9Å
19A96.3Very high94.3Very high44 Ų4465.6 Ų65.636%0.36438%0.376SS..Hα-helixtrans-60.2-42.7176.500000111.5L15 G16 L21 I22 I23L15-A19 WeakPolarHBondContact O-CB 3.48Å; L15-A19 PolarHBondContact O-N 3.09Å; G16-A19 PolarHBondContact O-N 3.43Å; A19-L21 VanDerWaalsContact C-N 3.35Å; A19-L21 PolarHBondContact O-N 3.23Å; A19-I22 PolarHBondContact O-N 2.92Å; A19-I23 VanDerWaalsContact O-CG1 3.28Å; A19-I23 WeakPolarHBondContact O-CG1 3.34Å; A19-I23 PolarHBondContact O-N 3.11Å
20A96.1Very high94.4Very high53 Ų5366.7 Ų66.744%0.43838%0.383SS..Hα-helixtrans-60.1-42.3175.200000112.3G16 F17 I18 I23 A24G16-A20 PolarHBondContact O-N 3.45Å; F17-A20 PolarHBondContact O-N 3.18Å; I18-A20 VanDerWaalsContact C-N 3.32Å; I18-A20 PolarHBondContact O-N 3.17Å; A20-I23 PolarHBondContact O-N 3.03Å; A20-A24 WeakPolarHBondContact O-CB 3.49Å; A20-A24 PolarHBondContact O-N 2.93Å
21L95.3Very high94.6Very high52 Ų5263.8 Ų63.827%0.27238%0.379SS..Hα-helixtrans-64.5-41175.2-74.2174.5000112.4F17 I18 A19 A24 N25 F106 F109F17-L21 WeakPolarHBondContact O-CG 3.39Å; F17-L21 PolarHBondContact O-N 2.79Å; I18-L21 PolarHBondContact O-N 3.37Å; A19-L21 VanDerWaalsContact C-N 3.35Å; A19-L21 PolarHBondContact O-N 3.23Å; L21-A24 PolarHBondContact O-N 3.13Å; L21-N25 WeakPolarHBondContact O-CB 3.44Å; L21-N25 PolarHBondContact O-N 2.99Å; L21-N25 PolarHBondContact O-ND2 2.7Å; L21-F106 HydrophobicContact CD1-CD1 3.58Å; L21-F106 HydrophobicContact CD1-CE1 3.95Å; L21-F109 HydrophobicContact CB-CB 4Å; L21-F109 HydrophobicContact CD1-CB 4.19Å
22I96Very high94.7Very high69 Ų6964.6 Ų64.635%0.35439%0.387SS..Hα-helixtrans-62.3-44.4176.3-68.5167000110.7I18 A19 N25 T26 F109I18-I22 HydrophobicContact CG2-CD1 3.86Å; I18-I22 HydrophobicContact CG2-CG1 4.48Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 2.94Å; A19-I22 PolarHBondContact O-N 2.92Å; I22-N25 PolarHBondContact O-N 3.12Å; I22-T26 WeakPolarHBondContact O-CB 3.05Å; I22-T26 PolarHBondContact O-N 3.14Å; I22-T26 PolarHBondContact O-OG1 3.45Å; I22-F109 HydrophobicContact CD1-CE1 4.15Å; I22-F109 HydrophobicContact CD1-CE2 4.08Å; I22-F109 HydrophobicContact CD1-CZ 3.75Å; I22-F109 HydrophobicContact CG1-CD1 3.9Å; I22-F109 HydrophobicContact CG1-CD2 4.37Å; I22-F109 HydrophobicContact CG1-CE1 3.59Å; I22-F109 HydrophobicContact CG1-CE2 4.1Å; I22-F109 HydrophobicContact CG1-CG 4.3Å; I22-F109 HydrophobicContact CG1-CZ 3.7Å
23I97.2Very high94.7Very high104 Ų10462.7 Ų62.753%0.53337%0.367SS..Hα-helixtrans-62.7-48.9176.9-67.6164.7000110.1A19 A20 N25 T26 I27A19-I23 VanDerWaalsContact O-CG1 3.28Å; A19-I23 WeakPolarHBondContact O-CG1 3.34Å; A19-I23 PolarHBondContact O-N 3.11Å; A20-I23 PolarHBondContact O-N 3.03Å; I23-N25 VanDerWaalsContact C-N 3.32Å; I23-N25 PolarHBondContact O-N 3.11Å; I23-T26 WeakPolarHBondContact O-CB 3.47Å; I23-T26 PolarHBondContact O-N 3.48Å; I23-T26 VanDerWaalsContact O-N 3.15Å; I23-I27 HydrophobicContact CG2-CD1 3.88Å; I23-I27 WeakPolarHBondContact O-CG1 3.15Å; I23-I27 PolarHBondContact O-N 3.5Å
24A96.3Very high94.7Very high43 Ų4367.3 Ų67.336%0.35538%0.377SS..Hα-helixtrans-57.6-44.4178.100000111.9A20 L21 T26 I27 L28A20-A24 WeakPolarHBondContact O-CB 3.49Å; A20-A24 PolarHBondContact O-N 2.93Å; L21-A24 PolarHBondContact O-N 3.13Å; A24-T26 PolarHBondContact O-N 3.1Å; A24-I27 PolarHBondContact O-N 2.56Å; A24-L28 WeakPolarHBondContact O-CB 3.35Å; A24-L28 WeakPolarHBondContact O-CG 3.44Å; A24-L28 PolarHBondContact O-N 3.43Å
25N96.5Very high94.7Very high9 Ų973.3 Ų73.35%0.04840%0.402CS..Hα-helixtrans-63-41.8176.7-71-17.3000112L21 I22 I23 I27 L28 Q29 F109 I112 G113L21-N25 WeakPolarHBondContact O-CB 3.44Å; L21-N25 PolarHBondContact O-N 2.99Å; L21-N25 PolarHBondContact O-ND2 2.7Å; I22-N25 PolarHBondContact O-N 3.12Å; I23-N25 VanDerWaalsContact C-N 3.32Å; I23-N25 PolarHBondContact O-N 3.11Å; N25-I27 VanDerWaalsContact C-N 3.32Å; N25-I27 PolarHBondContact O-N 2.97Å; N25-L28 PolarHBondContact O-N 2.87Å; N25-Q29 VanDerWaalsContact O-CG 3.3Å; N25-Q29 WeakPolarHBondContact O-CG 2.95Å; N25-Q29 PolarHBondContact O-N 3.38Å; N25-F109 PolarHBondContact ND2-O 3.29Å; N25-I112 HydrophobicContact CB-CG2 4.13Å; N25-G113 WeakPolarHBondContact OD1-CA 3.36Å; N25-G113 PolarHBondContact OD1-N 2.95Å
26T95.7Very high94.6Very high72 Ų7272.4 Ų72.444%0.44239%0.391SS..Hα-helixtrans-62.6-40.9177.3-55.90000111.2I22 I23 A24 N30I22-T26 WeakPolarHBondContact O-CB 3.05Å; I22-T26 PolarHBondContact O-N 3.14Å; I22-T26 PolarHBondContact O-OG1 3.45Å; I23-T26 WeakPolarHBondContact O-CB 3.47Å; I23-T26 PolarHBondContact O-N 3.48Å; I23-T26 VanDerWaalsContact O-N 3.15Å; A24-T26 PolarHBondContact O-N 3.1Å; T26-N30 PolarHBondContact O-ND2 2.95Å
27I95.8Very high94.4Very high107 Ų10771.1 Ų71.155%0.54938%0.378SS..Hα-helixtrans-63.5-51.1175.1-65.7166.7000110I23 A24 N25 Q29 N30 V31I23-I27 HydrophobicContact CG2-CD1 3.88Å; I23-I27 WeakPolarHBondContact O-CG1 3.15Å; I23-I27 PolarHBondContact O-N 3.5Å; A24-I27 PolarHBondContact O-N 2.56Å; N25-I27 VanDerWaalsContact C-N 3.32Å; N25-I27 PolarHBondContact O-N 2.97Å; I27-Q29 VanDerWaalsContact C-N 3.28Å; I27-Q29 PolarHBondContact O-N 2.8Å; I27-N30 PolarHBondContact O-N 2.64Å; I27-N30 VanDerWaalsContact O-N 3.08Å; I27-V31 PolarHBondContact O-N 3.4Å
28L93.6Very high94.5Very high41 Ų4165.4 Ų65.422%0.21535%0.353CS..Hα-helixtrans-58.2-36-179.5-74.7169.1000113.2A24 N25 N30 V31 D116 V117A24-L28 WeakPolarHBondContact O-CB 3.35Å; A24-L28 WeakPolarHBondContact O-CG 3.44Å; A24-L28 PolarHBondContact O-N 3.43Å; N25-L28 PolarHBondContact O-N 2.87Å; L28-N30 VanDerWaalsContact C-N 3.25Å; L28-N30 PolarHBondContact O-N 3.3Å; L28-V31 PolarHBondContact O-N 3.24Å; L28-D116 HydrophobicContact CB-CB 4.15Å; L28-V117 HydrophobicContact CD1-CG2 3.92Å; L28-V117 HydrophobicContact CD2-CG2 4.12Å
29Q91.9Very high94.5Very high88 Ų8869.9 Ų69.941%0.41137%0.372SS..Hα-helixtrans-65.1-30.3178.8-76.8178.5-1.900113.2N25 I27 D116 K161N25-Q29 VanDerWaalsContact O-CG 3.3Å; N25-Q29 WeakPolarHBondContact O-CG 2.95Å; N25-Q29 PolarHBondContact O-N 3.38Å; I27-Q29 VanDerWaalsContact C-N 3.28Å; I27-Q29 PolarHBondContact O-N 2.8Å; Q29-D116 WeakPolarHBondContact CG-OD2 3.5Å; Q29-D116 PolarHBondContact NE2-OD2 3.06Å; Q29-K161 PolarHBondContact O-NZ 3.04Å
30N92.3Very high94.3Very high134 Ų13471.4 Ų71.472%0.71737%0.373SS*.Hα-helixtrans-86.2-14.2178.6-68.2-46.7000113.5T26 I27 L28 S32T26-N30 PolarHBondContact O-ND2 2.95Å; I27-N30 PolarHBondContact O-N 2.64Å; I27-N30 VanDerWaalsContact O-N 3.08Å; L28-N30 VanDerWaalsContact C-N 3.25Å; L28-N30 PolarHBondContact O-N 3.3Å; N30-S32 PolarHBondContact O-N 3.31Å
31V93.7Very high94.1Very high61 Ų6176.9 Ų76.937%0.3739%0.39SS..SBendtrans-64.7131.8174.5175.50000110.3I27 L28 V120 K161I27-V31 PolarHBondContact O-N 3.4Å; L28-V31 PolarHBondContact O-N 3.24Å; V31-V120 HydrophobicContact CB-CG1 4.04Å; V31-V120 HydrophobicContact CG1-CB 4.19Å; V31-V120 HydrophobicContact CG1-CG1 4.04Å; V31-K161 WeakPolarHBondContact O-CE 3.35Å; V31-K161 PolarHBondContact O-NZ 3.46Å
32S92.6Very high94.1Very high74 Ų7476.1 Ų76.152%0.51739%0.386SS..PPolyproline II helixtrans-68.5129.5173.856.30000110N30N30-S32 PolarHBondContact O-N 3.31Å
33P94.4Very high94.1Very high4 Ų480.2 Ų80.23%0.02640%0.404CS..PPolyproline II helixtrans-70.1158.9178.931.2-34.3000111.6K35 R160 K161P33-K35 PolarHBondContact O-N 3.2Å; P33-R160 HydrophobicContact CB-CB 4.32Å; P33-R160 HydrophobicContact CG-CB 3.57Å; P33-K161 HydrophobicContact CB-CG 4.09Å; P33-K161 HydrophobicContact CG-CG 4.01Å
34Y93.6Very high94.1Very high150 Ų15077.6 Ų77.659%0.58840%0.395SS*.PPolyproline II helixtrans-50.5128.1171.5178.4-104.3000111.4R36 V120 G123Y34-R36 HydrophobicContact CD1-CB 4.27Å; Y34-R36 HydrophobicContact CE1-CB 4.12Å; Y34-R36 PolarHBondContact O-N 3.19Å; Y34-V120 PolarHBondContact N-O 2.99Å; Y34-G123 WeakPolarHBondContact O-CA 3.05Å
35K92Very high94.1Very high153 Ų15375.6 Ų75.667%0.66538%0.378SS*.  trans-86.993.6-178.7-68.8-176.7-177.81780109.8P33P33-K35 PolarHBondContact O-N 3.2Å
36R91.7Very high94.1Very high77 Ų7779.9 Ų79.929%0.29140%0.396SS..  trans-83.6149169.864.5177.5-86.7-176.7-13112.6Y34 G123 L125 R160Y34-R36 HydrophobicContact CD1-CB 4.27Å; Y34-R36 HydrophobicContact CE1-CB 4.12Å; Y34-R36 PolarHBondContact O-N 3.19Å; R36-G123 WeakPolarHBondContact CD-O 3.28Å; R36-G123 VanDerWaalsContact CG-O 3.3Å; R36-G123 WeakPolarHBondContact CG-O 3.25Å; R36-L125 HydrophobicContact CG-CD1 4.4Å; R36-L125 HydrophobicContact CG-CD2 3.73Å; R36-L125 HydrophobicContact CG-CG 3.82Å; R36-R160 PolarHBondContact O-NH1 3.46Å
37G92.9Very high94.2Very high13 Ų1380.8 Ų80.813%0.13439%0.394CS..  trans-79.1-177.7162.400000113V146G37-V146 CarbonylContact C-O 3.56Å; G37-V146 WeakPolarHBondContact CA-O 3.33Å
38Y95Very high94.2Very high8 Ų879.3 Ų79.33%0.03139%0.391CS..EExtended strand (participates in β ladder)trans-154.9162.7177.663.9-84.3000110.9I45 L125 F129 L130 P135 L138 V146 F149Y38-I45 HydrophobicContact CD1-CD1 4.47Å; Y38-I45 HydrophobicContact CD2-CD1 3.59Å; Y38-I45 HydrophobicContact CE2-CD1 4.35Å; Y38-I45 HydrophobicContact CG-CD1 3.68Å; Y38-L125 HydrophobicContact CD1-CD1 3.99Å; Y38-L125 HydrophobicContact CG-CD1 4.19Å; Y38-F129 HydrophobicContact CD1-CE1 4.34Å; Y38-F129 HydrophobicContact CE1-CE1 4.12Å; Y38-L130 HydrophobicContact CD2-CD2 4.45Å; Y38-L130 HydrophobicContact CE1-CD2 4.42Å; Y38-L130 HydrophobicContact CE2-CD2 3.72Å; Y38-P135 VanDerWaalsContact OH-CG 3.28Å; Y38-P135 WeakPolarHBondContact OH-CG 3.46Å; Y38-L138 WeakPolarHBondContact OH-CD2 3.35Å; Y38-V146 HydrophobicContact CD1-CB 4.49Å; Y38-V146 HydrophobicContact CE1-CB 4.16Å; Y38-V146 HydrophobicContact CE1-CG1 4.19Å; Y38-V146 HydrophobicContact CE2-CB 4.41Å; Y38-V146 HydrophobicContact CE2-CG2 4.14Å; Y38-V146 PolarHBondContact N-O 3.28Å; Y38-V146 VanDerWaalsContact N-O 3.11Å; Y38-V146 PolarHBondContact O-N 3.12Å; Y38-F149 HydrophobicContact CD1-CD1 4.49Å; Y38-F149 AromaticContact CD1-CE1 3.78Å; Y38-F149 HydrophobicContact CD1-CE1 3.78Å; Y38-F149 AromaticContact CD1-CZ 3.94Å; Y38-F149 HydrophobicContact CD1-CZ 3.94Å; Y38-F149 AromaticContact CE1-CD1 3.82Å; Y38-F149 HydrophobicContact CE1-CD1 3.82Å; Y38-F149 HydrophobicContact CE1-CD2 4.42Å; Y38-F149 AromaticContact CE1-CE1 3.44Å; Y38-F149 HydrophobicContact CE1-CE1 3.44Å; Y38-F149 VanDerWaalsContact CE1-CE1 3.44Å; Y38-F149 HydrophobicContact CE1-CE2 4.08Å; Y38-F149 HydrophobicContact CE1-CG 4.27Å; Y38-F149 AromaticContact CE1-CZ 3.54Å; Y38-F149 HydrophobicContact CE1-CZ 3.54Å
39F95.7Very high94.2Very high111 Ų11182.7 Ų82.749%0.48740%0.404SS..EExtended strand (participates in β ladder)trans-89139.8172.3-69.6-84.8000110.4Q41 D42 G144 F145F39-Q41 PolarHBondContact O-N 2.83Å; F39-Q41 VanDerWaalsContact O-N 3.1Å; F39-D42 WeakPolarHBondContact O-CB 3.34Å; F39-D42 PolarHBondContact O-N 3.36Å; F39-G144 WeakPolarHBondContact CA-O 3.21Å; F39-F145 HydrophobicContact CD1-CB 3.97Å; F39-F145 HydrophobicContact CD1-CD2 4.21Å; F39-F145 HydrophobicContact CD2-CD2 4.16Å; F39-F145 HydrophobicContact CE1-CB 3.72Å; F39-F145 AromaticContact CE1-CD2 3.98Å; F39-F145 HydrophobicContact CE1-CD2 3.98Å; F39-F145 HydrophobicContact CE1-CG 4.33Å; F39-F145 AromaticContact CE2-CD2 3.92Å; F39-F145 HydrophobicContact CE2-CD2 3.92Å; F39-F145 HydrophobicContact CE2-CE2 4.5Å; F39-F145 HydrophobicContact CG-CD2 4.3Å; F39-F145 HydrophobicContact CZ-CB 4.33Å; F39-F145 AromaticContact CZ-CD2 3.82Å; F39-F145 HydrophobicContact CZ-CD2 3.82Å; F39-F145 HydrophobicContact CZ-CG 4.5Å
40I92.1Very high94.4Very high76 Ų7684.3 Ų84.339%0.3941%0.406SS..THydrogen-bonded Turntrans-55.5-34.4-179.1-62.4167.4000112.1D42 K46 T140 G144 V146I40-D42 VanDerWaalsContact C-N 3.29Å; I40-D42 PolarHBondContact O-N 3.5Å; I40-K46 WeakPolarHBondContact O-CE 3.27Å; I40-K46 PolarHBondContact O-NZ 2.54Å; I40-T140 HydrophobicContact CD1-CG2 3.35Å; I40-T140 HydrophobicContact CG1-CG2 4.06Å; I40-G144 WeakPolarHBondContact CG1-O 3.2Å; I40-G144 PolarHBondContact N-O 3.46Å; I40-V146 HydrophobicContact CD1-CG2 4.46Å; I40-V146 HydrophobicContact CG1-CG2 3.7Å
41Q92.6Very high94.5Very high169 Ų16983 Ų8379%0.7941%0.405SS*.THydrogen-bonded Turntrans-80.9-4.4-178.8-66.5175.8-2.900113.5F39 E43 K46F39-Q41 PolarHBondContact O-N 2.83Å; F39-Q41 VanDerWaalsContact O-N 3.1Å; Q41-E43 PolarHBondContact O-N 3.01Å; Q41-K46 PolarHBondContact O-NZ 3.22Å
42D95.3Very high94.6Very high36 Ų3683.7 Ų83.719%0.19341%0.407CS..  trans-63.9101.6-177.3-172.1-8.5000111.9F39 I40 S44 I45 K46F39-D42 WeakPolarHBondContact O-CB 3.34Å; F39-D42 PolarHBondContact O-N 3.36Å; I40-D42 VanDerWaalsContact C-N 3.29Å; I40-D42 PolarHBondContact O-N 3.5Å; D42-S44 VanDerWaalsContact C-N 3.28Å; D42-S44 PolarHBondContact O-N 3.31Å; D42-S44 VanDerWaalsContact OD1-CB 3.25Å; D42-S44 WeakPolarHBondContact OD1-CB 3.44Å; D42-S44 PolarHBondContact OD1-N 3.47Å; D42-S44 PolarHBondContact OD1-OG 3.15Å; D42-S44 PolarHBondContact OD2-OG 3.39Å; D42-I45 HydrophobicContact CB-CD1 4.22Å; D42-I45 HydrophobicContact CB-CG1 4.06Å; D42-I45 WeakPolarHBondContact O-CG1 3.22Å; D42-K46 WeakPolarHBondContact O-CE 3.17Å; D42-K46 WeakPolarHBondContact O-CG 3.32Å
43E95.8Very high94.8Very high155 Ų15585 Ų8572%0.72441%0.412SS*.G310 helixtrans-74.3-19.8179.2-60.7-172.6166.200113.2Q41 I45 K46Q41-E43 PolarHBondContact O-N 3.01Å; E43-I45 PolarHBondContact O-N 2.75Å; E43-I45 VanDerWaalsContact O-N 3.1Å; E43-K46 PolarHBondContact O-N 3.06Å; E43-K46 VanDerWaalsContact O-N 3.17Å
44S97Very high94.9Very high49 Ų4986.1 Ų86.134%0.34342%0.418SS..G310 helixtrans-62.8-24.6-17774.70000112.1D42 P127 H221D42-S44 VanDerWaalsContact C-N 3.28Å; D42-S44 PolarHBondContact O-N 3.31Å; D42-S44 VanDerWaalsContact OD1-CB 3.25Å; D42-S44 WeakPolarHBondContact OD1-CB 3.44Å; D42-S44 PolarHBondContact OD1-N 3.47Å; D42-S44 PolarHBondContact OD1-OG 3.15Å; D42-S44 PolarHBondContact OD2-OG 3.39Å; S44-P127 WeakPolarHBondContact O-CA 3.35Å; S44-H221 PolarHBondContact O-NE2 3.35Å
45I96.4Very high95.1Very high1 Ų181 Ų811%0.00540%0.404CS..G310 helixtrans-108.59.8-177.562.7167.7000114.5Y38 D42 E43 L125 P127 F129 L130Y38-I45 HydrophobicContact CD1-CD1 4.47Å; Y38-I45 HydrophobicContact CD2-CD1 3.59Å; Y38-I45 HydrophobicContact CE2-CD1 4.35Å; Y38-I45 HydrophobicContact CG-CD1 3.68Å; D42-I45 HydrophobicContact CB-CD1 4.22Å; D42-I45 HydrophobicContact CB-CG1 4.06Å; D42-I45 WeakPolarHBondContact O-CG1 3.22Å; E43-I45 PolarHBondContact O-N 2.75Å; E43-I45 VanDerWaalsContact O-N 3.1Å; I45-L125 HydrophobicContact CD1-CD1 4.08Å; I45-L125 HydrophobicContact CG2-CB 3.9Å; I45-P127 CarbonylContact C-O 3.59Å; I45-P127 VanDerWaalsContact CA-O 3.27Å; I45-P127 WeakPolarHBondContact CA-O 3.21Å; I45-F129 HydrophobicContact CB-CB 4.14Å; I45-F129 HydrophobicContact CD1-CD1 4.45Å; I45-L130 HydrophobicContact CD1-CD1 4.06Å; I45-L130 HydrophobicContact CD1-CD2 4.3Å; I45-L130 HydrophobicContact CD1-CG 4.05Å; I45-L130 HydrophobicContact CG1-CD1 3.9Å; I45-L130 HydrophobicContact CG1-CG 4.13Å; I45-L130 WeakPolarHBondContact O-CG 3.38Å; I45-L130 PolarHBondContact O-N 2.95Å
46K96.3Very high95.3Very high99 Ų9976.1 Ų76.143%0.4339%0.389SS..  trans-98.35.2-177.9-73.7179.2-169171.30114.6I40 Q41 D42 E43 P127 L130I40-K46 WeakPolarHBondContact O-CE 3.27Å; I40-K46 PolarHBondContact O-NZ 2.54Å; Q41-K46 PolarHBondContact O-NZ 3.22Å; D42-K46 WeakPolarHBondContact O-CE 3.17Å; D42-K46 WeakPolarHBondContact O-CG 3.32Å; E43-K46 PolarHBondContact O-N 3.06Å; E43-K46 VanDerWaalsContact O-N 3.17Å; K46-P127 PolarHBondContact N-O 3.16Å; K46-L130 HydrophobicContact CD-CD1 4.45Å; K46-L130 HydrophobicContact CG-CD1 3.46Å; K46-L130 VanDerWaalsContact CG-CD1 3.46Å
47K97Very high95.5Very high91 Ų9177.2 Ų77.240%0.39640%0.404SS..PPolyproline II helixtrans-71.2149.9-177.6-58.1-166.1-177.8-174.40111.2P127 N128 N218K47-P127 HydrophobicContact CB-CB 4.3Å; K47-P127 WeakPolarHBondContact CB-O 3.12Å; K47-P127 HydrophobicContact CD-CB 3.94Å; K47-P127 HydrophobicContact CG-CB 4.2Å; K47-P127 PolarHBondContact N-O 3.19Å; K47-N128 WeakPolarHBondContact O-CA 3.14Å; K47-N128 WeakPolarHBondContact O-CB 2.9Å; K47-N218 HydrophobicContact CB-CB 4.09Å; K47-N218 HydrophobicContact CD-CB 4.42Å; K47-N218 WeakPolarHBondContact CD-OD1 3.12Å
48P96.6Very high95.8Very high75 Ų7580.1 Ų80.149%0.48742%0.419SS..PPolyproline II helixtrans-69.6148.6176.628.6-35.2000111.6R50 N218P48-R50 PolarHBondContact O-N 2.98Å; P48-N218 PolarHBondContact O-ND2 3.22Å
49F94.2Very high96Very high112 Ų11280.1 Ų80.149%0.49142%0.42SS..PPolyproline II helixtrans-65.3129.7170.6-179.8-91.1000110.3N128 D131 V132F49-N128 HydrophobicContact CB-CB 4.47Å; F49-D131 VanDerWaalsContact CB-OD2 3.29Å; F49-D131 WeakPolarHBondContact CB-OD2 3.4Å; F49-D131 PolarHBondContact N-OD2 3.39Å; F49-V132 HydrophobicContact CB-CG2 4.16Å; F49-V132 HydrophobicContact CD2-CG2 3.49Å; F49-V132 VanDerWaalsContact CD2-CG2 3.49Å; F49-V132 HydrophobicContact CE2-CG2 4.24Å; F49-V132 HydrophobicContact CG-CG2 4.16Å
50R94.8Very high96.1Very high122 Ų12279 Ų7946%0.4641%0.413SS..  trans-118.9150.2172.8-67.8-179173-172.7-5.7110.4P48 I216 K219P48-R50 PolarHBondContact O-N 2.98Å; R50-I216 WeakPolarHBondContact CD-O 3.16Å; R50-I216 PolarHBondContact NH1-O 2.82Å; R50-I216 VanDerWaalsContact NH1-O 3.09Å; R50-K219 WeakPolarHBondContact O-CE 3.43Å; R50-K219 PolarHBondContact O-NZ 2.79Å
51P95Very high96.4Very high106 Ų10679 Ų7969%0.68842%0.416SS*.  trans-61.7160.1169.228-34.3000110.7
52N94.8Very high96.6Very high76 Ų7674.3 Ų74.341%0.40640%0.399SS..  trans-77.9126.5177.1-62-50.8000109.6I54 K219N52-I54 VanDerWaalsContact C-N 3.33Å; N52-K219 WeakPolarHBondContact OD1-CE 3.18Å
53T97.2Very high96.8Very high102 Ų10272.9 Ų72.963%0.62639%0.392SS*.SBendtrans-63.2-43.7167.3-62.50000110.3D217T53-D217 WeakPolarHBondContact CB-OD1 3.4Å; T53-D217 PolarHBondContact N-OD1 3.34Å; T53-D217 PolarHBondContact N-OD2 2.66Å; T53-D217 PolarHBondContact OG1-OD1 3.32Å
54I97Very high96.9Very high28 Ų2868.2 Ų68.214%0.14438%0.376CS..SBendtrans-116.7114.1174.7-61169.1000108.7N52 V58 L59 V209 V210 R214N52-I54 VanDerWaalsContact C-N 3.33Å; I54-V58 HydrophobicContact CG2-CB 4.41Å; I54-V58 HydrophobicContact CG2-CG1 4.22Å; I54-L59 HydrophobicContact CG2-CB 4.41Å; I54-V209 HydrophobicContact CD1-CG1 4.38Å; I54-V210 HydrophobicContact CD1-CB 4.38Å; I54-V210 HydrophobicContact CD1-CG2 3.84Å; I54-R214 VanDerWaalsContact N-NH2 3.18Å; I54-R214 VanDerWaalsContact O-CZ 3.26Å; I54-R214 PolarHBondContact O-NH1 2.8Å; I54-R214 PolarHBondContact O-NH2 2.88Å
55S97.3Very high97Very high42 Ų4269.9 Ų69.929%0.29438%0.381SS..  trans-75.3158.3177.473.80000111.3T57 V58 L59S55-T57 PolarHBondContact O-N 3.12Å; S55-V58 PolarHBondContact O-N 2.65Å; S55-V58 WeakPolarHBondContact OG-CG2 3.45Å; S55-V58 PolarHBondContact OG-N 2.96Å; S55-L59 PolarHBondContact O-N 2.93Å
56S96.3Very high97.1Very high50 Ų5072.1 Ų72.135%0.3539%0.393SS..Hα-helixtrans-58.2-37.7175.3-49.50000111.6L59 Y60 H167S56-L59 WeakPolarHBondContact O-CB 3.25Å; S56-L59 PolarHBondContact O-N 2.86Å; S56-Y60 WeakPolarHBondContact O-CD2 3.4Å; S56-Y60 VanDerWaalsContact O-CG 3.28Å; S56-Y60 PolarHBondContact O-N 3.18Å; S56-H167 PolarHBondContact N-NE2 3.5Å; S56-H167 PolarHBondContact OG-CE1 2.86Å
57T97.3Very high97.2Very high100 Ų10067.9 Ų67.961%0.61338%0.375SS*.Hα-helixtrans-61.9-48.2176.9-49.80000111.5S55 L59 Y60 V61S55-T57 PolarHBondContact O-N 3.12Å; T57-L59 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 3.4Å; T57-Y60 PolarHBondContact O-N 3.46Å; T57-V61 HydrophobicContact CG2-CG2 4.29Å; T57-V61 WeakPolarHBondContact O-CB 3.5Å; T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 3.3Å; T57-V61 PolarHBondContact O-N 3.05Å
58V98.1Very high97.2Very high75 Ų7567.2 Ų67.246%0.45538%0.375SS..Hα-helixtrans-60.4-45.5177.5171.40000110I54 S55 Y60 V62I54-V58 HydrophobicContact CG2-CB 4.41Å; I54-V58 HydrophobicContact CG2-CG1 4.22Å; S55-V58 PolarHBondContact O-N 2.65Å; S55-V58 WeakPolarHBondContact OG-CG2 3.45Å; S55-V58 PolarHBondContact OG-N 2.96Å; V58-Y60 PolarHBondContact O-N 3.38Å; V58-V62 HydrophobicContact CG1-CG2 4.01Å; V58-V62 VanDerWaalsContact O-CB 3.22Å; V58-V62 WeakPolarHBondContact O-CB 3.46Å; V58-V62 WeakPolarHBondContact O-CG2 3.22Å; V58-V62 PolarHBondContact O-N 3.08Å
59L98.4Very high97.3Very high8 Ų868.2 Ų68.24%0.04238%0.375CS..Hα-helixtrans-55.7-55.1176.2172.868.3000111.5I54 S55 S56 T57 V61 S63 H167 I170 A171 V210I54-L59 HydrophobicContact CG2-CB 4.41Å; S55-L59 PolarHBondContact O-N 2.93Å; S56-L59 WeakPolarHBondContact O-CB 3.25Å; S56-L59 PolarHBondContact O-N 2.86Å; T57-L59 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 3.4Å; L59-V61 PolarHBondContact O-N 3.17Å; L59-S63 VanDerWaalsContact O-CB 3.28Å; L59-S63 WeakPolarHBondContact O-CB 3.36Å; L59-S63 PolarHBondContact O-N 3.44Å; L59-S63 PolarHBondContact O-OG 3.5Å; L59-H167 HydrophobicContact CD2-CB 3.96Å; L59-H167 VanDerWaalsContact CD2-CD2 3.43Å; L59-H167 WeakPolarHBondContact CD2-CD2 3.42Å; L59-I170 HydrophobicContact CD1-CG2 4.29Å; L59-I170 HydrophobicContact CD2-CB 4.26Å; L59-I170 HydrophobicContact CD2-CG2 4.34Å; L59-I170 HydrophobicContact CG-CG2 4.27Å; L59-A171 HydrophobicContact CD1-CB 4.12Å; L59-V210 HydrophobicContact CD1-CG1 4.33Å; L59-V210 HydrophobicContact CD1-CG2 4.48Å
60Y98Very high97.4Very high86 Ų8663.4 Ų63.434%0.33736%0.355SS..Hα-helixtrans-66.4-39.6-174.1-64.8-43.2000112.5S56 T57 V58 S63 S64 Y108 I112S56-Y60 WeakPolarHBondContact O-CD2 3.4Å; S56-Y60 VanDerWaalsContact O-CG 3.28Å; S56-Y60 PolarHBondContact O-N 3.18Å; T57-Y60 PolarHBondContact O-N 3.46Å; V58-Y60 PolarHBondContact O-N 3.38Å; Y60-S63 PolarHBondContact O-OG 3.42Å; Y60-S64 VanDerWaalsContact O-CB 3.23Å; Y60-S64 WeakPolarHBondContact O-CB 3.47Å; Y60-S64 PolarHBondContact O-N 3.24Å; Y60-S64 PolarHBondContact O-OG 2.97Å; Y60-Y108 HydrophobicContact CD1-CE1 4.49Å; Y60-Y108 WeakPolarHBondContact CD1-OH 3.33Å; Y60-I112 HydrophobicContact CE1-CD1 4.32Å
61V98.4Very high97.5Very high76 Ų7657.6 Ų57.646%0.46133%0.333SS..Hα-helixtrans-68.1-52.4177.3171.60000110.7T57 L59 S63 S64 L65T57-V61 HydrophobicContact CG2-CG2 4.29Å; T57-V61 WeakPolarHBondContact O-CB 3.5Å; T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 3.3Å; T57-V61 PolarHBondContact O-N 3.05Å; L59-V61 PolarHBondContact O-N 3.17Å; V61-S63 PolarHBondContact O-N 3.13Å; V61-S64 PolarHBondContact O-N 3.41Å; V61-L65 HydrophobicContact CG1-CD1 3.74Å; V61-L65 HydrophobicContact CG1-CG 4.34Å; V61-L65 WeakPolarHBondContact O-CB 3.02Å; V61-L65 VanDerWaalsContact O-CG 3.26Å; V61-L65 WeakPolarHBondContact O-CG 3.19Å; V61-L65 PolarHBondContact O-N 2.98Å
62V98.3Very high97.5Very high71 Ų7155 Ų5543%0.4332%0.315SS..Hα-helixtrans-65-45-175.5173.40000111.2V58 L65 L66V58-V62 HydrophobicContact CG1-CG2 4.01Å; V58-V62 VanDerWaalsContact O-CB 3.22Å; V58-V62 WeakPolarHBondContact O-CB 3.46Å; V58-V62 WeakPolarHBondContact O-CG2 3.22Å; V58-V62 PolarHBondContact O-N 3.08Å; V62-L65 PolarHBondContact O-N 2.89Å; V62-L66 HydrophobicContact CG1-CD1 3.89Å; V62-L66 HydrophobicContact CG1-CG 4.24Å; V62-L66 WeakPolarHBondContact O-CB 3.43Å; V62-L66 VanDerWaalsContact O-CG 3.25Å; V62-L66 WeakPolarHBondContact O-CG 3.39Å; V62-L66 PolarHBondContact O-N 3.31Å
63S98.4Very high97.5Very high6 Ų655 Ų554%0.04232%0.318CS..Hα-helixtrans-63.8-43.7178.454.90000112.5L59 Y60 V61 L65 L66 I67 Y108 T174L59-S63 VanDerWaalsContact O-CB 3.28Å; L59-S63 WeakPolarHBondContact O-CB 3.36Å; L59-S63 PolarHBondContact O-N 3.44Å; L59-S63 PolarHBondContact O-OG 3.5Å; Y60-S63 PolarHBondContact O-OG 3.42Å; V61-S63 PolarHBondContact O-N 3.13Å; S63-L65 PolarHBondContact O-N 2.92Å; S63-L66 PolarHBondContact O-N 3.26Å; S63-I67 WeakPolarHBondContact O-CG1 3.3Å; S63-I67 PolarHBondContact O-N 3.3Å; S63-Y108 PolarHBondContact OG-OH 2.74Å; S63-T174 WeakPolarHBondContact CB-OG1 3.25Å
64S98.3Very high97.4Very high58 Ų5850.1 Ų50.141%0.40629%0.288SS..Hα-helixtrans-63.6-41.8176.9-55.90000112Y60 V61 I67 L68Y60-S64 VanDerWaalsContact O-CB 3.23Å; Y60-S64 WeakPolarHBondContact O-CB 3.47Å; Y60-S64 PolarHBondContact O-N 3.24Å; Y60-S64 PolarHBondContact O-OG 2.97Å; V61-S64 PolarHBondContact O-N 3.41Å; S64-I67 PolarHBondContact O-N 3.35Å; S64-L68 WeakPolarHBondContact O-CB 3.47Å; S64-L68 PolarHBondContact O-N 2.81Å
65L98.4Very high97.1Very high84 Ų8448.9 Ų48.944%0.4428%0.282SS..Hα-helixtrans-67.1-39.3176.3-71.8177.7000112.1V61 V62 S63 I67 L68 I69V61-L65 HydrophobicContact CG1-CD1 3.74Å; V61-L65 HydrophobicContact CG1-CG 4.34Å; V61-L65 WeakPolarHBondContact O-CB 3.02Å; V61-L65 VanDerWaalsContact O-CG 3.26Å; V61-L65 WeakPolarHBondContact O-CG 3.19Å; V61-L65 PolarHBondContact O-N 2.98Å; V62-L65 PolarHBondContact O-N 2.89Å; S63-L65 PolarHBondContact O-N 2.92Å; L65-I67 VanDerWaalsContact C-N 3.34Å; L65-I67 PolarHBondContact O-N 2.82Å; L65-L68 PolarHBondContact O-N 3.24Å; L65-I69 HydrophobicContact CB-CD1 4.42Å; L65-I69 VanDerWaalsContact O-CB 3.28Å; L65-I69 WeakPolarHBondContact O-CB 3.33Å; L65-I69 WeakPolarHBondContact O-CG1 3.48Å; L65-I69 PolarHBondContact O-N 3.17Å
66L98.2Very high96.9Very high47 Ų4749.7 Ų49.725%0.24629%0.285CS..Hα-helixtrans-61.4-43.5175.2-76.7173.9000111.4V62 S63 T70 L178 Y203 L206V62-L66 HydrophobicContact CG1-CD1 3.89Å; V62-L66 HydrophobicContact CG1-CG 4.24Å; V62-L66 WeakPolarHBondContact O-CB 3.43Å; V62-L66 VanDerWaalsContact O-CG 3.25Å; V62-L66 WeakPolarHBondContact O-CG 3.39Å; V62-L66 PolarHBondContact O-N 3.31Å; S63-L66 PolarHBondContact O-N 3.26Å; L66-T70 WeakPolarHBondContact O-CB 3.46Å; L66-T70 PolarHBondContact O-N 3.41Å; L66-T70 PolarHBondContact O-OG1 3.5Å; L66-L178 HydrophobicContact CB-CD1 4.05Å; L66-Y203 HydrophobicContact CD2-CE1 4.23Å; L66-L206 HydrophobicContact CD1-CD1 4.02Å
67I98.4Very high96.7Very high10 Ų1051.6 Ų51.65%0.05129%0.29CS..Hα-helixtrans-59.6-54174.4-69.4169.7000110.2S63 S64 L65 I69 T70 I71 L101 A104 Y108 T174 L178S63-I67 WeakPolarHBondContact O-CG1 3.3Å; S63-I67 PolarHBondContact O-N 3.3Å; S64-I67 PolarHBondContact O-N 3.35Å; L65-I67 VanDerWaalsContact C-N 3.34Å; L65-I67 PolarHBondContact O-N 2.82Å; I67-I69 PolarHBondContact O-N 3.35Å; I67-T70 PolarHBondContact O-N 2.92Å; I67-I71 HydrophobicContact CG2-CD1 3.76Å; I67-I71 WeakPolarHBondContact O-CB 3.47Å; I67-I71 WeakPolarHBondContact O-CG1 3.44Å; I67-I71 PolarHBondContact O-N 2.97Å; I67-L101 HydrophobicContact CG2-CD2 4.16Å; I67-A104 HydrophobicContact CG2-CB 3.69Å; I67-Y108 HydrophobicContact CD1-CD2 3.94Å; I67-Y108 HydrophobicContact CD1-CE2 4.34Å; I67-T174 HydrophobicContact CD1-CG2 4.07Å; I67-T174 HydrophobicContact CG1-CG2 3.85Å; I67-L178 HydrophobicContact CG1-CD2 4.29Å; I67-L178 HydrophobicContact CG1-CG 4.44Å
68L98.3Very high96.2Very high77 Ų7748 Ų4840%0.40327%0.268SS..Hα-helixtrans-58.7-52.1-177.317963.7000112S64 L65 I71 V72 L101S64-L68 WeakPolarHBondContact O-CB 3.47Å; S64-L68 PolarHBondContact O-N 2.81Å; L65-L68 PolarHBondContact O-N 3.24Å; L68-I71 PolarHBondContact O-N 3Å; L68-V72 HydrophobicContact CD1-CG2 3.87Å; L68-V72 HydrophobicContact CG-CG2 4.45Å; L68-V72 WeakPolarHBondContact O-CB 3.4Å; L68-V72 VanDerWaalsContact O-CG2 3.22Å; L68-V72 WeakPolarHBondContact O-CG2 3.05Å; L68-V72 PolarHBondContact O-N 2.91Å; L68-L101 HydrophobicContact CD1-CD1 4.07Å; L68-L101 HydrophobicContact CD1-CD2 4.15Å
69I98.1Very high95.7Very high96 Ų9645 Ų4549%0.49225%0.252SS..Hα-helixtrans-64.9-45.1-176.7-67.3168.1000110.3L65 I67 I71 V72 V73L65-I69 HydrophobicContact CB-CD1 4.42Å; L65-I69 VanDerWaalsContact O-CB 3.28Å; L65-I69 WeakPolarHBondContact O-CB 3.33Å; L65-I69 WeakPolarHBondContact O-CG1 3.48Å; L65-I69 PolarHBondContact O-N 3.17Å; I67-I69 PolarHBondContact O-N 3.35Å; I69-I71 PolarHBondContact O-N 3.14Å; I69-V72 PolarHBondContact O-N 3.36Å; I69-V73 HydrophobicContact CG2-CG2 4.01Å; I69-V73 WeakPolarHBondContact O-CB 3.3Å; I69-V73 VanDerWaalsContact O-CG2 3.22Å; I69-V73 WeakPolarHBondContact O-CG2 3.15Å; I69-V73 PolarHBondContact O-N 3.23Å
70T97Very high95.2Very high11 Ų1148.7 Ų48.77%0.06728%0.275CS..Hα-helixtrans-62.6-44.4-178.8-550000111.6L66 I67 G74 L178 Y181 I182 Y203L66-T70 WeakPolarHBondContact O-CB 3.46Å; L66-T70 PolarHBondContact O-N 3.41Å; L66-T70 PolarHBondContact O-OG1 3.5Å; I67-T70 PolarHBondContact O-N 2.92Å; T70-G74 WeakPolarHBondContact O-CA 3.42Å; T70-G74 PolarHBondContact O-N 3.42Å; T70-L178 HydrophobicContact CG2-CD2 3.82Å; T70-Y181 HydrophobicContact CG2-CD1 4.07Å; T70-Y181 HydrophobicContact CG2-CE1 4.21Å; T70-I182 HydrophobicContact CG2-CD1 4.3Å; T70-I182 HydrophobicContact CG2-CG1 4.26Å; T70-Y203 HydrophobicContact CG2-CE2 4.28Å; T70-Y203 PolarHBondContact OG1-OH 2.9Å
71I96Very high94.6Very high0 Ų054.2 Ų54.20%030%0.301CS..Hα-helixtrans-67.3-50.2178.6-70.1168.4000110.3I67 L68 I69 V73 G74 E75 I97 L101 A104 F177 Y181I67-I71 HydrophobicContact CG2-CD1 3.76Å; I67-I71 WeakPolarHBondContact O-CB 3.47Å; I67-I71 WeakPolarHBondContact O-CG1 3.44Å; I67-I71 PolarHBondContact O-N 2.97Å; L68-I71 PolarHBondContact O-N 3Å; I69-I71 PolarHBondContact O-N 3.14Å; I71-V73 PolarHBondContact O-N 3.33Å; I71-G74 PolarHBondContact O-N 3.49Å; I71-E75 HydrophobicContact CG2-CG 4.24Å; I71-E75 WeakPolarHBondContact O-CB 3.45Å; I71-E75 WeakPolarHBondContact O-CG 3.21Å; I71-E75 PolarHBondContact O-N 2.61Å; I71-I97 HydrophobicContact CG2-CG2 4.42Å; I71-L101 HydrophobicContact CB-CD2 4.44Å; I71-L101 HydrophobicContact CD1-CD2 3.72Å; I71-L101 HydrophobicContact CD1-CG 4.2Å; I71-L101 HydrophobicContact CG2-CG 4.26Å; I71-A104 HydrophobicContact CD1-CB 4.4Å; I71-F177 HydrophobicContact CD1-CE1 4.18Å; I71-Y181 HydrophobicContact CG1-CD2 4.31Å; I71-Y181 HydrophobicContact CG1-CE1 4.4Å; I71-Y181 HydrophobicContact CG1-CE2 4.15Å; I71-Y181 PolarHBondContact O-OH 2.92Å
72V96.1Very high94.1Very high52 Ų5252.4 Ų52.432%0.31529%0.291SS..Hα-helixtrans-62.2-48.4-177.4171.40000110.9L68 I69 G74 E75 V76 I97L68-V72 HydrophobicContact CD1-CG2 3.87Å; L68-V72 HydrophobicContact CG-CG2 4.45Å; L68-V72 WeakPolarHBondContact O-CB 3.4Å; L68-V72 VanDerWaalsContact O-CG2 3.22Å; L68-V72 WeakPolarHBondContact O-CG2 3.05Å; L68-V72 PolarHBondContact O-N 2.91Å; I69-V72 PolarHBondContact O-N 3.36Å; V72-G74 VanDerWaalsContact C-N 3.34Å; V72-G74 PolarHBondContact O-N 3.5Å; V72-E75 PolarHBondContact O-N 2.95Å; V72-V76 HydrophobicContact CG1-CG2 4.44Å; V72-V76 WeakPolarHBondContact O-CB 3.29Å; V72-V76 WeakPolarHBondContact O-CG2 3.49Å; V72-V76 PolarHBondContact O-N 2.75Å; V72-I97 HydrophobicContact CG2-CG2 4.22Å
73V94.8Very high93.4Very high75 Ų7552.9 Ų52.946%0.45529%0.291SS..Hα-helixtrans-63.4-42.7177.6173.10000110.6I69 I71 V76 I77I69-V73 HydrophobicContact CG2-CG2 4.01Å; I69-V73 WeakPolarHBondContact O-CB 3.3Å; I69-V73 VanDerWaalsContact O-CG2 3.22Å; I69-V73 WeakPolarHBondContact O-CG2 3.15Å; I69-V73 PolarHBondContact O-N 3.23Å; I71-V73 PolarHBondContact O-N 3.33Å; V73-V76 PolarHBondContact O-N 2.88Å; V73-I77 HydrophobicContact CG1-CD1 3.66Å; V73-I77 HydrophobicContact CG1-CG1 4.3Å; V73-I77 VanDerWaalsContact O-CG1 3.25Å; V73-I77 WeakPolarHBondContact O-CG1 3.39Å; V73-I77 PolarHBondContact O-N 2.7Å
74G93.5Very high92.9Very high1 Ų164.1 Ų64.11%0.0133%0.333CS..Hα-helixtrans-61.6-46178.600000113.1T70 I71 V72 I77 V78 F186T70-G74 WeakPolarHBondContact O-CA 3.42Å; T70-G74 PolarHBondContact O-N 3.42Å; I71-G74 PolarHBondContact O-N 3.49Å; V72-G74 VanDerWaalsContact C-N 3.34Å; V72-G74 PolarHBondContact O-N 3.5Å; G74-I77 PolarHBondContact O-N 2.94Å; G74-V78 WeakPolarHBondContact O-CB 3.38Å; G74-V78 WeakPolarHBondContact O-CG2 3.48Å; G74-V78 PolarHBondContact O-N 2.99Å; G74-F186 VanDerWaalsContact CA-CZ 3.5Å
75E92.3Very high92.6Very high2 Ų269.4 Ų69.41%0.00934%0.344CS..Hα-helixtrans-68.8-33.1176.6-67.1-47.6121.800112.8I71 V72 G79 I93 P96 I97 Y181 R185 Y245I71-E75 HydrophobicContact CG2-CG 4.24Å; I71-E75 WeakPolarHBondContact O-CB 3.45Å; I71-E75 WeakPolarHBondContact O-CG 3.21Å; I71-E75 PolarHBondContact O-N 2.61Å; V72-E75 PolarHBondContact O-N 2.95Å; E75-G79 VanDerWaalsContact O-CA 3.3Å; E75-G79 WeakPolarHBondContact O-CA 3.33Å; E75-G79 PolarHBondContact O-N 3.32Å; E75-I93 HydrophobicContact CB-CG1 4.31Å; E75-I93 WeakPolarHBondContact O-CD1 3.42Å; E75-P96 HydrophobicContact CG-CB 4.44Å; E75-P96 VanDerWaalsContact OE2-CB 3.31Å; E75-P96 WeakPolarHBondContact OE2-CB 3.35Å; E75-P96 WeakPolarHBondContact OE2-CG 3.46Å; E75-I97 HydrophobicContact CB-CD1 3.98Å; E75-I97 HydrophobicContact CB-CG1 3.43Å; E75-I97 VanDerWaalsContact CB-CG1 3.43Å; E75-I97 HydrophobicContact CG-CG1 3.54Å; E75-Y181 PolarHBondContact N-OH 3.45Å; E75-Y181 PolarHBondContact OE1-OH 2.81Å; E75-R185 WeakPolarHBondContact OE1-CD 3.21Å; E75-R185 IonicContact OE1-CZ 3.77Å; E75-R185 IonicContact OE1-NE 3.5Å; E75-R185 PolarHBondContact OE1-NE 2.65Å; E75-R185 IonicContact OE1-NH2 3.48Å; E75-R185 IonicContact OE2-CZ 2.79Å; E75-R185 VanDerWaalsContact OE2-CZ 3.31Å; E75-R185 IonicContact OE2-NE 3.64Å; E75-R185 PolarHBondContact OE2-NE 3.26Å; E75-R185 IonicContact OE2-NH2 3.23Å; E75-R185 PolarHBondContact OE2-NH2 3.06Å; E75-Y245 PolarHBondContact OE1-OH 3.49Å; E75-Y245 PolarHBondContact OE2-OH 3.43Å
76V92.7Very high92.1Very high58 Ų5869.5 Ų69.535%0.35235%0.348SS..Hα-helixtrans-66.5-46.1173.6169.80000111.1V72 V73 V78 G79 V80 I93V72-V76 HydrophobicContact CG1-CG2 4.44Å; V72-V76 WeakPolarHBondContact O-CB 3.29Å; V72-V76 WeakPolarHBondContact O-CG2 3.49Å; V72-V76 PolarHBondContact O-N 2.75Å; V73-V76 PolarHBondContact O-N 2.88Å; V76-V78 VanDerWaalsContact C-N 3.34Å; V76-V78 PolarHBondContact O-N 3.16Å; V76-G79 CarbonylContact O-C 3.5Å; V76-G79 PolarHBondContact O-N 3.27Å; V76-V80 WeakPolarHBondContact O-CG2 3.3Å; V76-V80 PolarHBondContact O-N 2.86Å; V76-I93 HydrophobicContact CB-CD1 4.25Å; V76-I93 HydrophobicContact CG2-CD1 3.7Å
77I91.1Very high91.5Very high90 Ų9073.6 Ų73.646%0.46236%0.361SS..Hα-helixtrans-60.9-44.1177.8-70.4167.9000111V73 G74 V80 I191V73-I77 HydrophobicContact CG1-CD1 3.66Å; V73-I77 HydrophobicContact CG1-CG1 4.3Å; V73-I77 VanDerWaalsContact O-CG1 3.25Å; V73-I77 WeakPolarHBondContact O-CG1 3.39Å; V73-I77 PolarHBondContact O-N 2.7Å; G74-I77 PolarHBondContact O-N 2.94Å; I77-V80 WeakPolarHBondContact O-CG2 3.38Å; I77-I191 HydrophobicContact CG2-CD1 4.35Å
78V88.3Confident90.8Very high24 Ų2478.6 Ų78.615%0.14538%0.384CS..Hα-helixtrans-71-40178.91630000111.7G74 V76 R185 F186 F189G74-V78 WeakPolarHBondContact O-CB 3.38Å; G74-V78 WeakPolarHBondContact O-CG2 3.48Å; G74-V78 PolarHBondContact O-N 2.99Å; V76-V78 VanDerWaalsContact C-N 3.34Å; V76-V78 PolarHBondContact O-N 3.16Å; V78-R185 HydrophobicContact CG2-CG 4.17Å; V78-F186 HydrophobicContact CG2-CD1 4.18Å; V78-F186 HydrophobicContact CG2-CE1 4.2Å; V78-F189 HydrophobicContact CB-CD2 4.24Å; V78-F189 HydrophobicContact CB-CE2 4.04Å; V78-F189 HydrophobicContact CB-CZ 4.25Å; V78-F189 HydrophobicContact CG1-CD1 4.36Å; V78-F189 HydrophobicContact CG1-CD2 3.93Å; V78-F189 HydrophobicContact CG1-CE1 3.74Å; V78-F189 HydrophobicContact CG1-CE2 3.26Å; V78-F189 HydrophobicContact CG1-CG 4.46Å; V78-F189 HydrophobicContact CG1-CZ 3.17Å; V78-F189 HydrophobicContact CG2-CD2 3.42Å; V78-F189 VanDerWaalsContact CG2-CD2 3.42Å; V78-F189 HydrophobicContact CG2-CE2 3.62Å; V78-F189 HydrophobicContact CG2-CG 3.94Å; V78-F189 HydrophobicContact CG2-CZ 4.28Å
79G87.2Confident90.2Very high12 Ų1282.2 Ų82.212%0.12440%0.404CS..Hα-helixtrans-907.7-172.900000115.3E75 V76 K81 S82 L83E75-G79 VanDerWaalsContact O-CA 3.3Å; E75-G79 WeakPolarHBondContact O-CA 3.33Å; E75-G79 PolarHBondContact O-N 3.32Å; V76-G79 CarbonylContact O-C 3.5Å; V76-G79 PolarHBondContact O-N 3.27Å; G79-K81 VanDerWaalsContact C-N 3.26Å; G79-K81 PolarHBondContact O-N 3.18Å; G79-K81 VanDerWaalsContact O-N 3.11Å; G79-S82 CarbonylContact O-C 3.45Å; G79-S82 WeakPolarHBondContact O-CA 3.18Å; G79-S82 PolarHBondContact O-N 3.32Å; G79-L83 PolarHBondContact O-N 3.04Å; G79-L83 VanDerWaalsContact O-N 3.13Å
80V87.4Confident89.6Confident87 Ų8781.3 Ų81.353%0.52740%0.399SS..G310 helixtrans-48.3-45.9-173.9175.20000112.5V76 I77 S82 L83V76-V80 WeakPolarHBondContact O-CG2 3.3Å; V76-V80 PolarHBondContact O-N 2.86Å; I77-V80 WeakPolarHBondContact O-CG2 3.38Å; V80-S82 PolarHBondContact O-N 3.06Å; V80-L83 HydrophobicContact CG1-CD1 4.48Å; V80-L83 WeakPolarHBondContact O-CG 3.26Å; V80-L83 PolarHBondContact O-N 3.42Å
81K86.2Confident89.3Confident201 Ų20183.2 Ų83.287%0.87441%0.412SS*.G310 helixtrans-68-20.2-179.8-65.1-175.2179.9-178.80113.7G79G79-K81 VanDerWaalsContact C-N 3.26Å; G79-K81 PolarHBondContact O-N 3.18Å; G79-K81 VanDerWaalsContact O-N 3.11Å
82S86.3Confident88.9Confident38 Ų3885.8 Ų85.827%0.26643%0.427SS..G310 helixtrans-105.43.6-177.2-62.40000113.2G79 V80 R84 R85G79-S82 CarbonylContact O-C 3.45Å; G79-S82 WeakPolarHBondContact O-CA 3.18Å; G79-S82 PolarHBondContact O-N 3.32Å; V80-S82 PolarHBondContact O-N 3.06Å; S82-R84 PolarHBondContact O-N 3.38Å; S82-R85 WeakPolarHBondContact O-CB 3.37Å; S82-R85 PolarHBondContact O-N 3.07Å
83L84.8Confident88.7Confident81 Ų8184.2 Ų84.242%0.42442%0.417SS..THydrogen-bonded Turntrans-57.4-34.2-176.9-74.6172.9000113.7G79 V80 I93G79-L83 PolarHBondContact O-N 3.04Å; G79-L83 VanDerWaalsContact O-N 3.13Å; V80-L83 HydrophobicContact CG1-CD1 4.48Å; V80-L83 WeakPolarHBondContact O-CG 3.26Å; V80-L83 PolarHBondContact O-N 3.42Å; L83-I93 HydrophobicContact CD2-CD1 3.56Å
84R88.3Confident88.5Confident243 Ų24384.7 Ų84.792%0.91742%0.416SS*.THydrogen-bonded Turntrans-90.4-5.3178-64.7-172.1178.7-170.80113.7S82S82-R84 PolarHBondContact O-N 3.38Å
85R90.5Very high88.3Confident168 Ų16888.7 Ų88.763%0.63443%0.432SS*.  trans-81.9128.8-179.4-70.9-173.3171.4-176.5-3.1109.5S82 V92S82-R85 WeakPolarHBondContact O-CB 3.37Å; S82-R85 PolarHBondContact O-N 3.07Å; R85-V92 HydrophobicContact CB-CG2 4.13Å; R85-V92 WeakPolarHBondContact O-CG2 3.37Å; R85-V92 PolarHBondContact O-N 2.81Å
86T89.1Confident88.2Confident86 Ų8689.8 Ų89.853%0.52844%0.439SS..EExtended strand (participates in β ladder)trans-116.3142.7175.254.60000110.6I90T86-I90 CarbonylContact C-O 3.59Å; T86-I90 VanDerWaalsContact CA-O 3.24Å; T86-I90 WeakPolarHBondContact CA-O 3.22Å
87Y85Confident88.3Confident134 Ų13488 Ų8853%0.52543%0.427SS..EExtended strand (participates in β ladder)trans-120.6122.7170.6-175.9-110.5000108.1N89 I90Y87-N89 VanDerWaalsContact C-N 3.28Å; Y87-N89 PolarHBondContact O-N 3.47Å; Y87-I90 PolarHBondContact N-O 2.88Å; Y87-I90 WeakPolarHBondContact O-CB 3.28Å; Y87-I90 PolarHBondContact O-N 3.37Å
88H84Confident88.4Confident114 Ų11486.6 Ų86.653%0.52842%0.416SS..THydrogen-bonded Turntrans4746.6-169-62.8-72.8000113.6I90H88-I90 PolarHBondContact O-N 2.91Å; H88-I90 VanDerWaalsContact O-N 3.14Å
89N84.9Confident88.6Confident154 Ų15486.7 Ų86.782%0.82442%0.416SS*.THydrogen-bonded Turntrans63.77.4-176.6-55.5-31.3000115.9Y87Y87-N89 VanDerWaalsContact C-N 3.28Å; Y87-N89 PolarHBondContact O-N 3.47Å
90I86.2Confident88.9Confident77 Ų7786.1 Ų86.140%0.39541%0.41SS..EExtended strand (participates in β ladder)trans-103.1130.9176.1-58.7173.4000109.1T86 Y87 H88 V92 L94 Y95T86-I90 CarbonylContact C-O 3.59Å; T86-I90 VanDerWaalsContact CA-O 3.24Å; T86-I90 WeakPolarHBondContact CA-O 3.22Å; Y87-I90 PolarHBondContact N-O 2.88Å; Y87-I90 WeakPolarHBondContact O-CB 3.28Å; Y87-I90 PolarHBondContact O-N 3.37Å; H88-I90 PolarHBondContact O-N 2.91Å; H88-I90 VanDerWaalsContact O-N 3.14Å; I90-V92 PolarHBondContact O-N 3.24Å; I90-L94 HydrophobicContact CG2-CB 4.48Å; I90-L94 HydrophobicContact CG2-CD1 4.11Å; I90-Y95 HydrophobicContact CB-CE2 4.4Å; I90-Y95 HydrophobicContact CG2-CE2 4.1Å
91P90.2Very high89.3Confident51 Ų5183.9 Ų83.933%0.33140%0.395SS..EExtended strand (participates in β ladder)trans-56.6127.8174.9-23.231.6000111.9I93 L94P91-I93 HydrophobicContact CB-CG2 4.11Å; P91-I93 PolarHBondContact O-N 3.45Å; P91-I93 VanDerWaalsContact O-N 3.12Å; P91-L94 HydrophobicContact CB-CD1 4.32Å; P91-L94 HydrophobicContact CB-CG 4.19Å; P91-L94 HydrophobicContact CG-CD1 4.14Å; P91-L94 WeakPolarHBondContact O-CB 3.41Å; P91-L94 PolarHBondContact O-N 3.15Å
92V89.2Confident89.7Confident53 Ų5375.3 Ų75.332%0.32136%0.359SS..THydrogen-bonded Turntrans-60.9-27.7-173.9172.90000112.3R85 I90 L94 Y95 P96R85-V92 HydrophobicContact CB-CG2 4.13Å; R85-V92 WeakPolarHBondContact O-CG2 3.37Å; R85-V92 PolarHBondContact O-N 2.81Å; I90-V92 PolarHBondContact O-N 3.24Å; V92-L94 PolarHBondContact O-N 3.37Å; V92-Y95 WeakPolarHBondContact O-CD2 3.26Å; V92-Y95 PolarHBondContact O-N 2.96Å; V92-P96 WeakPolarHBondContact O-CD 3.22Å
93I90.2Very high90.1Very high20 Ų2074.3 Ų74.310%0.10335%0.351CS..THydrogen-bonded Turntrans-64-24177.2-169169.4000113.7E75 V76 L83 P91 Y95 P96 I97E75-I93 HydrophobicContact CB-CG1 4.31Å; E75-I93 WeakPolarHBondContact O-CD1 3.42Å; V76-I93 HydrophobicContact CB-CD1 4.25Å; V76-I93 HydrophobicContact CG2-CD1 3.7Å; L83-I93 HydrophobicContact CD2-CD1 3.56Å; P91-I93 HydrophobicContact CB-CG2 4.11Å; P91-I93 PolarHBondContact O-N 3.45Å; P91-I93 VanDerWaalsContact O-N 3.12Å; I93-Y95 VanDerWaalsContact C-N 3.31Å; I93-Y95 PolarHBondContact O-N 3.45Å; I93-P96 VanDerWaalsContact O-CD 3.3Å; I93-P96 WeakPolarHBondContact O-CD 3.49Å; I93-P96 WeakPolarHBondContact O-CG 3.25Å; I93-I97 HydrophobicContact CD1-CD1 4.44Å; I93-I97 HydrophobicContact CG1-CD1 3.93Å; I93-I97 WeakPolarHBondContact O-CG1 3.42Å
94L91.1Very high90.7Very high85 Ų8570.5 Ų70.545%0.44533%0.331SS..Hα-helixtrans-71.7-25.8-177.3-64.7-179000113I90 P91 V92 Y98I90-L94 HydrophobicContact CG2-CB 4.48Å; I90-L94 HydrophobicContact CG2-CD1 4.11Å; P91-L94 HydrophobicContact CB-CD1 4.32Å; P91-L94 HydrophobicContact CB-CG 4.19Å; P91-L94 HydrophobicContact CG-CD1 4.14Å; P91-L94 WeakPolarHBondContact O-CB 3.41Å; P91-L94 PolarHBondContact O-N 3.15Å; V92-L94 PolarHBondContact O-N 3.37Å; L94-Y98 WeakPolarHBondContact O-CB 3.35Å; L94-Y98 PolarHBondContact O-N 3.48Å
95Y90.2Very high91.1Very high85 Ų8561.2 Ų61.233%0.33330%0.303SS..Hα-helixtrans-63.3-56.5179.2-67.5-86.8000112.9I90 V92 I93 I97 Y98 D99I90-Y95 HydrophobicContact CB-CE2 4.4Å; I90-Y95 HydrophobicContact CG2-CE2 4.1Å; V92-Y95 WeakPolarHBondContact O-CD2 3.26Å; V92-Y95 PolarHBondContact O-N 2.96Å; I93-Y95 VanDerWaalsContact C-N 3.31Å; I93-Y95 PolarHBondContact O-N 3.45Å; Y95-I97 VanDerWaalsContact C-N 3.29Å; Y95-I97 PolarHBondContact O-N 2.8Å; Y95-Y98 PolarHBondContact O-N 3.43Å; Y95-D99 VanDerWaalsContact O-CG 3.3Å; Y95-D99 PolarHBondContact O-N 2.69Å
96P90.3Very high91.3Very high25 Ų2555.8 Ų55.816%0.16228%0.284CS..Hα-helixtrans-67.1-29178.627.3-36.7000113.4E75 V92 I93 S100 Y245E75-P96 HydrophobicContact CG-CB 4.44Å; E75-P96 VanDerWaalsContact OE2-CB 3.31Å; E75-P96 WeakPolarHBondContact OE2-CB 3.35Å; E75-P96 WeakPolarHBondContact OE2-CG 3.46Å; V92-P96 WeakPolarHBondContact O-CD 3.22Å; I93-P96 VanDerWaalsContact O-CD 3.3Å; I93-P96 WeakPolarHBondContact O-CD 3.49Å; I93-P96 WeakPolarHBondContact O-CG 3.25Å; P96-S100 VanDerWaalsContact O-CB 3.29Å; P96-S100 WeakPolarHBondContact O-CB 3.36Å; P96-S100 PolarHBondContact O-N 2.91Å; P96-S100 PolarHBondContact O-OG 3.25Å; P96-Y245 HydrophobicContact CB-CE1 4.3Å; P96-Y245 WeakPolarHBondContact CB-OH 3.41Å; P96-Y245 PolarHBondContact O-OH 3.3Å
97I93.6Very high91.7Very high19 Ų1951.8 Ų51.810%0.09726%0.26CS..Hα-helixtrans-63-52171.9-69.4174.2000109.6I71 V72 E75 I93 Y95 S100 L101I71-I97 HydrophobicContact CG2-CG2 4.42Å; V72-I97 HydrophobicContact CG2-CG2 4.22Å; E75-I97 HydrophobicContact CB-CD1 3.98Å; E75-I97 HydrophobicContact CB-CG1 3.43Å; E75-I97 VanDerWaalsContact CB-CG1 3.43Å; E75-I97 HydrophobicContact CG-CG1 3.54Å; I93-I97 HydrophobicContact CD1-CD1 4.44Å; I93-I97 HydrophobicContact CG1-CD1 3.93Å; I93-I97 WeakPolarHBondContact O-CG1 3.42Å; Y95-I97 VanDerWaalsContact C-N 3.29Å; Y95-I97 PolarHBondContact O-N 2.8Å; I97-S100 PolarHBondContact O-N 2.96Å; I97-L101 HydrophobicContact CG2-CD1 3.63Å; I97-L101 HydrophobicContact CG2-CG 4.33Å; I97-L101 WeakPolarHBondContact O-CB 3.48Å; I97-L101 VanDerWaalsContact O-CG 3.23Å; I97-L101 WeakPolarHBondContact O-CG 3.32Å; I97-L101 PolarHBondContact O-N 3.19Å
98Y93.4Very high92.3Very high61 Ų6146.1 Ų46.124%0.23924%0.238CC..Hα-helixtrans-58.4-51.2179174-92.9000111.2V11 D14 L94 Y95 S100 L101 I102V11-Y98 WeakPolarHBondContact CA-OH 3.06Å; V11-Y98 HydrophobicContact CG1-CE2 4.47Å; V11-Y98 HydrophobicContact CG2-CE1 4.38Å; V11-Y98 HydrophobicContact CG2-CE2 4.38Å; D14-Y98 WeakPolarHBondContact CB-OH 3.48Å; D14-Y98 WeakPolarHBondContact OD2-CE1 3.31Å; D14-Y98 PolarHBondContact OD2-OH 2.89Å; L94-Y98 WeakPolarHBondContact O-CB 3.35Å; L94-Y98 PolarHBondContact O-N 3.48Å; Y95-Y98 PolarHBondContact O-N 3.43Å; Y98-S100 VanDerWaalsContact C-N 3.35Å; Y98-S100 PolarHBondContact O-N 3.32Å; Y98-L101 PolarHBondContact O-N 2.93Å; Y98-I102 HydrophobicContact CD1-CG1 4.2Å; Y98-I102 HydrophobicContact CD2-CG1 4.11Å; Y98-I102 HydrophobicContact CE1-CG1 3.76Å; Y98-I102 HydrophobicContact CE2-CD1 3.91Å; Y98-I102 HydrophobicContact CE2-CG1 3.68Å; Y98-I102 HydrophobicContact CG-CG1 4.35Å; Y98-I102 VanDerWaalsContact CZ-CG1 3.46Å; Y98-I102 WeakPolarHBondContact O-CB 3.49Å; Y98-I102 WeakPolarHBondContact O-CG1 3.24Å; Y98-I102 PolarHBondContact O-N 3.42Å
99D91.6Very high93Very high27 Ų2743 Ų4314%0.14422%0.223CC..Hα-helixtrans-59.2-45.4-178.2-70.2-7.6000111.6R10 Y95 V103 P244R10-D99 IonicContact CZ-OD1 2.64Å; R10-D99 IonicContact NH1-OD1 3.6Å; R10-D99 VanDerWaalsContact NH2-CG 3.25Å; R10-D99 IonicContact NH2-OD1 3.61Å; R10-D99 PolarHBondContact NH2-OD1 3.21Å; R10-D99 IonicContact NH2-OD2 3.4Å; R10-D99 PolarHBondContact NH2-OD2 3.03Å; Y95-D99 VanDerWaalsContact O-CG 3.3Å; Y95-D99 PolarHBondContact O-N 2.69Å; D99-V103 VanDerWaalsContact O-CG2 3.26Å; D99-V103 WeakPolarHBondContact O-CG2 3.27Å; D99-V103 PolarHBondContact O-N 3.1Å; D99-P244 HydrophobicContact CB-CB 4.34Å; D99-P244 HydrophobicContact CB-CG 3.83Å
100S94.1Very high93.5Very high0 Ų037.1 Ų37.10%020%0.196CC..Hα-helixtrans-66.2-40.4178-61.30000112.5P96 I97 Y98 A104 Y245P96-S100 VanDerWaalsContact O-CB 3.29Å; P96-S100 WeakPolarHBondContact O-CB 3.36Å; P96-S100 PolarHBondContact O-N 2.91Å; P96-S100 PolarHBondContact O-OG 3.25Å; I97-S100 PolarHBondContact O-N 2.96Å; Y98-S100 VanDerWaalsContact C-N 3.35Å; Y98-S100 PolarHBondContact O-N 3.32Å; S100-A104 WeakPolarHBondContact O-CB 3.14Å; S100-A104 PolarHBondContact O-N 2.97Å; S100-Y245 PolarHBondContact OG-OH 2.83Å
101L95.8Very high94.1Very high40 Ų4033.4 Ų33.421%0.20918%0.177CC..Hα-helixtrans-68.4-40.5179.1-74.8173000112.1I67 L68 I71 I97 Y98 A104 C105I67-L101 HydrophobicContact CG2-CD2 4.16Å; L68-L101 HydrophobicContact CD1-CD1 4.07Å; L68-L101 HydrophobicContact CD1-CD2 4.15Å; I71-L101 HydrophobicContact CB-CD2 4.44Å; I71-L101 HydrophobicContact CD1-CD2 3.72Å; I71-L101 HydrophobicContact CD1-CG 4.2Å; I71-L101 HydrophobicContact CG2-CG 4.26Å; I97-L101 HydrophobicContact CG2-CD1 3.63Å; I97-L101 HydrophobicContact CG2-CG 4.33Å; I97-L101 WeakPolarHBondContact O-CB 3.48Å; I97-L101 VanDerWaalsContact O-CG 3.23Å; I97-L101 WeakPolarHBondContact O-CG 3.32Å; I97-L101 PolarHBondContact O-N 3.19Å; Y98-L101 PolarHBondContact O-N 2.93Å; L101-A104 WeakPolarHBondContact O-CB 3.32Å; L101-A104 PolarHBondContact O-N 3.24Å; L101-C105 WeakPolarHBondContact O-CB 3.44Å; L101-C105 PolarHBondContact O-N 2.88Å; L101-C105 PolarHBondContact O-SG 2.67Å
102I94.7Very high94.5Very high21 Ų2131.8 Ų31.811%0.10817%0.165CC..Hα-helixtrans-62.5-46.8177.6-72.9-61.7000110.6D14 I18 Y98 A104 C105 F106D14-I102 HydrophobicContact CB-CD1 4.21Å; 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 4.11Å; Y98-I102 HydrophobicContact CE1-CG1 3.76Å; Y98-I102 HydrophobicContact CE2-CD1 3.91Å; Y98-I102 HydrophobicContact CE2-CG1 3.68Å; Y98-I102 HydrophobicContact CG-CG1 4.35Å; Y98-I102 VanDerWaalsContact CZ-CG1 3.46Å; Y98-I102 WeakPolarHBondContact O-CB 3.49Å; Y98-I102 WeakPolarHBondContact O-CG1 3.24Å; Y98-I102 PolarHBondContact O-N 3.42Å; I102-A104 VanDerWaalsContact C-N 3.31Å; I102-A104 PolarHBondContact O-N 3.36Å; I102-C105 PolarHBondContact O-N 3.09Å; I102-F106 HydrophobicContact CG2-CD2 3.61Å; I102-F106 HydrophobicContact CG2-CE2 3.49Å; I102-F106 VanDerWaalsContact CG2-CE2 3.49Å; I102-F106 WeakPolarHBondContact O-CD2 3.27Å; I102-F106 PolarHBondContact O-N 2.88Å
103V94.8Very high94.9Very high16 Ų1629.7 Ų29.710%0.09715%0.154CC..Hα-helixtrans-61.2-42176.2176.50000111.1D99 F106 G107 F177 Y242 L243D99-V103 VanDerWaalsContact O-CG2 3.26Å; D99-V103 WeakPolarHBondContact O-CG2 3.27Å; D99-V103 PolarHBondContact O-N 3.1Å; V103-F106 PolarHBondContact O-N 3.31Å; V103-G107 PolarHBondContact O-N 2.65Å; V103-G107 VanDerWaalsContact O-N 3.09Å; V103-F177 HydrophobicContact CG1-CE2 4.14Å; V103-Y242 VanDerWaalsContact CG2-O 3.29Å; V103-Y242 WeakPolarHBondContact CG2-O 3.42Å; V103-L243 HydrophobicContact CB-CD2 4.41Å; V103-L243 HydrophobicContact CG1-CD2 4.13Å; V103-L243 HydrophobicContact CG1-CG 4.39Å
104A96.9Very high95.3Very high1 Ų133.1 Ų33.11%0.00817%0.172CC..Hα-helixtrans-60.8-45.8174.700000111.8I67 I71 S100 L101 I102 F106 G107 Y108 Y173 F177I67-A104 HydrophobicContact CG2-CB 3.69Å; I71-A104 HydrophobicContact CD1-CB 4.4Å; S100-A104 WeakPolarHBondContact O-CB 3.14Å; S100-A104 PolarHBondContact O-N 2.97Å; L101-A104 WeakPolarHBondContact O-CB 3.32Å; L101-A104 PolarHBondContact O-N 3.24Å; I102-A104 VanDerWaalsContact C-N 3.31Å; I102-A104 PolarHBondContact O-N 3.36Å; A104-F106 PolarHBondContact O-N 2.81Å; A104-G107 PolarHBondContact O-N 3.06Å; A104-Y108 WeakPolarHBondContact O-CB 3.37Å; A104-Y108 PolarHBondContact O-N 2.96Å; A104-Y173 WeakPolarHBondContact CA-OH 3.45Å; A104-Y173 PolarHBondContact O-OH 3.23Å; A104-F177 HydrophobicContact CB-CD1 4.21Å; A104-F177 HydrophobicContact CB-CE1 3.52Å; A104-F177 HydrophobicContact CB-CE2 4.15Å; A104-F177 HydrophobicContact CB-CZ 3.48Å; A104-F177 VanDerWaalsContact CB-CZ 3.48Å
105C96.5Very high95.6Very high48 Ų4829.1 Ų29.132%0.32415%0.151SC..Hα-helixtrans-62.7-43.9178.3-74.90000111.8I18 L101 I102 Y108 F109I18-C105 HydrophobicContact CD1-CB 3.95Å; L101-C105 WeakPolarHBondContact O-CB 3.44Å; L101-C105 PolarHBondContact O-N 2.88Å; L101-C105 PolarHBondContact O-SG 2.67Å; I102-C105 PolarHBondContact O-N 3.09Å; C105-Y108 PolarHBondContact O-N 3.42Å; C105-F109 HydrophobicContact CB-CD2 4.44Å; C105-F109 HydrophobicContact CB-CE2 4.41Å; C105-F109 WeakPolarHBondContact O-CD2 3.31Å; C105-F109 PolarHBondContact O-N 2.92Å
106F95.5Very high95.9Very high54 Ų5425.5 Ų25.524%0.23714%0.138CC..Hα-helixtrans-58.1-52.2176.7-87.8-63.5000112.2F17 I18 L21 I102 V103 A104 Y108 F109 A110F17-F106 HydrophobicContact CB-CE1 3.55Å; F17-F106 HydrophobicContact CB-CZ 3.58Å; I18-F106 HydrophobicContact CD1-CE2 4.29Å; I18-F106 HydrophobicContact CD1-CZ 4.43Å; I18-F106 HydrophobicContact CG1-CD1 4.29Å; I18-F106 HydrophobicContact CG1-CD2 4.41Å; I18-F106 HydrophobicContact CG1-CE1 3.87Å; I18-F106 HydrophobicContact CG1-CE2 4.04Å; I18-F106 HydrophobicContact CG1-CZ 3.73Å; L21-F106 HydrophobicContact CD1-CD1 3.58Å; L21-F106 HydrophobicContact CD1-CE1 3.95Å; I102-F106 HydrophobicContact CG2-CD2 3.61Å; I102-F106 HydrophobicContact CG2-CE2 3.49Å; I102-F106 VanDerWaalsContact CG2-CE2 3.49Å; I102-F106 WeakPolarHBondContact O-CD2 3.27Å; I102-F106 PolarHBondContact O-N 2.88Å; V103-F106 PolarHBondContact O-N 3.31Å; A104-F106 PolarHBondContact O-N 2.81Å; F106-Y108 VanDerWaalsContact C-N 3.29Å; F106-Y108 PolarHBondContact O-N 3.18Å; F106-F109 PolarHBondContact O-N 3.36Å; F106-A110 WeakPolarHBondContact O-CB 3.43Å; F106-A110 PolarHBondContact O-N 2.85Å
107G97.2Very high96.3Very high3 Ų327.4 Ų27.43%0.03115%0.149CC..Hα-helixtrans-63.2-36.6177.600000112.7V103 A104 T111 Y173 V235V103-G107 PolarHBondContact O-N 2.65Å; V103-G107 VanDerWaalsContact O-N 3.09Å; A104-G107 PolarHBondContact O-N 3.06Å; G107-T111 WeakPolarHBondContact O-CB 3.39Å; G107-T111 PolarHBondContact O-N 3.4Å; G107-T111 PolarHBondContact O-OG1 3.49Å; G107-Y173 WeakPolarHBondContact CA-OH 3.29Å; G107-V235 WeakPolarHBondContact O-CG1 3.23Å
108Y98.1Very high96.5Very high15 Ų1527 Ų276%0.05915%0.149CC..Hα-helixtrans-63.5-50.9178.2-166-84.8000111.6Y60 S63 I67 A104 C105 F106 T111 I112 I170 Y173Y60-Y108 HydrophobicContact CD1-CE1 4.49Å; Y60-Y108 WeakPolarHBondContact CD1-OH 3.33Å; S63-Y108 PolarHBondContact OG-OH 2.74Å; I67-Y108 HydrophobicContact CD1-CD2 3.94Å; I67-Y108 HydrophobicContact CD1-CE2 4.34Å; A104-Y108 WeakPolarHBondContact O-CB 3.37Å; A104-Y108 PolarHBondContact O-N 2.96Å; C105-Y108 PolarHBondContact O-N 3.42Å; F106-Y108 VanDerWaalsContact C-N 3.29Å; F106-Y108 PolarHBondContact O-N 3.18Å; Y108-T111 WeakPolarHBondContact O-CB 3.49Å; Y108-T111 PolarHBondContact O-N 3.02Å; Y108-I112 HydrophobicContact CD1-CD1 4.07Å; Y108-I112 HydrophobicContact CE1-CD1 3.89Å; Y108-I112 PolarHBondContact O-N 3.32Å; Y108-I112 VanDerWaalsContact O-N 3.12Å; Y108-I170 HydrophobicContact CD1-CD1 4.39Å; Y108-I170 HydrophobicContact CD2-CG2 4.34Å; Y108-I170 HydrophobicContact CE1-CD1 4.29Å; Y108-I170 HydrophobicContact CE1-CG2 4.43Å; Y108-I170 HydrophobicContact CE2-CD1 4.49Å; Y108-I170 HydrophobicContact CE2-CG2 3.47Å; Y108-I170 VanDerWaalsContact CE2-CG2 3.47Å; Y108-Y173 VanDerWaalsContact CA-CE1 3.49Å; Y108-Y173 AromaticContact CD2-CD1 3.95Å; Y108-Y173 HydrophobicContact CD2-CD1 3.95Å; Y108-Y173 AromaticContact CD2-CE1 3.93Å; Y108-Y173 HydrophobicContact CD2-CE1 3.93Å; Y108-Y173 HydrophobicContact CG-CD1 4.5Å; Y108-Y173 HydrophobicContact CG-CE1 4.28Å; Y108-Y173 VanDerWaalsContact N-CZ 3.32Å; Y108-Y173 PolarHBondContact N-OH 3.37Å
109F97.6Very high96.7Very high47 Ų4725.4 Ų25.421%0.20614%0.143CC..Hα-helixtrans-71-33.3178.5-71.4-63.4000112.9I18 L21 I22 N25 C105 F106 T111 I112 G113I18-F109 HydrophobicContact CG2-CD2 4.1Å; I18-F109 HydrophobicContact CG2-CE2 3.9Å; L21-F109 HydrophobicContact CB-CB 4Å; L21-F109 HydrophobicContact CD1-CB 4.19Å; I22-F109 HydrophobicContact CD1-CE1 4.15Å; I22-F109 HydrophobicContact CD1-CE2 4.08Å; I22-F109 HydrophobicContact CD1-CZ 3.75Å; I22-F109 HydrophobicContact CG1-CD1 3.9Å; I22-F109 HydrophobicContact CG1-CD2 4.37Å; I22-F109 HydrophobicContact CG1-CE1 3.59Å; I22-F109 HydrophobicContact CG1-CE2 4.1Å; I22-F109 HydrophobicContact CG1-CG 4.3Å; I22-F109 HydrophobicContact CG1-CZ 3.7Å; N25-F109 PolarHBondContact ND2-O 3.29Å; C105-F109 HydrophobicContact CB-CD2 4.44Å; C105-F109 HydrophobicContact CB-CE2 4.41Å; C105-F109 WeakPolarHBondContact O-CD2 3.31Å; C105-F109 PolarHBondContact O-N 2.92Å; F106-F109 PolarHBondContact O-N 3.36Å; 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 3.34Å
110A96.9Very high96.9Very high31 Ų3125.1 Ų25.126%0.25614%0.142SC..Hα-helixtrans-62.7-40.617100000111.3F106 I112 G113 L114F106-A110 WeakPolarHBondContact O-CB 3.43Å; F106-A110 PolarHBondContact O-N 2.85Å; A110-I112 VanDerWaalsContact C-N 3.35Å; A110-I112 PolarHBondContact O-N 2.94Å; A110-G113 PolarHBondContact O-N 3.32Å; A110-L114 WeakPolarHBondContact O-CB 3.16Å; A110-L114 VanDerWaalsContact O-CG 3.3Å; A110-L114 WeakPolarHBondContact O-CG 3.27Å; A110-L114 PolarHBondContact O-N 2.87Å
111T98.4Very high97Very high0 Ų028.7 Ų28.70%017%0.167CC..Hα-helixtrans-60.3-43.9175.1-60.90000111.3G107 Y108 F109 T115 I170 Y173 L231 V235G107-T111 WeakPolarHBondContact O-CB 3.39Å; G107-T111 PolarHBondContact O-N 3.4Å; G107-T111 PolarHBondContact O-OG1 3.49Å; Y108-T111 WeakPolarHBondContact O-CB 3.49Å; Y108-T111 PolarHBondContact O-N 3.02Å; 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 3.4Å; T111-T115 PolarHBondContact O-OG1 2.83Å; T111-I170 HydrophobicContact CG2-CD1 3.66Å; T111-I170 HydrophobicContact CG2-CG1 4.32Å; T111-Y173 WeakPolarHBondContact OG1-CD2 3.13Å; T111-L231 HydrophobicContact CG2-CD2 3.81Å; T111-V235 VanDerWaalsContact OG1-CG1 3.3Å; T111-V235 WeakPolarHBondContact OG1-CG1 3.3Å
112I98.1Very high97Very high17 Ų1732.5 Ų32.59%0.08718%0.183CC..Hα-helixtrans-58.7-53.1174.2-63.8178.8000110N25 Y60 Y108 F109 A110 T115 D116 I170N25-I112 HydrophobicContact CB-CG2 4.13Å; Y60-I112 HydrophobicContact CE1-CD1 4.32Å; Y108-I112 HydrophobicContact CD1-CD1 4.07Å; Y108-I112 HydrophobicContact CE1-CD1 3.89Å; Y108-I112 PolarHBondContact O-N 3.32Å; Y108-I112 VanDerWaalsContact O-N 3.12Å; F109-I112 HydrophobicContact CD1-CD1 4.16Å; F109-I112 PolarHBondContact O-N 3.47Å; A110-I112 VanDerWaalsContact C-N 3.35Å; A110-I112 PolarHBondContact O-N 2.94Å; I112-T115 WeakPolarHBondContact O-CB 3.36Å; I112-T115 PolarHBondContact O-N 2.87Å; I112-D116 PolarHBondContact O-N 3.15Å; I112-I170 HydrophobicContact CD1-CD1 4.27Å; I112-I170 HydrophobicContact CG1-CD1 3.4Å; I112-I170 VanDerWaalsContact CG1-CD1 3.4Å; I112-I170 HydrophobicContact CG1-CG1 4.18Å
113G97.7Very high97Very high9 Ų931.5 Ų31.59%0.09318%0.177CC..Hα-helixtrans-60.9-49.9-17600000113.1N25 F109 A110 T115 D116 V117N25-G113 WeakPolarHBondContact OD1-CA 3.36Å; N25-G113 PolarHBondContact OD1-N 2.95Å; F109-G113 PolarHBondContact O-N 3.34Å; A110-G113 PolarHBondContact O-N 3.32Å; G113-T115 VanDerWaalsContact C-N 3.29Å; G113-T115 PolarHBondContact O-N 3.03Å; G113-D116 PolarHBondContact O-N 3.5Å; G113-D116 VanDerWaalsContact O-N 3.1Å; G113-V117 WeakPolarHBondContact O-CG2 3.25Å; G113-V117 PolarHBondContact O-N 3.12Å
114L98.1Very high97.1Very high92 Ų9233.4 Ų33.448%0.48218%0.183SC..Hα-helixtrans-61.9-37.9177.9-68.9171.6000112A110 G118 L231 V235A110-L114 WeakPolarHBondContact O-CB 3.16Å; A110-L114 VanDerWaalsContact O-CG 3.3Å; A110-L114 WeakPolarHBondContact O-CG 3.27Å; A110-L114 PolarHBondContact O-N 2.87Å; L114-G118 PolarHBondContact O-N 3.38Å; L114-G118 VanDerWaalsContact O-N 3.09Å; L114-L231 HydrophobicContact CB-CD1 4.06Å; L114-L231 HydrophobicContact CB-CD2 4.27Å; L114-L231 HydrophobicContact CB-CG 4.47Å; L114-V235 HydrophobicContact CD1-CG2 3.72Å
115T98.3Very high97.1Very high1 Ų133.4 Ų33.41%0.00618%0.183CC..Hα-helixtrans-63.3-44.9173.9-57.50000110.8T111 I112 G113 G118 K119 P164 S169T111-T115 VanDerWaalsContact O-CB 3.27Å; T111-T115 WeakPolarHBondContact O-CB 3.49Å; T111-T115 PolarHBondContact O-N 3.4Å; T111-T115 PolarHBondContact O-OG1 2.83Å; I112-T115 WeakPolarHBondContact O-CB 3.36Å; I112-T115 PolarHBondContact O-N 2.87Å; G113-T115 VanDerWaalsContact C-N 3.29Å; G113-T115 PolarHBondContact O-N 3.03Å; T115-G118 PolarHBondContact O-N 2.88Å; T115-K119 HydrophobicContact CG2-CD 4.34Å; T115-K119 WeakPolarHBondContact O-CG 3.34Å; T115-K119 PolarHBondContact O-N 2.85Å; T115-P164 HydrophobicContact CG2-CG 3.92Å; T115-S169 WeakPolarHBondContact OG1-CB 3.21Å; T115-S169 PolarHBondContact OG1-OG 3.49Å
116D97.2Very high97.1Very high9 Ų933.6 Ų33.65%0.04818%0.177CC..Hα-helixtrans-70.5-36.1-178.1-72.4-21.9000112L28 Q29 I112 G113 G118 K119 V120L28-D116 HydrophobicContact CB-CB 4.15Å; Q29-D116 WeakPolarHBondContact CG-OD2 3.5Å; Q29-D116 PolarHBondContact NE2-OD2 3.06Å; I112-D116 PolarHBondContact O-N 3.15Å; G113-D116 PolarHBondContact O-N 3.5Å; G113-D116 VanDerWaalsContact O-N 3.1Å; D116-G118 VanDerWaalsContact C-N 3.3Å; D116-G118 PolarHBondContact O-N 2.94Å; D116-K119 PolarHBondContact O-N 2.88Å; D116-K119 WeakPolarHBondContact OD1-CD 3.28Å; D116-K119 IonicContact OD1-NZ 2.7Å; D116-K119 PolarHBondContact OD1-NZ 3.04Å; D116-V120 WeakPolarHBondContact O-CG1 3.49Å; D116-V120 WeakPolarHBondContact O-CG2 3.34Å; D116-V120 PolarHBondContact O-N 2.84Å
117V97.8Very high97.2Very high65 Ų6531.1 Ų31.139%0.39417%0.166SC..Hα-helixtrans-54.9-46.3167.7169.80000110.8L28 G113 V120 S121L28-V117 HydrophobicContact CD1-CG2 3.92Å; L28-V117 HydrophobicContact CD2-CG2 4.12Å; G113-V117 WeakPolarHBondContact O-CG2 3.25Å; G113-V117 PolarHBondContact O-N 3.12Å; V117-V120 VanDerWaalsContact O-CG2 3.27Å; V117-V120 WeakPolarHBondContact O-CG2 3.44Å; V117-S121 VanDerWaalsContact O-CB 3.24Å; V117-S121 WeakPolarHBondContact O-CB 3.39Å; V117-S121 PolarHBondContact O-N 3.41Å; V117-S121 PolarHBondContact O-OG 2.95Å
118G97.3Very high97.1Very high9 Ų931.1 Ų31.19%0.09317%0.165CC..Hα-helixtrans-59.8-50.317500000112L114 T115 D116 V120 S121 F122 F163L114-G118 PolarHBondContact O-N 3.38Å; L114-G118 VanDerWaalsContact O-N 3.09Å; T115-G118 PolarHBondContact O-N 2.88Å; D116-G118 VanDerWaalsContact C-N 3.3Å; D116-G118 PolarHBondContact O-N 2.94Å; G118-V120 VanDerWaalsContact C-N 3.32Å; G118-V120 PolarHBondContact O-N 3.49Å; G118-S121 PolarHBondContact O-N 3.34Å; G118-F122 WeakPolarHBondContact O-CD2 3.32Å; G118-F122 PolarHBondContact O-N 2.91Å; G118-F163 CarbonylContact C-O 3.58Å
119K97.5Very high97Very high28 Ų2830.4 Ų30.412%0.12216%0.162CC..Hα-helixtrans-59.6-40.6-178.2-72.2166.9-174.6160.50113.1T115 D116 G123 K161 F163 P164T115-K119 HydrophobicContact CG2-CD 4.34Å; T115-K119 WeakPolarHBondContact O-CG 3.34Å; T115-K119 PolarHBondContact O-N 2.85Å; D116-K119 PolarHBondContact O-N 2.88Å; D116-K119 WeakPolarHBondContact OD1-CD 3.28Å; D116-K119 IonicContact OD1-NZ 2.7Å; D116-K119 PolarHBondContact OD1-NZ 3.04Å; K119-G123 PolarHBondContact O-N 3.27Å; K119-K161 HydrophobicContact CB-CB 4.01Å; K119-K161 HydrophobicContact CB-CD 4.41Å; K119-K161 HydrophobicContact CB-CG 4.13Å; K119-K161 HydrophobicContact CD-CB 4.1Å; K119-K161 HydrophobicContact CG-CB 4.17Å; K119-F163 WeakPolarHBondContact CA-O 3.38Å; K119-F163 PolarHBondContact N-O 3.42Å; K119-P164 WeakPolarHBondContact CE-O 3.29Å
120V96.2Very high96.9Very high21 Ų2129.7 Ų29.713%0.12716%0.161CC..Hα-helixtrans-73.3-37.7179.6-59.50000111.5V31 Y34 D116 V117 G118V31-V120 HydrophobicContact CB-CG1 4.04Å; V31-V120 HydrophobicContact CG1-CB 4.19Å; V31-V120 HydrophobicContact CG1-CG1 4.04Å; Y34-V120 PolarHBondContact N-O 2.99Å; D116-V120 WeakPolarHBondContact O-CG1 3.49Å; D116-V120 WeakPolarHBondContact O-CG2 3.34Å; D116-V120 PolarHBondContact O-N 2.84Å; V117-V120 VanDerWaalsContact O-CG2 3.27Å; V117-V120 WeakPolarHBondContact O-CG2 3.44Å; G118-V120 VanDerWaalsContact C-N 3.32Å; G118-V120 PolarHBondContact O-N 3.49Å
121S96.4Very high96.7Very high75 Ų7531.6 Ų31.652%0.52417%0.166SC..Hα-helixtrans-70.7-48.9-179-57.40000112.6V117 G118V117-S121 VanDerWaalsContact O-CB 3.24Å; V117-S121 WeakPolarHBondContact O-CB 3.39Å; V117-S121 PolarHBondContact O-N 3.41Å; V117-S121 PolarHBondContact O-OG 2.95Å; G118-S121 PolarHBondContact O-N 3.34Å
122F96.2Very high96.5Very high121 Ų12133.3 Ų33.353%0.53118%0.177SC..Hα-helixtrans-80.6-32.2-174.9-69.2-68.9000113.2G118 R124 F163G118-F122 WeakPolarHBondContact O-CD2 3.32Å; G118-F122 PolarHBondContact O-N 2.91Å; F122-R124 PolarHBondContact O-N 2.91Å; F122-F163 HydrophobicContact CB-CD1 4.49Å; F122-F163 AromaticContact CD2-CD1 3.38Å; F122-F163 HydrophobicContact CD2-CD1 3.38Å; F122-F163 AromaticContact CD2-CE1 3.84Å; F122-F163 HydrophobicContact CD2-CE1 3.84Å; F122-F163 AromaticContact CE2-CD1 3.64Å; F122-F163 HydrophobicContact CE2-CD1 3.64Å; F122-F163 AromaticContact CE2-CE1 3.56Å; F122-F163 HydrophobicContact CE2-CE1 3.56Å; F122-F163 AromaticContact CG-CD1 3.94Å; F122-F163 HydrophobicContact CG-CD1 3.94Å; F122-F163 HydrophobicContact CZ-CD1 4.38Å; F122-F163 HydrophobicContact CZ-CE1 4.07Å
123G95.1Very high96.3Very high0 Ų032.5 Ų32.50%017%0.173CC..  trans56.722.4-179.600000114.8Y34 R36 K119 L125 R160Y34-G123 WeakPolarHBondContact O-CA 3.05Å; R36-G123 WeakPolarHBondContact CD-O 3.28Å; R36-G123 VanDerWaalsContact CG-O 3.3Å; R36-G123 WeakPolarHBondContact CG-O 3.25Å; K119-G123 PolarHBondContact O-N 3.27Å; G123-L125 PolarHBondContact O-N 2.97Å; G123-R160 CarbonylContact C-O 3.48Å; G123-R160 WeakPolarHBondContact CA-O 3.29Å
124R96.9Very high96Very high56 Ų5638.4 Ų38.421%0.21120%0.196CC..PPolyproline II helixtrans-60130.7-175.2-172-174.8-178.2168.16.8110.3F122 R160 S162 F163 H221 S223 D224F122-R124 PolarHBondContact O-N 2.91Å; R124-R160 PolarHBondContact N-O 3.46Å; R124-R160 CarbonylContact O-C 3.51Å; R124-S162 WeakPolarHBondContact O-CB 3.35Å; R124-S162 PolarHBondContact O-N 3.49Å; R124-F163 HydrophobicContact CB-CB 3.92Å; R124-H221 PolarHBondContact NE-ND1 3.27Å; R124-H221 VanDerWaalsContact NH2-CG 3.34Å; R124-S223 PolarHBondContact NH1-OG 3.02Å; R124-S223 PolarHBondContact NH2-OG 2.95Å; R124-D224 WeakPolarHBondContact CD-OD1 3.35Å; R124-D224 IonicContact CZ-OD1 2.66Å; R124-D224 IonicContact NE-OD1 2.82Å; R124-D224 IonicContact NH1-OD1 3.31Å; R124-D224 PolarHBondContact NH1-OD1 2.9Å
125L96.6Very high95.7Very high1 Ų135.7 Ų35.71%0.00518%0.183CC..PPolyproline II helixtrans-69.8142.7176.4-51.9-175.3000110.4R36 Y38 I45 G123 F129 P159 R160 S162 H221R36-L125 HydrophobicContact CG-CD1 4.4Å; R36-L125 HydrophobicContact CG-CD2 3.73Å; R36-L125 HydrophobicContact CG-CG 3.82Å; Y38-L125 HydrophobicContact CD1-CD1 3.99Å; Y38-L125 HydrophobicContact CG-CD1 4.19Å; I45-L125 HydrophobicContact CD1-CD1 4.08Å; I45-L125 HydrophobicContact CG2-CB 3.9Å; G123-L125 PolarHBondContact O-N 2.97Å; L125-F129 HydrophobicContact CB-CB 4.07Å; L125-F129 HydrophobicContact CB-CD2 4.09Å; L125-F129 HydrophobicContact CB-CG 3.98Å; L125-F129 HydrophobicContact CD1-CD1 3.86Å; L125-F129 HydrophobicContact CD1-CD2 4.46Å; L125-F129 HydrophobicContact CD1-CE1 3.98Å; L125-F129 HydrophobicContact CD1-CG 4.11Å; L125-F129 HydrophobicContact CD1-CZ 4.36Å; L125-F129 HydrophobicContact CD2-CD2 3.78Å; L125-F129 HydrophobicContact CD2-CE1 4.41Å; L125-F129 HydrophobicContact CD2-CE2 3.66Å; L125-F129 HydrophobicContact CD2-CG 4.26Å; L125-F129 HydrophobicContact CD2-CZ 3.97Å; L125-F129 HydrophobicContact CG-CD2 4.3Å; L125-F129 HydrophobicContact CG-CG 4.32Å; L125-P159 CarbonylContact C-O 3.56Å; L125-R160 HydrophobicContact CD2-CB 4.42Å; L125-R160 HydrophobicContact CD2-CG 3.81Å; L125-S162 WeakPolarHBondContact O-CB 3.29Å; L125-H221 PolarHBondContact O-CE1 3.4Å
126R96.8Very high95.3Very high52 Ų5238.1 Ų38.120%0.19620%0.2CC..PPolyproline II helixtrans-76.7161.2176.4-73-173.4-179177.6-0.2112.1N128 F129 A158 P159 K161 K219R126-N128 WeakPolarHBondContact CB-OD1 3.3Å; R126-N128 PolarHBondContact O-N 2.88Å; R126-N128 VanDerWaalsContact O-N 3.11Å; R126-F129 VanDerWaalsContact O-CB 3.22Å; R126-F129 WeakPolarHBondContact O-CB 3.34Å; R126-F129 PolarHBondContact O-N 3.45Å; R126-A158 PolarHBondContact NE-O 3.38Å; R126-P159 WeakPolarHBondContact CB-O 3.32Å; R126-P159 WeakPolarHBondContact CG-O 3.43Å; R126-P159 PolarHBondContact N-O 2.87Å; R126-K161 PolarHBondContact NE-O 2.65Å; R126-K161 VanDerWaalsContact NE-O 3.16Å; R126-K161 PolarHBondContact NH2-O 2.76Å; R126-K219 VanDerWaalsContact CD-O 3.25Å; R126-K219 WeakPolarHBondContact CD-O 3.02Å; R126-K219 VanDerWaalsContact CG-O 3.3Å; R126-K219 WeakPolarHBondContact CG-O 3.48Å
127P97.8Very high94.7Very high2 Ų243.7 Ų43.71%0.01323%0.23CC..THydrogen-bonded Turntrans-59.7-25177.1-23.732.8000115S44 I45 K46 K47 N218S44-P127 WeakPolarHBondContact O-CA 3.35Å; I45-P127 CarbonylContact C-O 3.59Å; I45-P127 VanDerWaalsContact CA-O 3.27Å; I45-P127 WeakPolarHBondContact CA-O 3.21Å; K46-P127 PolarHBondContact N-O 3.16Å; K47-P127 HydrophobicContact CB-CB 4.3Å; K47-P127 WeakPolarHBondContact CB-O 3.12Å; K47-P127 HydrophobicContact CD-CB 3.94Å; K47-P127 HydrophobicContact CG-CB 4.2Å; K47-P127 PolarHBondContact N-O 3.19Å; P127-N218 HydrophobicContact CB-CB 4.48Å
128N95.3Very high94.2Very high3 Ų344.3 Ų44.32%0.01623%0.231CC..THydrogen-bonded Turntrans-10222.6177.66010.7000114K47 F49 R126 L130 D131 V132 N218K47-N128 WeakPolarHBondContact O-CA 3.14Å; K47-N128 WeakPolarHBondContact O-CB 2.9Å; F49-N128 HydrophobicContact CB-CB 4.47Å; R126-N128 WeakPolarHBondContact CB-OD1 3.3Å; R126-N128 PolarHBondContact O-N 2.88Å; R126-N128 VanDerWaalsContact O-N 3.11Å; N128-L130 PolarHBondContact O-N 2.95Å; N128-D131 PolarHBondContact O-N 3.21Å; N128-V132 WeakPolarHBondContact O-CG2 3.16Å; N128-V132 PolarHBondContact O-N 3.26Å; N128-N218 HydrophobicContact CB-CB 4.5Å; N128-N218 VanDerWaalsContact CG-O 3.3Å; N128-N218 PolarHBondContact ND2-O 3.24Å; N128-N218 VanDerWaalsContact ND2-O 3.12Å
129F95.7Very high93.7Very high0 Ų050.5 Ų50.50%026%0.258CS..Hα-helixtrans-57.9-49-174.5179.1-99.3000112.8Y38 I45 L125 R126 D131 V132 C133 F149 P159 R160Y38-F129 HydrophobicContact CD1-CE1 4.34Å; Y38-F129 HydrophobicContact CE1-CE1 4.12Å; I45-F129 HydrophobicContact CB-CB 4.14Å; I45-F129 HydrophobicContact CD1-CD1 4.45Å; L125-F129 HydrophobicContact CB-CB 4.07Å; L125-F129 HydrophobicContact CB-CD2 4.09Å; L125-F129 HydrophobicContact CB-CG 3.98Å; L125-F129 HydrophobicContact CD1-CD1 3.86Å; L125-F129 HydrophobicContact CD1-CD2 4.46Å; L125-F129 HydrophobicContact CD1-CE1 3.98Å; L125-F129 HydrophobicContact CD1-CG 4.11Å; L125-F129 HydrophobicContact CD1-CZ 4.36Å; L125-F129 HydrophobicContact CD2-CD2 3.78Å; L125-F129 HydrophobicContact CD2-CE1 4.41Å; L125-F129 HydrophobicContact CD2-CE2 3.66Å; L125-F129 HydrophobicContact CD2-CG 4.26Å; L125-F129 HydrophobicContact CD2-CZ 3.97Å; L125-F129 HydrophobicContact CG-CD2 4.3Å; L125-F129 HydrophobicContact CG-CG 4.32Å; R126-F129 VanDerWaalsContact O-CB 3.22Å; R126-F129 WeakPolarHBondContact O-CB 3.34Å; R126-F129 PolarHBondContact O-N 3.45Å; F129-D131 PolarHBondContact O-N 3.43Å; F129-V132 PolarHBondContact O-N 2.97Å; F129-C133 HydrophobicContact CD1-CB 4.49Å; F129-C133 HydrophobicContact CE1-CB 4.13Å; F129-C133 HydrophobicContact CE2-CB 4.26Å; F129-C133 HydrophobicContact CZ-CB 4Å; F129-C133 WeakPolarHBondContact O-CB 3.46Å; F129-C133 PolarHBondContact O-N 2.88Å; F129-F149 AromaticContact CE1-CE2 3.68Å; F129-F149 HydrophobicContact CE1-CE2 3.68Å; F129-F149 AromaticContact CE1-CZ 3.67Å; F129-F149 HydrophobicContact CE1-CZ 3.67Å; F129-F149 AromaticContact CZ-CE2 3.49Å; F129-F149 HydrophobicContact CZ-CE2 3.49Å; F129-F149 VanDerWaalsContact CZ-CE2 3.49Å; F129-F149 AromaticContact CZ-CZ 3.52Å; F129-F149 HydrophobicContact CZ-CZ 3.52Å; F129-P159 HydrophobicContact CD2-CB 3.47Å; F129-P159 VanDerWaalsContact CD2-CB 3.47Å; F129-P159 HydrophobicContact CE2-CB 4Å; F129-P159 HydrophobicContact CG-CB 4.45Å; F129-R160 HydrophobicContact CE2-CG 3.78Å
130L94.4Very high93.3Very high32 Ų3252.7 Ų52.717%0.16827%0.273CS..Hα-helixtrans-69-35.7-173.8-65.9174.2000112.5Y38 I45 K46 N128 K134 P135Y38-L130 HydrophobicContact CD2-CD2 4.45Å; Y38-L130 HydrophobicContact CE1-CD2 4.42Å; Y38-L130 HydrophobicContact CE2-CD2 3.72Å; I45-L130 HydrophobicContact CD1-CD1 4.06Å; I45-L130 HydrophobicContact CD1-CD2 4.3Å; I45-L130 HydrophobicContact CD1-CG 4.05Å; I45-L130 HydrophobicContact CG1-CD1 3.9Å; I45-L130 HydrophobicContact CG1-CG 4.13Å; I45-L130 WeakPolarHBondContact O-CG 3.38Å; I45-L130 PolarHBondContact O-N 2.95Å; K46-L130 HydrophobicContact CD-CD1 4.45Å; K46-L130 HydrophobicContact CG-CD1 3.46Å; K46-L130 VanDerWaalsContact CG-CD1 3.46Å; N128-L130 PolarHBondContact O-N 2.95Å; L130-K134 WeakPolarHBondContact O-CA 3.33Å; L130-K134 PolarHBondContact O-N 2.94Å; L130-P135 HydrophobicContact CD2-CG 3.79Å
131D93.8Very high93.2Very high71 Ų7155.2 Ų55.238%0.3829%0.289SS..Hα-helixtrans-68.3-36.2177.6-170.137.5000112.4F49 N128 F129 K134F49-D131 VanDerWaalsContact CB-OD2 3.29Å; F49-D131 WeakPolarHBondContact CB-OD2 3.4Å; F49-D131 PolarHBondContact N-OD2 3.39Å; N128-D131 PolarHBondContact O-N 3.21Å; F129-D131 PolarHBondContact O-N 3.43Å; D131-K134 WeakPolarHBondContact O-CE 3.45Å; D131-K134 WeakPolarHBondContact O-CG 3.3Å
132V93.4Very high93Very high36 Ų3659 Ų5922%0.21831%0.308CS..Hα-helixtrans-80.4-46.7177.7-179.10000112F49 N128 F129 S153 P159F49-V132 HydrophobicContact CB-CG2 4.16Å; F49-V132 HydrophobicContact CD2-CG2 3.49Å; F49-V132 VanDerWaalsContact CD2-CG2 3.49Å; F49-V132 HydrophobicContact CE2-CG2 4.24Å; F49-V132 HydrophobicContact CG-CG2 4.16Å; N128-V132 WeakPolarHBondContact O-CG2 3.16Å; N128-V132 PolarHBondContact O-N 3.26Å; F129-V132 PolarHBondContact O-N 2.97Å; V132-S153 PolarHBondContact O-OG 2.99Å; V132-P159 HydrophobicContact CB-CG 3.84Å; V132-P159 HydrophobicContact CG1-CG 3.48Å; V132-P159 VanDerWaalsContact CG1-CG 3.48Å
133C92.9Very high92.8Very high0 Ų060.8 Ų60.80%032%0.32CS..Hα-helixtrans-72.8-37.8-175.7169.60000112.3F129 C151 S152F129-C133 HydrophobicContact CD1-CB 4.49Å; F129-C133 HydrophobicContact CE1-CB 4.13Å; F129-C133 HydrophobicContact CE2-CB 4.26Å; F129-C133 HydrophobicContact CZ-CB 4Å; F129-C133 WeakPolarHBondContact O-CB 3.46Å; F129-C133 PolarHBondContact O-N 2.88Å; C133-C151 HydrophobicContact CB-CB 3.97Å; C133-C151 WeakPolarHBondContact CB-SG 3.48Å; C133-C151 CarbonylContact O-C 3.09Å; C133-C151 VanDerWaalsContact O-CA 3.28Å; C133-C151 WeakPolarHBondContact O-CA 3.47Å; C133-C151 WeakPolarHBondContact O-CB 3.24Å; C133-C151 VanDerWaalsContact SG-CA 3.5Å; C133-C151 WeakPolarHBondContact SG-CB 3.41Å; C133-C151 CovalentContact SG-SG 2.04Å; C133-C151 PolarHBondContact SG-SG 3.36Å; C133-S152 PolarHBondContact O-N 3.5Å
134K92.5Very high92.7Very high133 Ų13361.7 Ų61.758%0.57833%0.33SS*.  trans45.468.7-171.9-60.1-176.4-179.6-178.40111.4L130 D131L130-K134 WeakPolarHBondContact O-CA 3.33Å; L130-K134 PolarHBondContact O-N 2.94Å; D131-K134 WeakPolarHBondContact O-CE 3.45Å; D131-K134 WeakPolarHBondContact O-CG 3.3Å
135P91.2Very high92.6Very high34 Ų3462.5 Ų62.522%0.22134%0.335CS..EExtended strand (participates in β ladder)trans-68137.3-168.328.4-35000112.3Y38 L130 L138 F149 T150Y38-P135 VanDerWaalsContact OH-CG 3.28Å; Y38-P135 WeakPolarHBondContact OH-CG 3.46Å; L130-P135 HydrophobicContact CD2-CG 3.79Å; P135-L138 HydrophobicContact CB-CD2 3.97Å; P135-L138 HydrophobicContact CG-CD2 4.31Å; P135-F149 HydrophobicContact CB-CB 4.33Å; P135-F149 HydrophobicContact CB-CD2 3.78Å; P135-F149 HydrophobicContact CB-CE2 4.45Å; P135-F149 HydrophobicContact CB-CG 4.34Å; P135-T150 CarbonylContact C-O 2.97Å; P135-T150 VanDerWaalsContact CA-O 3.27Å; P135-T150 WeakPolarHBondContact CA-O 3.41Å
136S89.3Confident92.5Very high52 Ų5262.4 Ų62.436%0.36434%0.335SS..EExtended strand (participates in β ladder)trans-122.7162.8173.951.30000111.2T150S136-T150 PolarHBondContact N-O 3.26Å; S136-T150 PolarHBondContact O-N 3.4Å; S136-T150 VanDerWaalsContact O-N 3.1Å; S136-T150 PolarHBondContact O-OG1 3.4Å; S136-T150 PolarHBondContact OG-OG1 2.9Å
137N86.2Confident92.2Very high126 Ų12661.5 Ų61.567%0.67434%0.341SS*.SBendtrans57.752-179.2-54.9-41.7000112.5Q139 T150N137-Q139 PolarHBondContact O-N 2.99Å; N137-T150 PolarHBondContact ND2-OG1 2.72Å
138L85.9Confident91.7Very high78 Ų7866.9 Ų66.941%0.40837%0.37SS..  trans-68.6115.9-178.4-59.9171.6000110.1Y38 P135 T140 V146 F149Y38-L138 WeakPolarHBondContact OH-CD2 3.35Å; P135-L138 HydrophobicContact CB-CD2 3.97Å; P135-L138 HydrophobicContact CG-CD2 4.31Å; L138-T140 HydrophobicContact CB-CG2 4.26Å; L138-V146 HydrophobicContact CD2-CG1 3.75Å; L138-V146 HydrophobicContact CD2-CG2 4.16Å; L138-F149 HydrophobicContact CD2-CB 4.08Å
139Q87.4Confident91.5Very high140 Ų14068.2 Ų68.265%0.65438%0.375SS*.  trans-94.5108.6165.7-68.7-170.8-7.700109.1N137 D148N137-Q139 PolarHBondContact O-N 2.99Å; Q139-D148 PolarHBondContact N-O 3.27Å
140T90.2Very high91.2Very high73 Ų7371.4 Ų71.445%0.44840%0.395SS..BIsolated β-bridgetrans-108.7135.8-173.8550000111.4I40 L138 F145 V146I40-T140 HydrophobicContact CD1-CG2 3.35Å; I40-T140 HydrophobicContact CG1-CG2 4.06Å; L138-T140 HydrophobicContact CB-CG2 4.26Å; T140-F145 CarbonylContact C-O 3.21Å; T140-F145 VanDerWaalsContact CA-O 3.29Å; T140-F145 WeakPolarHBondContact CA-O 3.11Å; T140-V146 HydrophobicContact CG2-CG2 3.74Å
141T92.3Very high91Very high74 Ų7471.4 Ų71.445%0.45440%0.397SS..  trans-69.3168.616671.30000110.9M143 G144 F145T141-M143 PolarHBondContact O-N 3.46Å; T141-M143 VanDerWaalsContact O-N 3.13Å; T141-M143 PolarHBondContact OG1-N 3.33Å; T141-G144 PolarHBondContact O-N 2.87Å; T141-F145 HydrophobicContact CG2-CB 4.12Å; T141-F145 HydrophobicContact CG2-CD1 4.35Å; T141-F145 PolarHBondContact N-O 3.18Å; T141-F145 WeakPolarHBondContact OG1-CB 3.22Å; T141-F145 PolarHBondContact OG1-N 3.31Å
142V92.1Very high90.7Very high155 Ų15572.5 Ų72.594%0.93941%0.411SS*.THydrogen-bonded Turntrans-54.7-32.1175.5-176.60000112.1G144V142-G144 VanDerWaalsContact C-N 3.27Å; V142-G144 PolarHBondContact O-N 2.92Å
143M93.3Very high90Very high158 Ų15872.5 Ų72.578%0.77841%0.412SS*.THydrogen-bonded Turntrans-868.3177.9-60.7-56.7-63.700113.5T141T141-M143 PolarHBondContact O-N 3.46Å; T141-M143 VanDerWaalsContact O-N 3.13Å; T141-M143 PolarHBondContact OG1-N 3.33Å
144G92.6Very high89Confident19 Ų1980.6 Ų80.620%0.19646%0.455CS..  trans75.222.3178.400000114.8F39 I40 T141 V142F39-G144 WeakPolarHBondContact CA-O 3.21Å; I40-G144 WeakPolarHBondContact CG1-O 3.2Å; I40-G144 PolarHBondContact N-O 3.46Å; T141-G144 PolarHBondContact O-N 2.87Å; V142-G144 VanDerWaalsContact C-N 3.27Å; V142-G144 PolarHBondContact O-N 2.92Å
145F95.3Very high87.9Confident73 Ų7382.2 Ų82.232%0.3246%0.462SS..EExtended strand (participates in β ladder)trans-83.2127172.7-177.8-99.5000110.5F39 T140 T141F39-F145 HydrophobicContact CD1-CB 3.97Å; F39-F145 HydrophobicContact CD1-CD2 4.21Å; F39-F145 HydrophobicContact CD2-CD2 4.16Å; F39-F145 HydrophobicContact CE1-CB 3.72Å; F39-F145 AromaticContact CE1-CD2 3.98Å; F39-F145 HydrophobicContact CE1-CD2 3.98Å; F39-F145 HydrophobicContact CE1-CG 4.33Å; F39-F145 AromaticContact CE2-CD2 3.92Å; F39-F145 HydrophobicContact CE2-CD2 3.92Å; F39-F145 HydrophobicContact CE2-CE2 4.5Å; F39-F145 HydrophobicContact CG-CD2 4.3Å; F39-F145 HydrophobicContact CZ-CB 4.33Å; F39-F145 AromaticContact CZ-CD2 3.82Å; F39-F145 HydrophobicContact CZ-CD2 3.82Å; F39-F145 HydrophobicContact CZ-CG 4.5Å; T140-F145 CarbonylContact C-O 3.21Å; T140-F145 VanDerWaalsContact CA-O 3.29Å; T140-F145 WeakPolarHBondContact CA-O 3.11Å; T141-F145 HydrophobicContact CG2-CB 4.12Å; T141-F145 HydrophobicContact CG2-CD1 4.35Å; T141-F145 PolarHBondContact N-O 3.18Å; T141-F145 WeakPolarHBondContact OG1-CB 3.22Å; T141-F145 PolarHBondContact OG1-N 3.31Å
146V94.1Very high87.1Confident0 Ų082.2 Ų82.20%046%0.463CS..EExtended strand (participates in β ladder)trans-97.4108.1174.7-173.90000108.4G37 Y38 I40 L138 T140 F149G37-V146 CarbonylContact C-O 3.56Å; G37-V146 WeakPolarHBondContact CA-O 3.33Å; Y38-V146 HydrophobicContact CD1-CB 4.49Å; Y38-V146 HydrophobicContact CE1-CB 4.16Å; Y38-V146 HydrophobicContact CE1-CG1 4.19Å; Y38-V146 HydrophobicContact CE2-CB 4.41Å; Y38-V146 HydrophobicContact CE2-CG2 4.14Å; Y38-V146 PolarHBondContact N-O 3.28Å; Y38-V146 VanDerWaalsContact N-O 3.11Å; Y38-V146 PolarHBondContact O-N 3.12Å; I40-V146 HydrophobicContact CD1-CG2 4.46Å; I40-V146 HydrophobicContact CG1-CG2 3.7Å; L138-V146 HydrophobicContact CD2-CG1 3.75Å; L138-V146 HydrophobicContact CD2-CG2 4.16Å; T140-V146 HydrophobicContact CG2-CG2 3.74Å; V146-F149 HydrophobicContact CG1-CB 3.99Å; V146-F149 HydrophobicContact CG1-CD1 3.68Å; V146-F149 HydrophobicContact CG1-CG 4.18Å
147G90.5Very high86.9Confident32 Ų3282.7 Ų82.733%0.3346%0.462SS..  trans-82.5-56.4174.400000111.5
148D87.9Confident86.9Confident116 Ų11679.1 Ų79.162%0.6245%0.45SS*.  trans-114.1137.8-176.6-68.8-47.4000111.8Q139Q139-D148 PolarHBondContact N-O 3.27Å
149F90Very high87.2Confident30 Ų3075.6 Ų75.613%0.13243%0.431CS..  trans-163.3158179.858.5-84.3000110.6Y38 F129 P135 L138 V146 R160Y38-F149 HydrophobicContact CD1-CD1 4.49Å; Y38-F149 AromaticContact CD1-CE1 3.78Å; Y38-F149 HydrophobicContact CD1-CE1 3.78Å; Y38-F149 AromaticContact CD1-CZ 3.94Å; Y38-F149 HydrophobicContact CD1-CZ 3.94Å; Y38-F149 AromaticContact CE1-CD1 3.82Å; Y38-F149 HydrophobicContact CE1-CD1 3.82Å; Y38-F149 HydrophobicContact CE1-CD2 4.42Å; Y38-F149 AromaticContact CE1-CE1 3.44Å; Y38-F149 HydrophobicContact CE1-CE1 3.44Å; Y38-F149 VanDerWaalsContact CE1-CE1 3.44Å; Y38-F149 HydrophobicContact CE1-CE2 4.08Å; Y38-F149 HydrophobicContact CE1-CG 4.27Å; Y38-F149 AromaticContact CE1-CZ 3.54Å; Y38-F149 HydrophobicContact CE1-CZ 3.54Å; F129-F149 AromaticContact CE1-CE2 3.68Å; F129-F149 HydrophobicContact CE1-CE2 3.68Å; F129-F149 AromaticContact CE1-CZ 3.67Å; F129-F149 HydrophobicContact CE1-CZ 3.67Å; F129-F149 AromaticContact CZ-CE2 3.49Å; F129-F149 HydrophobicContact CZ-CE2 3.49Å; F129-F149 VanDerWaalsContact CZ-CE2 3.49Å; F129-F149 AromaticContact CZ-CZ 3.52Å; F129-F149 HydrophobicContact CZ-CZ 3.52Å; P135-F149 HydrophobicContact CB-CB 4.33Å; P135-F149 HydrophobicContact CB-CD2 3.78Å; P135-F149 HydrophobicContact CB-CE2 4.45Å; P135-F149 HydrophobicContact CB-CG 4.34Å; L138-F149 HydrophobicContact CD2-CB 4.08Å; V146-F149 HydrophobicContact CG1-CB 3.99Å; V146-F149 HydrophobicContact CG1-CD1 3.68Å; V146-F149 HydrophobicContact CG1-CG 4.18Å; F149-R160 VanDerWaalsContact CE2-NH2 3.31Å
150T89.6Confident87.5Confident68 Ų6869.7 Ų69.742%0.41740%0.403SS..EExtended strand (participates in β ladder)trans-107.2134.8177.149.50000109.5P135 S136 N137P135-T150 CarbonylContact C-O 2.97Å; P135-T150 VanDerWaalsContact CA-O 3.27Å; P135-T150 WeakPolarHBondContact CA-O 3.41Å; S136-T150 PolarHBondContact N-O 3.26Å; S136-T150 PolarHBondContact O-N 3.4Å; S136-T150 VanDerWaalsContact O-N 3.1Å; S136-T150 PolarHBondContact O-OG1 3.4Å; S136-T150 PolarHBondContact OG-OG1 2.9Å; N137-T150 PolarHBondContact ND2-OG1 2.72Å
151C90.3Very high87.7Confident31 Ų3167.4 Ų67.421%0.20939%0.387CS..EExtended strand (participates in β ladder)trans-90.7139.9172.1-65.40000109.3C133 S153C133-C151 HydrophobicContact CB-CB 3.97Å; C133-C151 WeakPolarHBondContact CB-SG 3.48Å; C133-C151 CarbonylContact O-C 3.09Å; C133-C151 VanDerWaalsContact O-CA 3.28Å; C133-C151 WeakPolarHBondContact O-CA 3.47Å; C133-C151 WeakPolarHBondContact O-CB 3.24Å; C133-C151 VanDerWaalsContact SG-CA 3.5Å; C133-C151 WeakPolarHBondContact SG-CB 3.41Å; C133-C151 CovalentContact SG-SG 2.04Å; C133-C151 PolarHBondContact SG-SG 3.36Å; C151-S153 VanDerWaalsContact C-N 3.27Å; C151-S153 PolarHBondContact O-N 2.86Å
152S88.1Confident88Confident95 Ų9563.9 Ų63.966%0.66437%0.365SS*.SBendtrans-67-28.9174.6175.50000112.6C133C133-S152 PolarHBondContact O-N 3.5Å
153S78.5Confident88.2Confident35 Ų3559 Ų5925%0.24533%0.332CS..SBendtrans-96.6137.1178.9770000112.6V132 C151 K155 S156V132-S153 PolarHBondContact O-OG 2.99Å; C151-S153 VanDerWaalsContact C-N 3.27Å; C151-S153 PolarHBondContact O-N 2.86Å; S153-K155 PolarHBondContact O-N 3.39Å; S153-K155 VanDerWaalsContact O-N 3.12Å; S153-S156 PolarHBondContact O-N 3.42Å
154D70.7Confident88.5Confident170 Ų17051.8 Ų51.891%0.90930%0.296SS*.G310 helixtrans-60.2-20.7170.8-74.1-28.5000113.5S156D154-S156 PolarHBondContact O-N 3.33Å
155K70.5Confident88.8Confident167 Ų16750.9 Ų50.973%0.72629%0.287SS*.G310 helixtrans-76.530.2177.6-63.2-176.4-179.3174.40113.2S153 N157 A158 P159S153-K155 PolarHBondContact O-N 3.39Å; S153-K155 VanDerWaalsContact O-N 3.12Å; K155-N157 VanDerWaalsContact C-N 3.26Å; K155-N157 PolarHBondContact O-N 2.9Å; K155-A158 PolarHBondContact O-N 2.97Å; K155-P159 WeakPolarHBondContact O-CD 3.2Å
156S73.5Confident88.9Confident35 Ų3547.9 Ų47.925%0.24528%0.277CS..G310 helixtrans-64.8-24.5-173.365.70000114.3S153 D154 R160S153-S156 PolarHBondContact O-N 3.42Å; D154-S156 PolarHBondContact O-N 3.33Å; S156-R160 WeakPolarHBondContact O-CG 3.16Å
157N86.2Confident89.1Confident62 Ų6248.9 Ų48.933%0.33228%0.282SS..G310 helixtrans-76.3-37-178.7-72.3-24.4000113.3K155 R160K155-N157 VanDerWaalsContact C-N 3.26Å; K155-N157 PolarHBondContact O-N 2.9Å; N157-R160 WeakPolarHBondContact O-CB 3.23Å; N157-R160 PolarHBondContact O-N 3.36Å
158A87Confident89.5Confident50 Ų5047.6 Ų47.641%0.41327%0.267SS..G310 helixtrans-64.7-41.3-174.500000113.2R126 K155 R160 K161R126-A158 PolarHBondContact NE-O 3.38Å; K155-A158 PolarHBondContact O-N 2.97Å; A158-R160 PolarHBondContact O-N 3.49Å; A158-K161 PolarHBondContact O-N 2.94Å
159P90.7Very high90Very high4 Ų442 Ų423%0.02624%0.237CC..G310 helixtrans-63.6-13.6171.8-26.137.4000115.1L125 R126 F129 V132 K155L125-P159 CarbonylContact C-O 3.56Å; R126-P159 WeakPolarHBondContact CB-O 3.32Å; R126-P159 WeakPolarHBondContact CG-O 3.43Å; R126-P159 PolarHBondContact N-O 2.87Å; F129-P159 HydrophobicContact CD2-CB 3.47Å; F129-P159 VanDerWaalsContact CD2-CB 3.47Å; F129-P159 HydrophobicContact CE2-CB 4Å; F129-P159 HydrophobicContact CG-CB 4.45Å; V132-P159 HydrophobicContact CB-CG 3.84Å; V132-P159 HydrophobicContact CG1-CG 3.48Å; V132-P159 VanDerWaalsContact CG1-CG 3.48Å; K155-P159 WeakPolarHBondContact O-CD 3.2Å
160R94.5Very high90.4Very high16 Ų1640.7 Ų40.76%0.0623%0.232CC..G310 helixtrans-93.92.2176.9-62.2179.8175.1-88.39.3113.8P33 R36 G123 R124 L125 F129 F149 S156 N157 A158P33-R160 HydrophobicContact CB-CB 4.32Å; P33-R160 HydrophobicContact CG-CB 3.57Å; R36-R160 PolarHBondContact O-NH1 3.46Å; G123-R160 CarbonylContact C-O 3.48Å; G123-R160 WeakPolarHBondContact CA-O 3.29Å; R124-R160 PolarHBondContact N-O 3.46Å; R124-R160 CarbonylContact O-C 3.51Å; L125-R160 HydrophobicContact CD2-CB 4.42Å; L125-R160 HydrophobicContact CD2-CG 3.81Å; F129-R160 HydrophobicContact CE2-CG 3.78Å; F149-R160 VanDerWaalsContact CE2-NH2 3.31Å; S156-R160 WeakPolarHBondContact O-CG 3.16Å; N157-R160 WeakPolarHBondContact O-CB 3.23Å; N157-R160 PolarHBondContact O-N 3.36Å; A158-R160 PolarHBondContact O-N 3.49Å
161K95Very high90.9Very high26 Ų2637.9 Ų37.911%0.11322%0.215CC..  trans-108.567.5179.3-66.2-169.8-177.9-168.40110Q29 V31 P33 K119 R126 A158Q29-K161 PolarHBondContact O-NZ 3.04Å; V31-K161 WeakPolarHBondContact O-CE 3.35Å; V31-K161 PolarHBondContact O-NZ 3.46Å; P33-K161 HydrophobicContact CB-CG 4.09Å; P33-K161 HydrophobicContact CG-CG 4.01Å; K119-K161 HydrophobicContact CB-CB 4.01Å; K119-K161 HydrophobicContact CB-CD 4.41Å; K119-K161 HydrophobicContact CB-CG 4.13Å; K119-K161 HydrophobicContact CD-CB 4.1Å; K119-K161 HydrophobicContact CG-CB 4.17Å; R126-K161 PolarHBondContact NE-O 2.65Å; R126-K161 VanDerWaalsContact NE-O 3.16Å; R126-K161 PolarHBondContact NH2-O 2.76Å; A158-K161 PolarHBondContact O-N 2.94Å
162S96.6Very high91.3Very high0 Ų037.5 Ų37.50%021%0.211CC..  trans-93.6-45-179.1-154.20000114.1R124 L125 P164 H220 D224R124-S162 WeakPolarHBondContact O-CB 3.35Å; R124-S162 PolarHBondContact O-N 3.49Å; L125-S162 WeakPolarHBondContact O-CB 3.29Å; S162-P164 CarbonylContact O-C 3.57Å; S162-H220 PolarHBondContact O-CE1 3.03Å; S162-H220 PolarHBondContact O-ND1 3.27Å; S162-D224 WeakPolarHBondContact CB-OD2 3.28Å; S162-D224 WeakPolarHBondContact O-CB 3.27Å; S162-D224 PolarHBondContact OG-OD2 3Å
163F98Very high91.8Very high53 Ų5333 Ų3323%0.23218%0.179CC..SBendtrans-109.9133.3-173.4-175-88.5000112.2G118 K119 F122 R124 S223 D224G118-F163 CarbonylContact C-O 3.58Å; K119-F163 WeakPolarHBondContact CA-O 3.38Å; K119-F163 PolarHBondContact N-O 3.42Å; F122-F163 HydrophobicContact CB-CD1 4.49Å; F122-F163 AromaticContact CD2-CD1 3.38Å; F122-F163 HydrophobicContact CD2-CD1 3.38Å; F122-F163 AromaticContact CD2-CE1 3.84Å; F122-F163 HydrophobicContact CD2-CE1 3.84Å; F122-F163 AromaticContact CE2-CD1 3.64Å; F122-F163 HydrophobicContact CE2-CD1 3.64Å; F122-F163 AromaticContact CE2-CE1 3.56Å; F122-F163 HydrophobicContact CE2-CE1 3.56Å; F122-F163 AromaticContact CG-CD1 3.94Å; F122-F163 HydrophobicContact CG-CD1 3.94Å; F122-F163 HydrophobicContact CZ-CD1 4.38Å; F122-F163 HydrophobicContact CZ-CE1 4.07Å; R124-F163 HydrophobicContact CB-CB 3.92Å; F163-S223 WeakPolarHBondContact CE2-O 3.32Å; F163-D224 VanDerWaalsContact CB-OD1 3.3Å; F163-D224 WeakPolarHBondContact CB-OD1 3.47Å; F163-D224 HydrophobicContact CD2-CB 4.36Å; F163-D224 VanDerWaalsContact CD2-OD1 3.29Å; F163-D224 WeakPolarHBondContact CD2-OD1 3.29Å
164P98.5Very high92.7Very high5 Ų531.7 Ų31.73%0.03217%0.17CC..SBendcis-79168.9-13.531.8-33.5000112.6T115 K119 S162 G166 L231T115-P164 HydrophobicContact CG2-CG 3.92Å; K119-P164 WeakPolarHBondContact CE-O 3.29Å; S162-P164 CarbonylContact O-C 3.57Å; P164-G166 PolarHBondContact O-N 3.49Å; P164-L231 HydrophobicContact CG-CD1 4Å
165S98.5Very high94.1Very high0 Ų023.7 Ų23.70%013%0.128CC..  trans-70.4110.4176.1172.90000111.4H167 T168 S169 D224S165-H167 VanDerWaalsContact C-N 3.33Å; S165-H167 PolarHBondContact O-N 3.39Å; S165-T168 WeakPolarHBondContact CB-OG1 3.29Å; S165-T168 PolarHBondContact O-N 2.93Å; S165-T168 WeakPolarHBondContact OG-CB 3.47Å; S165-T168 PolarHBondContact OG-N 3.13Å; S165-T168 PolarHBondContact OG-OG1 3.28Å; S165-S169 PolarHBondContact O-N 3.03Å; S165-S169 PolarHBondContact O-OG 3.37Å; S165-D224 VanDerWaalsContact CB-O 3.26Å; S165-D224 WeakPolarHBondContact CB-O 3.47Å; S165-D224 PolarHBondContact N-O 3.49Å
166G98.1Very high95.4Very high10 Ų1017 Ų1710%0.10310%0.099CC..Hα-helixtrans-67.8-28.2178.200000114.9P164 S169 I170P164-G166 PolarHBondContact O-N 3.49Å; G166-S169 WeakPolarHBondContact CA-OG 3.38Å; G166-S169 PolarHBondContact O-OG 2.91Å; G166-I170 WeakPolarHBondContact O-CG1 3.47Å; G166-I170 PolarHBondContact O-N 3.04Å
167H98.4Very high96.5Very high22 Ų2215.3 Ų15.310%0.1029%0.088CC..Hα-helixtrans-70.4-43174.5-80.770.4000111.1S56 L59 S165 A171 V210 R214S56-H167 PolarHBondContact N-NE2 3.5Å; S56-H167 PolarHBondContact OG-CE1 2.86Å; L59-H167 HydrophobicContact CD2-CB 3.96Å; L59-H167 VanDerWaalsContact CD2-CD2 3.43Å; L59-H167 WeakPolarHBondContact CD2-CD2 3.42Å; S165-H167 VanDerWaalsContact C-N 3.33Å; S165-H167 PolarHBondContact O-N 3.39Å; H167-A171 VanDerWaalsContact O-CB 3.25Å; H167-A171 WeakPolarHBondContact O-CB 3.2Å; H167-A171 PolarHBondContact O-N 2.9Å; H167-V210 HydrophobicContact CB-CG1 3.8Å; H167-V210 WeakPolarHBondContact O-CG1 3.34Å; H167-R214 HydrophobicContact CB-CG 3.98Å; H167-R214 PolarHBondContact CD2-NH1 3.42Å; H167-R214 PolarHBondContact CE1-NH1 3.41Å; H167-R214 PolarHBondContact ND1-NH1 3.44Å; H167-R214 PolarHBondContact NE2-NH1 2.87Å
168T98.8Very high97.1Very high4 Ų412.4 Ų12.43%0.0257%0.072CC..Hα-helixtrans-69.3-41.1-179.8-48.20000111.1S165 I170 A171 I172 V225S165-T168 WeakPolarHBondContact CB-OG1 3.29Å; S165-T168 PolarHBondContact O-N 2.93Å; S165-T168 WeakPolarHBondContact OG-CB 3.47Å; S165-T168 PolarHBondContact OG-N 3.13Å; S165-T168 PolarHBondContact OG-OG1 3.28Å; T168-I170 PolarHBondContact O-N 3.22Å; T168-A171 PolarHBondContact O-N 3.44Å; T168-I172 HydrophobicContact CG2-CG1 3.91Å; T168-I172 WeakPolarHBondContact O-CB 3.49Å; T168-I172 VanDerWaalsContact O-CG1 3.3Å; T168-I172 WeakPolarHBondContact O-CG1 3.36Å; T168-I172 PolarHBondContact O-N 3.41Å; T168-V225 HydrophobicContact CG2-CG1 3.82Å; T168-V225 WeakPolarHBondContact CG2-O 3.41Å
169S98.8Very high97.5Very high0 Ų010.8 Ų10.80%06%0.057CC..Hα-helixtrans-60.7-46.5179.459.70000112.5T115 S165 G166 Y173 G228 G232T115-S169 WeakPolarHBondContact OG1-CB 3.21Å; T115-S169 PolarHBondContact OG1-OG 3.49Å; S165-S169 PolarHBondContact O-N 3.03Å; S165-S169 PolarHBondContact O-OG 3.37Å; G166-S169 WeakPolarHBondContact CA-OG 3.38Å; G166-S169 PolarHBondContact O-OG 2.91Å; S169-Y173 WeakPolarHBondContact O-CB 3.36Å; S169-Y173 PolarHBondContact O-N 2.85Å; S169-G228 WeakPolarHBondContact CA-O 3.22Å; S169-G228 VanDerWaalsContact CB-O 3.27Å; S169-G228 WeakPolarHBondContact CB-O 3.23Å; S169-G232 WeakPolarHBondContact O-CA 3.42Å
170I98.6Very high97.7Very high2 Ų212.1 Ų12.11%0.016%0.064CC..Hα-helixtrans-67-42177.5-65.2-65.8000112.3L59 Y108 T111 I112 G166 T168 T174L59-I170 HydrophobicContact CD1-CG2 4.29Å; L59-I170 HydrophobicContact CD2-CB 4.26Å; L59-I170 HydrophobicContact CD2-CG2 4.34Å; L59-I170 HydrophobicContact CG-CG2 4.27Å; Y108-I170 HydrophobicContact CD1-CD1 4.39Å; Y108-I170 HydrophobicContact CD2-CG2 4.34Å; Y108-I170 HydrophobicContact CE1-CD1 4.29Å; Y108-I170 HydrophobicContact CE1-CG2 4.43Å; Y108-I170 HydrophobicContact CE2-CD1 4.49Å; Y108-I170 HydrophobicContact CE2-CG2 3.47Å; Y108-I170 VanDerWaalsContact CE2-CG2 3.47Å; T111-I170 HydrophobicContact CG2-CD1 3.66Å; T111-I170 HydrophobicContact CG2-CG1 4.32Å; I112-I170 HydrophobicContact CD1-CD1 4.27Å; I112-I170 HydrophobicContact CG1-CD1 3.4Å; I112-I170 VanDerWaalsContact CG1-CD1 3.4Å; I112-I170 HydrophobicContact CG1-CG1 4.18Å; G166-I170 WeakPolarHBondContact O-CG1 3.47Å; G166-I170 PolarHBondContact O-N 3.04Å; T168-I170 PolarHBondContact O-N 3.22Å; I170-T174 VanDerWaalsContact O-CB 3.31Å; I170-T174 WeakPolarHBondContact O-CB 3.44Å; I170-T174 PolarHBondContact O-N 3.31Å; I170-T174 PolarHBondContact O-OG1 3.38Å
171A98.8Very high97.7Very high9 Ų911.3 Ų11.37%0.0746%0.061CC..Hα-helixtrans-66.5-42.7-179.700000112.1L59 H167 T168 T174 A175 V210L59-A171 HydrophobicContact CD1-CB 4.12Å; H167-A171 VanDerWaalsContact O-CB 3.25Å; H167-A171 WeakPolarHBondContact O-CB 3.2Å; H167-A171 PolarHBondContact O-N 2.9Å; T168-A171 PolarHBondContact O-N 3.44Å; A171-T174 PolarHBondContact O-N 3.03Å; A171-A175 WeakPolarHBondContact O-CB 3.19Å; A171-A175 PolarHBondContact O-N 2.89Å; A171-V210 HydrophobicContact CB-CB 3.67Å; A171-V210 HydrophobicContact CB-CG1 3.75Å; A171-V210 HydrophobicContact CB-CG2 3.85Å
172I98.8Very high97.6Very high23 Ų2310.2 Ų10.212%0.1186%0.056CC..Hα-helixtrans-72.3-40.5177.2-63.2-64.7000111.2T168 T174 A175 I176 G229 F233T168-I172 HydrophobicContact CG2-CG1 3.91Å; T168-I172 WeakPolarHBondContact O-CB 3.49Å; T168-I172 VanDerWaalsContact O-CG1 3.3Å; T168-I172 WeakPolarHBondContact O-CG1 3.36Å; T168-I172 PolarHBondContact O-N 3.41Å; I172-T174 VanDerWaalsContact C-N 3.32Å; I172-T174 PolarHBondContact O-N 2.92Å; I172-A175 PolarHBondContact O-N 2.94Å; I172-I176 HydrophobicContact CG2-CG1 3.93Å; I172-I176 WeakPolarHBondContact O-CB 3.4Å; I172-I176 VanDerWaalsContact O-CG1 3.23Å; I172-I176 WeakPolarHBondContact O-CG1 3.25Å; I172-I176 PolarHBondContact O-N 3.05Å; I172-G229 VanDerWaalsContact CG2-O 3.32Å; I172-G229 WeakPolarHBondContact CG2-O 3.32Å; I172-F233 HydrophobicContact CG2-CB 4.22Å
173Y98.8Very high97.4Very high0 Ų014.1 Ų14.10%08%0.075CC..Hα-helixtrans-52.9-52.8170.9167.4-98.1000110.7A104 G107 Y108 T111 S169 A175 I176 F177 G232 V235 A236 T239A104-Y173 WeakPolarHBondContact CA-OH 3.45Å; A104-Y173 PolarHBondContact O-OH 3.23Å; G107-Y173 WeakPolarHBondContact CA-OH 3.29Å; Y108-Y173 VanDerWaalsContact CA-CE1 3.49Å; Y108-Y173 AromaticContact CD2-CD1 3.95Å; Y108-Y173 HydrophobicContact CD2-CD1 3.95Å; Y108-Y173 AromaticContact CD2-CE1 3.93Å; Y108-Y173 HydrophobicContact CD2-CE1 3.93Å; Y108-Y173 HydrophobicContact CG-CD1 4.5Å; Y108-Y173 HydrophobicContact CG-CE1 4.28Å; Y108-Y173 VanDerWaalsContact N-CZ 3.32Å; Y108-Y173 PolarHBondContact N-OH 3.37Å; T111-Y173 WeakPolarHBondContact OG1-CD2 3.13Å; S169-Y173 WeakPolarHBondContact O-CB 3.36Å; S169-Y173 PolarHBondContact O-N 2.85Å; Y173-A175 VanDerWaalsContact C-N 3.34Å; Y173-A175 PolarHBondContact O-N 3.32Å; Y173-I176 PolarHBondContact O-N 3.43Å; Y173-F177 HydrophobicContact CE2-CB 4.38Å; Y173-F177 WeakPolarHBondContact O-CB 3.41Å; Y173-F177 PolarHBondContact O-N 3.34Å; Y173-G232 WeakPolarHBondContact CA-O 3.39Å; Y173-V235 HydrophobicContact CD2-CB 4.25Å; Y173-V235 HydrophobicContact CD2-CG1 3.94Å; Y173-V235 HydrophobicContact CE2-CG1 4.02Å; Y173-A236 HydrophobicContact CD2-CB 3.82Å; Y173-A236 HydrophobicContact CE2-CB 4.14Å; Y173-T239 HydrophobicContact CE2-CG2 4.21Å
174T98.7Very high97Very high7 Ų713.4 Ų13.44%0.0437%0.073CC..Hα-helixtrans-58.7-47.3-179.9-58.50000111S63 I67 I170 A171 I172 L178S63-T174 WeakPolarHBondContact CB-OG1 3.25Å; I67-T174 HydrophobicContact CD1-CG2 4.07Å; I67-T174 HydrophobicContact CG1-CG2 3.85Å; I170-T174 VanDerWaalsContact O-CB 3.31Å; I170-T174 WeakPolarHBondContact O-CB 3.44Å; I170-T174 PolarHBondContact O-N 3.31Å; I170-T174 PolarHBondContact O-OG1 3.38Å; A171-T174 PolarHBondContact O-N 3.03Å; I172-T174 VanDerWaalsContact C-N 3.32Å; I172-T174 PolarHBondContact O-N 2.92Å; T174-L178 HydrophobicContact CG2-CD1 3.91Å; T174-L178 HydrophobicContact CG2-CG 4.49Å; T174-L178 WeakPolarHBondContact O-CB 3.37Å; T174-L178 VanDerWaalsContact O-CG 3.24Å; T174-L178 WeakPolarHBondContact O-CG 3.41Å; T174-L178 PolarHBondContact O-N 3.02Å
175A98.6Very high96.5Very high3 Ų314.7 Ų14.73%0.0258%0.077CC..Hα-helixtrans-60.6-51-179.400000112A171 I172 Y173 L178 C179 Y203A171-A175 WeakPolarHBondContact O-CB 3.19Å; A171-A175 PolarHBondContact O-N 2.89Å; I172-A175 PolarHBondContact O-N 2.94Å; Y173-A175 VanDerWaalsContact C-N 3.34Å; Y173-A175 PolarHBondContact O-N 3.32Å; A175-L178 PolarHBondContact O-N 3.38Å; A175-C179 WeakPolarHBondContact O-CB 3.45Å; A175-C179 PolarHBondContact O-N 2.9Å; A175-C179 PolarHBondContact O-SG 3.43Å; A175-Y203 WeakPolarHBondContact CB-O 3.46Å
176I98.3Very high95.9Very high26 Ų2615.7 Ų15.713%0.1338%0.082CC..Hα-helixtrans-69.2-42-176.6-60.7-64.7000110.9I172 Y173 L178 C179 L180 F233 A236I172-I176 HydrophobicContact CG2-CG1 3.93Å; I172-I176 WeakPolarHBondContact O-CB 3.4Å; I172-I176 VanDerWaalsContact O-CG1 3.23Å; I172-I176 WeakPolarHBondContact O-CG1 3.25Å; I172-I176 PolarHBondContact O-N 3.05Å; Y173-I176 PolarHBondContact O-N 3.43Å; I176-L178 VanDerWaalsContact C-N 3.33Å; I176-L178 PolarHBondContact O-N 2.88Å; I176-C179 WeakPolarHBondContact O-CB 3.27Å; I176-C179 PolarHBondContact O-N 2.99Å; I176-L180 HydrophobicContact CG2-CD1 4.01Å; I176-L180 HydrophobicContact CG2-CG 4.32Å; I176-L180 VanDerWaalsContact O-CG 3.27Å; I176-L180 WeakPolarHBondContact O-CG 3.42Å; I176-L180 PolarHBondContact O-N 3.48Å; I176-F233 HydrophobicContact CD1-CD2 3.91Å; I176-F233 HydrophobicContact CD1-CE2 4.36Å; I176-F233 HydrophobicContact CG1-CD2 3.92Å; I176-F233 HydrophobicContact CG2-CD2 4.14Å; I176-F233 HydrophobicContact CG2-CE2 4.49Å; I176-A236 HydrophobicContact CB-CB 3.75Å; I176-A236 HydrophobicContact CG2-CB 3.6Å
177F98Very high95.1Very high0 Ų017.8 Ų17.80%010%0.095CC..Hα-helixtrans-56.5-48.1175179.3-89.3000111.3I71 V103 A104 Y173 C179 L180 Y181 A236 T239 L243I71-F177 HydrophobicContact CD1-CE1 4.18Å; V103-F177 HydrophobicContact CG1-CE2 4.14Å; A104-F177 HydrophobicContact CB-CD1 4.21Å; A104-F177 HydrophobicContact CB-CE1 3.52Å; A104-F177 HydrophobicContact CB-CE2 4.15Å; A104-F177 HydrophobicContact CB-CZ 3.48Å; A104-F177 VanDerWaalsContact CB-CZ 3.48Å; Y173-F177 HydrophobicContact CE2-CB 4.38Å; Y173-F177 WeakPolarHBondContact O-CB 3.41Å; Y173-F177 PolarHBondContact O-N 3.34Å; F177-C179 VanDerWaalsContact C-N 3.34Å; F177-C179 PolarHBondContact O-N 3.14Å; F177-L180 PolarHBondContact O-N 2.95Å; F177-Y181 WeakPolarHBondContact O-CB 3.25Å; F177-Y181 PolarHBondContact O-N 3.43Å; F177-A236 HydrophobicContact CB-CB 4.37Å; F177-T239 WeakPolarHBondContact CD2-OG1 3.46Å; F177-L243 HydrophobicContact CE2-CD2 4.14Å; F177-L243 HydrophobicContact CZ-CD2 4.02Å
178L97.5Very high93.9Very high1 Ų123.9 Ų23.91%0.00512%0.117CC..Hα-helixtrans-66.4-36178.1-68.7175.1000112.3L66 I67 T70 T174 A175 I176 Y181 I182 Y203L66-L178 HydrophobicContact CB-CD1 4.05Å; I67-L178 HydrophobicContact CG1-CD2 4.29Å; I67-L178 HydrophobicContact CG1-CG 4.44Å; T70-L178 HydrophobicContact CG2-CD2 3.82Å; T174-L178 HydrophobicContact CG2-CD1 3.91Å; T174-L178 HydrophobicContact CG2-CG 4.49Å; T174-L178 WeakPolarHBondContact O-CB 3.37Å; T174-L178 VanDerWaalsContact O-CG 3.24Å; T174-L178 WeakPolarHBondContact O-CG 3.41Å; T174-L178 PolarHBondContact O-N 3.02Å; A175-L178 PolarHBondContact O-N 3.38Å; I176-L178 VanDerWaalsContact C-N 3.33Å; I176-L178 PolarHBondContact O-N 2.88Å; L178-Y181 PolarHBondContact O-N 3.2Å; L178-I182 WeakPolarHBondContact O-CB 3.46Å; L178-I182 WeakPolarHBondContact O-CG1 3.44Å; L178-I182 PolarHBondContact O-N 2.83Å; L178-Y203 HydrophobicContact CB-CD2 3.5Å; L178-Y203 HydrophobicContact CB-CE2 3.58Å; L178-Y203 HydrophobicContact CB-CG 4.28Å; L178-Y203 HydrophobicContact CD1-CD1 4.3Å; L178-Y203 HydrophobicContact CD1-CD2 4.13Å; L178-Y203 HydrophobicContact CD1-CE1 4.2Å; L178-Y203 HydrophobicContact CD1-CE2 3.97Å; L178-Y203 HydrophobicContact CD1-CG 4.3Å; L178-Y203 HydrophobicContact CG-CD2 4.47Å; L178-Y203 HydrophobicContact CG-CE2 4.33Å
179C96.7Very high92.7Very high15 Ų1528 Ų2810%0.10114%0.135CC..Hα-helixtrans-61.2-44.9173.5-720000112.3A175 I176 F177 Q183 Q200A175-C179 WeakPolarHBondContact O-CB 3.45Å; A175-C179 PolarHBondContact O-N 2.9Å; A175-C179 PolarHBondContact O-SG 3.43Å; I176-C179 WeakPolarHBondContact O-CB 3.27Å; I176-C179 PolarHBondContact O-N 2.99Å; F177-C179 VanDerWaalsContact C-N 3.34Å; F177-C179 PolarHBondContact O-N 3.14Å; C179-Q183 WeakPolarHBondContact O-CB 3.35Å; C179-Q183 PolarHBondContact O-N 3.49Å; C179-Q200 HydrophobicContact CB-CB 4.46Å; C179-Q200 HydrophobicContact CB-CG 3.96Å; C179-Q200 PolarHBondContact O-NE2 2.91Å; C179-Q200 VanDerWaalsContact SG-CA 3.53Å
180L94.5Very high91.6Very high32 Ų3239 Ų3917%0.16818%0.176CC..Hα-helixtrans-64.9-46177-67.6169.7000110.9I176 F177 I182 Q183 L184 L237 L240I176-L180 HydrophobicContact CG2-CD1 4.01Å; I176-L180 HydrophobicContact CG2-CG 4.32Å; I176-L180 VanDerWaalsContact O-CG 3.27Å; I176-L180 WeakPolarHBondContact O-CG 3.42Å; I176-L180 PolarHBondContact O-N 3.48Å; F177-L180 PolarHBondContact O-N 2.95Å; L180-I182 PolarHBondContact O-N 3.47Å; L180-Q183 PolarHBondContact O-N 3.42Å; L180-L184 WeakPolarHBondContact O-CB 3.3Å; L180-L184 WeakPolarHBondContact O-CG 3.37Å; L180-L184 PolarHBondContact O-N 3.09Å; L180-L237 HydrophobicContact CD1-CD2 4.22Å; L180-L237 HydrophobicContact CD2-CD2 4.43Å; L180-L240 HydrophobicContact CB-CD1 4.22Å; L180-L240 HydrophobicContact CD1-CD1 4.32Å; L180-L240 HydrophobicContact CD2-CD1 4.16Å; L180-L240 HydrophobicContact CG-CD1 4.46Å
181Y93.7Very high90.6Very high0 Ų040.8 Ų40.80%019%0.185CC..Hα-helixtrans-56.1-51.5175.1172-95.3000111.4T70 I71 E75 F177 L178 Q183 L184 R185 Y245T70-Y181 HydrophobicContact CG2-CD1 4.07Å; T70-Y181 HydrophobicContact CG2-CE1 4.21Å; I71-Y181 HydrophobicContact CG1-CD2 4.31Å; I71-Y181 HydrophobicContact CG1-CE1 4.4Å; I71-Y181 HydrophobicContact CG1-CE2 4.15Å; I71-Y181 PolarHBondContact O-OH 2.92Å; E75-Y181 PolarHBondContact N-OH 3.45Å; E75-Y181 PolarHBondContact OE1-OH 2.81Å; F177-Y181 WeakPolarHBondContact O-CB 3.25Å; F177-Y181 PolarHBondContact O-N 3.43Å; L178-Y181 PolarHBondContact O-N 3.2Å; Y181-Q183 VanDerWaalsContact C-N 3.32Å; Y181-Q183 PolarHBondContact O-N 3.29Å; Y181-L184 PolarHBondContact O-N 2.94Å; Y181-R185 HydrophobicContact CE2-CB 4.29Å; Y181-R185 HydrophobicContact CE2-CG 4.28Å; Y181-R185 WeakPolarHBondContact O-CB 3.47Å; Y181-R185 PolarHBondContact O-N 3.45Å; Y181-Y245 HydrophobicContact CD2-CE2 4.3Å; Y181-Y245 HydrophobicContact CE2-CE2 4.05Å
182I93.4Very high90Very high2 Ų249.1 Ų49.11%0.0122%0.216CC..Hα-helixtrans-58.4-45.1177-76.7179.7000111T70 L178 L180 F186 R196 F199 Q200 Y203T70-I182 HydrophobicContact CG2-CD1 4.3Å; T70-I182 HydrophobicContact CG2-CG1 4.26Å; L178-I182 WeakPolarHBondContact O-CB 3.46Å; L178-I182 WeakPolarHBondContact O-CG1 3.44Å; L178-I182 PolarHBondContact O-N 2.83Å; L180-I182 PolarHBondContact O-N 3.47Å; I182-F186 HydrophobicContact CB-CD2 4.37Å; I182-F186 HydrophobicContact CG1-CD2 4.24Å; I182-F186 HydrophobicContact CG1-CE2 4.1Å; I182-F186 HydrophobicContact CG2-CD2 3.94Å; I182-F186 VanDerWaalsContact O-CB 3.28Å; I182-F186 WeakPolarHBondContact O-CB 3.41Å; I182-F186 PolarHBondContact O-N 3.44Å; I182-R196 HydrophobicContact CG2-CB 3.87Å; I182-R196 HydrophobicContact CG2-CG 3.97Å; I182-F199 HydrophobicContact CD1-CB 3.63Å; I182-F199 HydrophobicContact CD1-CG 4.39Å; I182-Q200 HydrophobicContact CG2-CG 4.31Å; I182-Y203 HydrophobicContact CD1-CD2 4.29Å; I182-Y203 HydrophobicContact CD1-CE2 3.57Å
183Q91.9Very high89.5Confident83 Ų8351.9 Ų51.939%0.38824%0.236SC..Hα-helixtrans-63.4-50.5-177.6-174.559.822.400111.3C179 L180 Y181 S187C179-Q183 WeakPolarHBondContact O-CB 3.35Å; C179-Q183 PolarHBondContact O-N 3.49Å; L180-Q183 PolarHBondContact O-N 3.42Å; Y181-Q183 VanDerWaalsContact C-N 3.32Å; Y181-Q183 PolarHBondContact O-N 3.29Å; Q183-S187 WeakPolarHBondContact O-CB 3.22Å; Q183-S187 PolarHBondContact O-N 2.99Å
184L88.8Confident89.1Confident38 Ų3854.4 Ų54.420%0.19926%0.262CS..Hα-helixtrans-68.5-44.2-178.3-66.4179000111.8L180 Y181 L240 L243 V246 I249L180-L184 WeakPolarHBondContact O-CB 3.3Å; L180-L184 WeakPolarHBondContact O-CG 3.37Å; L180-L184 PolarHBondContact O-N 3.09Å; Y181-L184 PolarHBondContact O-N 2.94Å; L184-L240 HydrophobicContact CD1-CD1 3.36Å; L184-L240 HydrophobicContact CG-CD1 4.22Å; L184-L243 HydrophobicContact CD1-CD1 3.74Å; L184-V246 HydrophobicContact CD1-CG2 3.93Å; L184-I249 HydrophobicContact CD2-CD1 3.58Å
185R88.1Confident88.7Confident31 Ų3157.2 Ų57.212%0.11728%0.279CS..Hα-helixtrans-76-52.4-172.7-162.861.1170.51560.5111.3E75 V78 Y181 F189E75-R185 WeakPolarHBondContact OE1-CD 3.21Å; E75-R185 IonicContact OE1-CZ 3.77Å; E75-R185 IonicContact OE1-NE 3.5Å; E75-R185 PolarHBondContact OE1-NE 2.65Å; E75-R185 IonicContact OE1-NH2 3.48Å; E75-R185 IonicContact OE2-CZ 2.79Å; E75-R185 VanDerWaalsContact OE2-CZ 3.31Å; E75-R185 IonicContact OE2-NE 3.64Å; E75-R185 PolarHBondContact OE2-NE 3.26Å; E75-R185 IonicContact OE2-NH2 3.23Å; E75-R185 PolarHBondContact OE2-NH2 3.06Å; V78-R185 HydrophobicContact CG2-CG 4.17Å; Y181-R185 HydrophobicContact CE2-CB 4.29Å; Y181-R185 HydrophobicContact CE2-CG 4.28Å; Y181-R185 WeakPolarHBondContact O-CB 3.47Å; Y181-R185 PolarHBondContact O-N 3.45Å; R185-F189 WeakPolarHBondContact O-CD2 3.47Å
186F87.3Confident88.4Confident21 Ų2158.4 Ų58.49%0.09228%0.283CS..Hα-helixtrans-83.2-19.5-171.6-64.8-18.2000114.5G74 V78 I182 R188 F189 I191 R196G74-F186 VanDerWaalsContact CA-CZ 3.5Å; V78-F186 HydrophobicContact CG2-CD1 4.18Å; V78-F186 HydrophobicContact CG2-CE1 4.2Å; I182-F186 HydrophobicContact CB-CD2 4.37Å; I182-F186 HydrophobicContact CG1-CD2 4.24Å; I182-F186 HydrophobicContact CG1-CE2 4.1Å; I182-F186 HydrophobicContact CG2-CD2 3.94Å; I182-F186 VanDerWaalsContact O-CB 3.28Å; I182-F186 WeakPolarHBondContact O-CB 3.41Å; I182-F186 PolarHBondContact O-N 3.44Å; F186-R188 PolarHBondContact O-N 2.95Å; F186-F189 PolarHBondContact O-N 3.39Å; F186-I191 HydrophobicContact CB-CB 4.1Å; F186-I191 HydrophobicContact CB-CD1 3.64Å; F186-I191 HydrophobicContact CB-CG1 4.33Å; F186-I191 HydrophobicContact CD1-CD1 3.5Å; F186-I191 VanDerWaalsContact CD1-CD1 3.5Å; F186-I191 HydrophobicContact CD2-CD1 3.91Å; F186-I191 HydrophobicContact CE1-CD1 4.07Å; F186-I191 HydrophobicContact CE2-CD1 4.45Å; F186-I191 HydrophobicContact CG-CD1 3.41Å; F186-I191 VanDerWaalsContact CG-CD1 3.41Å; F186-I191 PolarHBondContact O-N 3.21Å; F186-R196 HydrophobicContact CB-CG 4.06Å; F186-R196 HydrophobicContact CD2-CG 4.5Å
187S81Confident88.2Confident55 Ų5560.6 Ų60.639%0.38530%0.298SS..Hα-helixtrans-61.3-35.2173.2-163.20000112Q183 F189 R196Q183-S187 WeakPolarHBondContact O-CB 3.22Å; Q183-S187 PolarHBondContact O-N 2.99Å; S187-F189 VanDerWaalsContact C-N 3.32Å; S187-F189 PolarHBondContact O-N 3.44Å; S187-R196 PolarHBondContact OG-NH1 3.48Å; S187-R196 VanDerWaalsContact OG-NH1 3.1Å
188R73.2Confident88.1Confident150 Ų15064 Ų6457%0.56632%0.32SS*.Hα-helixtrans-66.9-30.9178.3-170.2174.7-177106.4-1.7113.3F186F186-R188 PolarHBondContact O-N 2.95Å
189F74.1Confident88Confident91 Ų9168.4 Ų68.440%0.39934%0.339SS..THydrogen-bonded Turntrans-97.715.6-175.5-64.6-84000113.7V78 R185 F186 S187 I191V78-F189 HydrophobicContact CB-CD2 4.24Å; V78-F189 HydrophobicContact CB-CE2 4.04Å; V78-F189 HydrophobicContact CB-CZ 4.25Å; V78-F189 HydrophobicContact CG1-CD1 4.36Å; V78-F189 HydrophobicContact CG1-CD2 3.93Å; V78-F189 HydrophobicContact CG1-CE1 3.74Å; V78-F189 HydrophobicContact CG1-CE2 3.26Å; V78-F189 HydrophobicContact CG1-CG 4.46Å; V78-F189 HydrophobicContact CG1-CZ 3.17Å; V78-F189 HydrophobicContact CG2-CD2 3.42Å; V78-F189 VanDerWaalsContact CG2-CD2 3.42Å; V78-F189 HydrophobicContact CG2-CE2 3.62Å; V78-F189 HydrophobicContact CG2-CG 3.94Å; V78-F189 HydrophobicContact CG2-CZ 4.28Å; R185-F189 WeakPolarHBondContact O-CD2 3.47Å; F186-F189 PolarHBondContact O-N 3.39Å; S187-F189 VanDerWaalsContact C-N 3.32Å; S187-F189 PolarHBondContact O-N 3.44Å; F189-I191 PolarHBondContact O-N 3.49Å; F189-I191 VanDerWaalsContact O-N 3.1Å
190R74.6Confident88.1Confident231 Ų23169.2 Ų69.287%0.87234%0.342SS*.THydrogen-bonded Turntrans53.629.4178.1-60.6-172175115-1.8113.9Y192R190-Y192 PolarHBondContact O-N 3.27Å
191I78.9Confident88.2Confident39 Ų3971.9 Ų71.920%0.236%0.359CS..  trans-62.1135.6169.2-69.4168.6000108.1I77 F186 F189 V195 R196I77-I191 HydrophobicContact CG2-CD1 4.35Å; F186-I191 HydrophobicContact CB-CB 4.1Å; F186-I191 HydrophobicContact CB-CD1 3.64Å; F186-I191 HydrophobicContact CB-CG1 4.33Å; F186-I191 HydrophobicContact CD1-CD1 3.5Å; F186-I191 VanDerWaalsContact CD1-CD1 3.5Å; F186-I191 HydrophobicContact CD2-CD1 3.91Å; F186-I191 HydrophobicContact CE1-CD1 4.07Å; F186-I191 HydrophobicContact CE2-CD1 4.45Å; F186-I191 HydrophobicContact CG-CD1 3.41Å; F186-I191 VanDerWaalsContact CG-CD1 3.41Å; F186-I191 PolarHBondContact O-N 3.21Å; F189-I191 PolarHBondContact O-N 3.49Å; F189-I191 VanDerWaalsContact O-N 3.1Å; I191-V195 HydrophobicContact CG2-CB 4.21Å; I191-V195 HydrophobicContact CG2-CG1 4.31Å; I191-R196 HydrophobicContact CG2-CG 4.11Å; I191-R196 PolarHBondContact O-NE 3.47Å; I191-R196 VanDerWaalsContact O-NE 3.14Å; I191-R196 PolarHBondContact O-NH2 3.27Å
192Y85Confident88.4Confident183 Ų18375.5 Ų75.572%0.71838%0.378SS*.  trans-49.7131-175.1-63.8-69.7000111.3R190 G194 V195 R196R190-Y192 PolarHBondContact O-N 3.27Å; Y192-G194 PolarHBondContact O-N 3.12Å; Y192-V195 PolarHBondContact O-N 2.91Å; Y192-V195 VanDerWaalsContact O-N 3.09Å; Y192-R196 PolarHBondContact O-N 3.46Å
193P87.7Confident88.7Confident82 Ų8276.4 Ų76.453%0.53238%0.381SS..Hα-helixtrans-49.7-43.4178.6-27.233000113.1V195 R196 T197P193-V195 VanDerWaalsContact C-N 3.33Å; P193-V195 PolarHBondContact O-N 2.92Å; P193-R196 PolarHBondContact O-N 2.84Å; P193-R196 VanDerWaalsContact O-N 3.17Å; P193-T197 PolarHBondContact O-N 3.32Å; P193-T197 PolarHBondContact O-OG1 3.05Å; P193-T197 VanDerWaalsContact O-OG1 3.05Å
194G90.2Very high89Confident53 Ų5375.9 Ų75.955%0.54638%0.38SS..Hα-helixtrans-60.2-36.5-179.700000114.4Y192 C198Y192-G194 PolarHBondContact O-N 3.12Å; G194-C198 VanDerWaalsContact O-CB 3.29Å; G194-C198 WeakPolarHBondContact O-CB 3.36Å; G194-C198 PolarHBondContact O-N 2.88Å
195V90.7Very high89.5Confident66 Ų6676.2 Ų76.240%0.439%0.389SS..Hα-helixtrans-66.8-45.5177177.40000110.1I191 Y192 P193 C198 F199I191-V195 HydrophobicContact CG2-CB 4.21Å; I191-V195 HydrophobicContact CG2-CG1 4.31Å; Y192-V195 PolarHBondContact O-N 2.91Å; Y192-V195 VanDerWaalsContact O-N 3.09Å; P193-V195 VanDerWaalsContact C-N 3.33Å; P193-V195 PolarHBondContact O-N 2.92Å; V195-C198 PolarHBondContact O-N 3.31Å; V195-F199 HydrophobicContact CG1-CD2 4Å; V195-F199 HydrophobicContact CG1-CE2 3.83Å; V195-F199 VanDerWaalsContact O-CD2 3.28Å; V195-F199 WeakPolarHBondContact O-CD2 3.49Å; V195-F199 PolarHBondContact O-N 3.41Å
196R92.1Very high90Very high27 Ų2778.6 Ų78.610%0.10240%0.403CS..Hα-helixtrans-60-49.8177.2-65.6-178.1-77.1161.7-8.1111.1I182 F186 S187 I191 Y192 P193 C198 F199 Q200I182-R196 HydrophobicContact CG2-CB 3.87Å; I182-R196 HydrophobicContact CG2-CG 3.97Å; F186-R196 HydrophobicContact CB-CG 4.06Å; F186-R196 HydrophobicContact CD2-CG 4.5Å; S187-R196 PolarHBondContact OG-NH1 3.48Å; S187-R196 VanDerWaalsContact OG-NH1 3.1Å; I191-R196 HydrophobicContact CG2-CG 4.11Å; I191-R196 PolarHBondContact O-NE 3.47Å; I191-R196 VanDerWaalsContact O-NE 3.14Å; I191-R196 PolarHBondContact O-NH2 3.27Å; Y192-R196 PolarHBondContact O-N 3.46Å; P193-R196 PolarHBondContact O-N 2.84Å; P193-R196 VanDerWaalsContact O-N 3.17Å; R196-C198 VanDerWaalsContact C-N 3.3Å; R196-C198 PolarHBondContact O-N 3.42Å; R196-F199 PolarHBondContact O-N 3.29Å; R196-Q200 VanDerWaalsContact O-CG 3.25Å; R196-Q200 WeakPolarHBondContact O-CG 3.19Å; R196-Q200 PolarHBondContact O-N 2.89Å
197T94.6Very high90.5Very high73 Ų7377.6 Ų77.645%0.44840%0.399SS..Hα-helixtrans-59.9-40.3178.3-54.80000111.7P193 Q200 V201P193-T197 PolarHBondContact O-N 3.32Å; P193-T197 PolarHBondContact O-OG1 3.05Å; P193-T197 VanDerWaalsContact O-OG1 3.05Å; T197-Q200 PolarHBondContact O-N 3.17Å; T197-V201 HydrophobicContact CG2-CG2 4.25Å; T197-V201 WeakPolarHBondContact O-CB 3.26Å; T197-V201 VanDerWaalsContact O-CG2 3.27Å; T197-V201 WeakPolarHBondContact O-CG2 3.29Å; T197-V201 PolarHBondContact O-N 2.92Å
198C96.1Very high91.3Very high70 Ų7078.4 Ų78.447%0.47340%0.399SS..Hα-helixtrans-59.9-51178.7-175.50000112G194 V195 R196 Q200 V201 I202G194-C198 VanDerWaalsContact O-CB 3.29Å; G194-C198 WeakPolarHBondContact O-CB 3.36Å; G194-C198 PolarHBondContact O-N 2.88Å; V195-C198 PolarHBondContact O-N 3.31Å; R196-C198 VanDerWaalsContact C-N 3.3Å; R196-C198 PolarHBondContact O-N 3.42Å; C198-Q200 VanDerWaalsContact C-N 3.35Å; C198-Q200 PolarHBondContact O-N 3.45Å; C198-V201 PolarHBondContact O-N 2.88Å; C198-I202 VanDerWaalsContact O-CG1 3.32Å; C198-I202 WeakPolarHBondContact O-CG1 3.48Å; C198-I202 PolarHBondContact O-N 3.42Å
199F96Very high92.5Very high94 Ų9475.3 Ų75.341%0.41240%0.396SS..Hα-helixtrans-63-40.2177.1-78.2-73.7000112.6I182 V195 R196 V201 I202 Y203I182-F199 HydrophobicContact CD1-CB 3.63Å; I182-F199 HydrophobicContact CD1-CG 4.39Å; V195-F199 HydrophobicContact CG1-CD2 4Å; V195-F199 HydrophobicContact CG1-CE2 3.83Å; V195-F199 VanDerWaalsContact O-CD2 3.28Å; V195-F199 WeakPolarHBondContact O-CD2 3.49Å; V195-F199 PolarHBondContact O-N 3.41Å; R196-F199 PolarHBondContact O-N 3.29Å; F199-V201 PolarHBondContact O-N 3.47Å; F199-I202 PolarHBondContact O-N 2.91Å; F199-Y203 HydrophobicContact CB-CE2 4.4Å; F199-Y203 WeakPolarHBondContact O-CD2 3.35Å; F199-Y203 VanDerWaalsContact O-CG 3.31Å; F199-Y203 PolarHBondContact O-N 3.2Å
200Q97.5Very high93.7Very high33 Ų3371.7 Ų71.715%0.15438%0.382CS..Hα-helixtrans-60.4-45.6176.2-72.4168.6-23.800111.7C179 I182 R196 T197 C198 I202 Y203 I204C179-Q200 HydrophobicContact CB-CB 4.46Å; C179-Q200 HydrophobicContact CB-CG 3.96Å; C179-Q200 PolarHBondContact O-NE2 2.91Å; C179-Q200 VanDerWaalsContact SG-CA 3.53Å; I182-Q200 HydrophobicContact CG2-CG 4.31Å; R196-Q200 VanDerWaalsContact O-CG 3.25Å; R196-Q200 WeakPolarHBondContact O-CG 3.19Å; R196-Q200 PolarHBondContact O-N 2.89Å; T197-Q200 PolarHBondContact O-N 3.17Å; C198-Q200 VanDerWaalsContact C-N 3.35Å; C198-Q200 PolarHBondContact O-N 3.45Å; Q200-I202 PolarHBondContact O-N 3.48Å; Q200-Y203 PolarHBondContact O-N 2.93Å; Q200-I204 VanDerWaalsContact O-CG1 3.29Å; Q200-I204 WeakPolarHBondContact O-CG1 3.3Å; Q200-I204 PolarHBondContact O-N 3.38Å
201V98.1Very high94.8Very high87 Ų8760.8 Ų60.853%0.52734%0.341SS..Hα-helixtrans-63.1-41.7176.5170.50000111.1T197 C198 F199 I204 A205T197-V201 HydrophobicContact CG2-CG2 4.25Å; T197-V201 WeakPolarHBondContact O-CB 3.26Å; T197-V201 VanDerWaalsContact O-CG2 3.27Å; T197-V201 WeakPolarHBondContact O-CG2 3.29Å; T197-V201 PolarHBondContact O-N 2.92Å; C198-V201 PolarHBondContact O-N 2.88Å; F199-V201 PolarHBondContact O-N 3.47Å; V201-I204 PolarHBondContact O-N 3.31Å; V201-A205 VanDerWaalsContact O-CB 3.25Å; V201-A205 WeakPolarHBondContact O-CB 3.39Å; V201-A205 PolarHBondContact O-N 3.17Å
202I98.2Very high95.8Very high77 Ų7765.3 Ų65.340%0.39536%0.357SS..Hα-helixtrans-60.2-47.5176.3-70.5165.9000110.7C198 F199 Q200 I204 A205 L206C198-I202 VanDerWaalsContact O-CG1 3.32Å; C198-I202 WeakPolarHBondContact O-CG1 3.48Å; C198-I202 PolarHBondContact O-N 3.42Å; F199-I202 PolarHBondContact O-N 2.91Å; Q200-I202 PolarHBondContact O-N 3.48Å; I202-I204 PolarHBondContact O-N 2.93Å; I202-A205 PolarHBondContact O-N 3.38Å; I202-L206 HydrophobicContact CG2-CD1 4.17Å; I202-L206 HydrophobicContact CG2-CG 4.49Å; I202-L206 WeakPolarHBondContact O-CG 3.29Å; I202-L206 PolarHBondContact O-N 3.19Å
203Y98.4Very high96.4Very high20 Ų2056.9 Ų56.98%0.07832%0.324CS..Hα-helixtrans-63.2-43.6179.4-65.6-28000112.5L66 T70 A175 L178 I182 F199 Q200 A205 L206 G207L66-Y203 HydrophobicContact CD2-CE1 4.23Å; T70-Y203 HydrophobicContact CG2-CE2 4.28Å; T70-Y203 PolarHBondContact OG1-OH 2.9Å; A175-Y203 WeakPolarHBondContact CB-O 3.46Å; L178-Y203 HydrophobicContact CB-CD2 3.5Å; L178-Y203 HydrophobicContact CB-CE2 3.58Å; L178-Y203 HydrophobicContact CB-CG 4.28Å; L178-Y203 HydrophobicContact CD1-CD1 4.3Å; L178-Y203 HydrophobicContact CD1-CD2 4.13Å; L178-Y203 HydrophobicContact CD1-CE1 4.2Å; L178-Y203 HydrophobicContact CD1-CE2 3.97Å; L178-Y203 HydrophobicContact CD1-CG 4.3Å; L178-Y203 HydrophobicContact CG-CD2 4.47Å; L178-Y203 HydrophobicContact CG-CE2 4.33Å; I182-Y203 HydrophobicContact CD1-CD2 4.29Å; I182-Y203 HydrophobicContact CD1-CE2 3.57Å; F199-Y203 HydrophobicContact CB-CE2 4.4Å; F199-Y203 WeakPolarHBondContact O-CD2 3.35Å; F199-Y203 VanDerWaalsContact O-CG 3.31Å; F199-Y203 PolarHBondContact O-N 3.2Å; Q200-Y203 PolarHBondContact O-N 2.93Å; Y203-A205 VanDerWaalsContact C-N 3.35Å; Y203-L206 PolarHBondContact O-N 3.05Å; Y203-G207 PolarHBondContact O-N 3.19Å
204I98.4Very high96.9Very high72 Ų7253 Ų5337%0.36930%0.299SS..Hα-helixtrans-61.5-45.5174.9-67.4166.1000110.3Q200 V201 I202 L206 G207 L208Q200-I204 VanDerWaalsContact O-CG1 3.29Å; Q200-I204 WeakPolarHBondContact O-CG1 3.3Å; Q200-I204 PolarHBondContact O-N 3.38Å; V201-I204 PolarHBondContact O-N 3.31Å; I202-I204 PolarHBondContact O-N 2.93Å; I204-L206 PolarHBondContact O-N 3.39Å; I204-G207 WeakPolarHBondContact O-CA 3.45Å; I204-G207 PolarHBondContact O-N 2.88Å; I204-G207 VanDerWaalsContact O-N 3.12Å; I204-L208 HydrophobicContact CG2-CD1 4.12Å; I204-L208 HydrophobicContact CG2-CG 4.37Å; I204-L208 WeakPolarHBondContact O-CG 3.04Å; I204-L208 PolarHBondContact O-N 3.41Å
205A98.6Very high97.3Very high46 Ų4653.3 Ų53.338%0.3829%0.288SS..Hα-helixtrans-60.1-43.1178.700000112V201 I202 Y203 G207 L208 V209V201-A205 VanDerWaalsContact O-CB 3.25Å; V201-A205 WeakPolarHBondContact O-CB 3.39Å; V201-A205 PolarHBondContact O-N 3.17Å; I202-A205 PolarHBondContact O-N 3.38Å; Y203-A205 VanDerWaalsContact C-N 3.35Å; A205-G207 VanDerWaalsContact C-N 3.33Å; A205-G207 PolarHBondContact O-N 3.31Å; A205-L208 PolarHBondContact O-N 3.09Å; A205-V209 VanDerWaalsContact O-CG2 3.31Å; A205-V209 WeakPolarHBondContact O-CG2 3.42Å; A205-V209 PolarHBondContact O-N 3.45Å
206L98.4Very high97.6Very high80 Ų8055 Ų5542%0.41929%0.294SS..Hα-helixtrans-60.3-42.9174-70.6173.7000111.7L66 I202 Y203 I204 L208 V209 V210L66-L206 HydrophobicContact CD1-CD1 4.02Å; I202-L206 HydrophobicContact CG2-CD1 4.17Å; I202-L206 HydrophobicContact CG2-CG 4.49Å; I202-L206 WeakPolarHBondContact O-CG 3.29Å; I202-L206 PolarHBondContact O-N 3.19Å; Y203-L206 PolarHBondContact O-N 3.05Å; I204-L206 PolarHBondContact O-N 3.39Å; L206-L208 PolarHBondContact O-N 2.93Å; L206-V209 PolarHBondContact O-N 3.46Å; L206-V210 WeakPolarHBondContact O-CG2 3.44Å; L206-V210 PolarHBondContact O-N 2.98Å
207G98.5Very high97.8Very high1 Ų154 Ų541%0.0129%0.29CS..Hα-helixtrans-58.8-44.2174.200000113.1Y203 I204 A205 V210 G211Y203-G207 PolarHBondContact O-N 3.19Å; I204-G207 WeakPolarHBondContact O-CA 3.45Å; I204-G207 PolarHBondContact O-N 2.88Å; I204-G207 VanDerWaalsContact O-N 3.12Å; A205-G207 VanDerWaalsContact C-N 3.33Å; A205-G207 PolarHBondContact O-N 3.31Å; G207-V210 PolarHBondContact O-N 2.68Å; G207-G211 PolarHBondContact O-N 3.37Å
208L98.4Very high97.9Very high72 Ų7251.1 Ų51.138%0.37727%0.272SS..Hα-helixtrans-66.1-42.9176.9-67.6176.2000112.3I204 A205 L206 V210 G211 Y212I204-L208 HydrophobicContact CG2-CD1 4.12Å; I204-L208 HydrophobicContact CG2-CG 4.37Å; I204-L208 WeakPolarHBondContact O-CG 3.04Å; I204-L208 PolarHBondContact O-N 3.41Å; A205-L208 PolarHBondContact O-N 3.09Å; L206-L208 PolarHBondContact O-N 2.93Å; L208-V210 VanDerWaalsContact C-N 3.3Å; L208-V210 PolarHBondContact O-N 2.91Å; L208-G211 CarbonylContact O-C 3.34Å; L208-G211 WeakPolarHBondContact O-CA 3.3Å; L208-G211 PolarHBondContact O-N 3.2Å; L208-Y212 HydrophobicContact CB-CE2 4.14Å; L208-Y212 VanDerWaalsContact O-CG 3.29Å; L208-Y212 PolarHBondContact O-N 3.19Å
209V98.4Very high97.9Very high84 Ų8448.1 Ų48.151%0.50925%0.251SS..Hα-helixtrans-58.5-42.8176168.10000110.9I54 A205 L206 G211 Y212 S213I54-V209 HydrophobicContact CD1-CG1 4.38Å; A205-V209 VanDerWaalsContact O-CG2 3.31Å; A205-V209 WeakPolarHBondContact O-CG2 3.42Å; A205-V209 PolarHBondContact O-N 3.45Å; L206-V209 PolarHBondContact O-N 3.46Å; V209-G211 PolarHBondContact O-N 2.85Å; V209-Y212 PolarHBondContact O-N 3.43Å; V209-S213 WeakPolarHBondContact O-CB 3.09Å; V209-S213 PolarHBondContact O-N 2.66Å
210V98.6Very high98Very high16 Ų1644 Ų4410%0.09723%0.233CC..Hα-helixtrans-60.3-46.81731760000110.7I54 L59 H167 A171 L206 G207 L208 S213 R214I54-V210 HydrophobicContact CD1-CB 4.38Å; I54-V210 HydrophobicContact CD1-CG2 3.84Å; L59-V210 HydrophobicContact CD1-CG1 4.33Å; L59-V210 HydrophobicContact CD1-CG2 4.48Å; H167-V210 HydrophobicContact CB-CG1 3.8Å; H167-V210 WeakPolarHBondContact O-CG1 3.34Å; A171-V210 HydrophobicContact CB-CB 3.67Å; A171-V210 HydrophobicContact CB-CG1 3.75Å; A171-V210 HydrophobicContact CB-CG2 3.85Å; L206-V210 WeakPolarHBondContact O-CG2 3.44Å; L206-V210 PolarHBondContact O-N 2.98Å; G207-V210 PolarHBondContact O-N 2.68Å; L208-V210 VanDerWaalsContact C-N 3.3Å; L208-V210 PolarHBondContact O-N 2.91Å; V210-S213 PolarHBondContact O-N 3.02Å; V210-S213 PolarHBondContact O-OG 3.12Å; V210-R214 PolarHBondContact O-N 3.24Å
211G98.5Very high98.1Very high2 Ų243.6 Ų43.62%0.02123%0.231CC..Hα-helixtrans-57.5-50.1176.500000113.6G207 L208 V209 S213 R214G207-G211 PolarHBondContact O-N 3.37Å; L208-G211 CarbonylContact O-C 3.34Å; L208-G211 WeakPolarHBondContact O-CA 3.3Å; L208-G211 PolarHBondContact O-N 3.2Å; V209-G211 PolarHBondContact O-N 2.85Å; G211-S213 VanDerWaalsContact C-N 3.34Å; G211-S213 PolarHBondContact O-N 3.29Å; G211-R214 WeakPolarHBondContact O-CB 3.41Å; G211-R214 PolarHBondContact O-N 2.87Å; G211-R214 VanDerWaalsContact O-N 3.13Å
212Y98.5Very high98.1Very high133 Ų13347.9 Ų47.952%0.52224%0.238SC..Hα-helixtrans-64.1-38.3-179.9-61.4-23.4000112.3L208 V209 R214 I215 I216L208-Y212 HydrophobicContact CB-CE2 4.14Å; L208-Y212 VanDerWaalsContact O-CG 3.29Å; L208-Y212 PolarHBondContact O-N 3.19Å; V209-Y212 PolarHBondContact O-N 3.43Å; Y212-R214 PolarHBondContact O-N 3.37Å; Y212-I215 PolarHBondContact O-N 3.05Å; Y212-I216 WeakPolarHBondContact O-CG1 3.49Å; Y212-I216 PolarHBondContact O-N 3.36Å
213S98.3Very high98.1Very high6 Ų645.5 Ų45.54%0.04223%0.228CC..Hα-helixtrans-55.7-36175790000111.9V209 V210 G211 I215 I216 D217V209-S213 WeakPolarHBondContact O-CB 3.09Å; V209-S213 PolarHBondContact O-N 2.66Å; V210-S213 PolarHBondContact O-N 3.02Å; V210-S213 PolarHBondContact O-OG 3.12Å; G211-S213 VanDerWaalsContact C-N 3.34Å; G211-S213 PolarHBondContact O-N 3.29Å; S213-I215 VanDerWaalsContact C-N 3.3Å; S213-I215 PolarHBondContact O-N 3.48Å; S213-I216 PolarHBondContact O-N 3.1Å; S213-D217 WeakPolarHBondContact O-CB 3.35Å; S213-D217 PolarHBondContact O-N 3.4Å; S213-D217 VanDerWaalsContact O-OD2 3.11Å
214R98.1Very high98.1Very high1 Ų144.6 Ų44.60%0.00423%0.225CC..Hα-helixtrans-67.8-30-180-64-50.785.5150.9-7.4113.7I54 H167 V210 G211 Y212 D217 K219 H220 V225I54-R214 VanDerWaalsContact N-NH2 3.18Å; I54-R214 VanDerWaalsContact O-CZ 3.26Å; I54-R214 PolarHBondContact O-NH1 2.8Å; I54-R214 PolarHBondContact O-NH2 2.88Å; H167-R214 HydrophobicContact CB-CG 3.98Å; H167-R214 PolarHBondContact CD2-NH1 3.42Å; H167-R214 PolarHBondContact CE1-NH1 3.41Å; H167-R214 PolarHBondContact ND1-NH1 3.44Å; H167-R214 PolarHBondContact NE2-NH1 2.87Å; V210-R214 PolarHBondContact O-N 3.24Å; G211-R214 WeakPolarHBondContact O-CB 3.41Å; G211-R214 PolarHBondContact O-N 2.87Å; G211-R214 VanDerWaalsContact O-N 3.13Å; Y212-R214 PolarHBondContact O-N 3.37Å; R214-D217 IonicContact CZ-OD2 3.7Å; R214-D217 IonicContact NE-OD2 3.95Å; R214-D217 IonicContact NH2-OD2 2.88Å; R214-D217 PolarHBondContact NH2-OD2 3.03Å; R214-K219 PolarHBondContact O-N 2.77Å; R214-H220 HydrophobicContact CB-CB 4.09Å; R214-H220 PolarHBondContact O-N 2.65Å; R214-V225 HydrophobicContact CB-CG2 3.98Å
215I98Very high98.1Very high59 Ų5942 Ų4230%0.30321%0.212SC..Hα-helixtrans-76.5-47.7176.1-54.5179.6000109.3Y212 S213 D217 N218 W222 V225Y212-I215 PolarHBondContact O-N 3.05Å; S213-I215 VanDerWaalsContact C-N 3.3Å; S213-I215 PolarHBondContact O-N 3.48Å; I215-D217 VanDerWaalsContact C-N 3.32Å; I215-D217 PolarHBondContact O-N 3.1Å; I215-N218 PolarHBondContact O-N 3.46Å; I215-N218 VanDerWaalsContact O-N 3.14Å; I215-W222 HydrophobicContact CD1-CB 4.15Å; I215-V225 HydrophobicContact CD1-CB 4.47Å; I215-V225 HydrophobicContact CD1-CG2 4.26Å; I215-V225 HydrophobicContact CG1-CG2 3.77Å
216I97.3Very high98.1Very high102 Ų10244.2 Ų44.252%0.52322%0.217SC..Hα-helixtrans-63-38.3-179.4-65.2165.6000111.7R50 Y212 S213 N218R50-I216 WeakPolarHBondContact CD-O 3.16Å; R50-I216 PolarHBondContact NH1-O 2.82Å; R50-I216 VanDerWaalsContact NH1-O 3.09Å; Y212-I216 WeakPolarHBondContact O-CG1 3.49Å; Y212-I216 PolarHBondContact O-N 3.36Å; S213-I216 PolarHBondContact O-N 3.1Å; I216-N218 PolarHBondContact O-N 3.23Å
217D97.4Very high98.1Very high5 Ų541.1 Ų41.13%0.02721%0.205CC..THydrogen-bonded Turntrans-78.84.4179.1-62.3-19.8000113T53 S213 R214 I215 K219T53-D217 WeakPolarHBondContact CB-OD1 3.4Å; T53-D217 PolarHBondContact N-OD1 3.34Å; T53-D217 PolarHBondContact N-OD2 2.66Å; T53-D217 PolarHBondContact OG1-OD1 3.32Å; S213-D217 WeakPolarHBondContact O-CB 3.35Å; S213-D217 PolarHBondContact O-N 3.4Å; S213-D217 VanDerWaalsContact O-OD2 3.11Å; R214-D217 IonicContact CZ-OD2 3.7Å; R214-D217 IonicContact NE-OD2 3.95Å; R214-D217 IonicContact NH2-OD2 2.88Å; R214-D217 PolarHBondContact NH2-OD2 3.03Å; I215-D217 VanDerWaalsContact C-N 3.32Å; I215-D217 PolarHBondContact O-N 3.1Å; D217-K219 HydrophobicContact CB-CG 3.71Å; D217-K219 WeakPolarHBondContact O-CE 3.28Å; D217-K219 PolarHBondContact O-N 2.87Å; D217-K219 VanDerWaalsContact O-N 3.13Å
218N96.8Very high98.1Very high13 Ų1341.1 Ų41.17%0.0720%0.204CC..THydrogen-bonded Turntrans53.329.9-175.2-61.2-35.2000113.7K47 P48 P127 N128 I215 I216K47-N218 HydrophobicContact CB-CB 4.09Å; K47-N218 HydrophobicContact CD-CB 4.42Å; K47-N218 WeakPolarHBondContact CD-OD1 3.12Å; P48-N218 PolarHBondContact O-ND2 3.22Å; P127-N218 HydrophobicContact CB-CB 4.48Å; N128-N218 HydrophobicContact CB-CB 4.5Å; N128-N218 VanDerWaalsContact CG-O 3.3Å; N128-N218 PolarHBondContact ND2-O 3.24Å; N128-N218 VanDerWaalsContact ND2-O 3.12Å; I215-N218 PolarHBondContact O-N 3.46Å; I215-N218 VanDerWaalsContact O-N 3.14Å; I216-N218 PolarHBondContact O-N 3.23Å
219K96.5Very high98.1Very high8 Ų838.3 Ų38.34%0.03519%0.193CC..SBendtrans-88-29.6-178.5-60.1-63.9165.1178.10112.4R50 N52 R126 R214 D217R50-K219 WeakPolarHBondContact O-CE 3.43Å; R50-K219 PolarHBondContact O-NZ 2.79Å; N52-K219 WeakPolarHBondContact OD1-CE 3.18Å; R126-K219 VanDerWaalsContact CD-O 3.25Å; R126-K219 WeakPolarHBondContact CD-O 3.02Å; R126-K219 VanDerWaalsContact CG-O 3.3Å; R126-K219 WeakPolarHBondContact CG-O 3.48Å; R214-K219 PolarHBondContact O-N 2.77Å; D217-K219 HydrophobicContact CB-CG 3.71Å; D217-K219 WeakPolarHBondContact O-CE 3.28Å; D217-K219 PolarHBondContact O-N 2.87Å; D217-K219 VanDerWaalsContact O-N 3.13Å
220H98Very high98.1Very high8 Ų838.3 Ų38.34%0.03719%0.19CC..SBendtrans-146.3147.3-172.2-72.2-66.7000110.8S162 R214 D224 V225S162-H220 PolarHBondContact O-CE1 3.03Å; S162-H220 PolarHBondContact O-ND1 3.27Å; R214-H220 HydrophobicContact CB-CB 4.09Å; R214-H220 PolarHBondContact O-N 2.65Å; H220-D224 HydrophobicContact CB-CB 3.89Å; H220-D224 IonicContact ND1-OD2 3.95Å; H220-V225 HydrophobicContact CB-CG2 4.07Å
221H98.3Very high98.2Very high23 Ų2339.3 Ų39.311%0.10619%0.194CC..  trans-70.2158.4167.3-59.386.5000109.7S44 R124 L125 S223 D224 V225S44-H221 PolarHBondContact O-NE2 3.35Å; R124-H221 PolarHBondContact NE-ND1 3.27Å; R124-H221 VanDerWaalsContact NH2-CG 3.34Å; L125-H221 PolarHBondContact O-CE1 3.4Å; H221-S223 PolarHBondContact O-N 3.11Å; H221-D224 WeakPolarHBondContact CB-OD2 3.36Å; H221-D224 IonicContact CG-OD2 3.68Å; H221-D224 PolarHBondContact N-OD2 2.79Å; H221-D224 IonicContact ND1-OD2 3.12Å; H221-D224 PolarHBondContact ND1-OD2 3.34Å; H221-D224 VanDerWaalsContact ND1-OD2 3.12Å; H221-D224 WeakPolarHBondContact O-CB 3.35Å; H221-D224 PolarHBondContact O-N 2.85Å; H221-V225 PolarHBondContact O-N 3.3Å; H221-V225 VanDerWaalsContact O-N 3.16Å
222W98Very high98.2Very high177 Ų17739.2 Ų39.267%0.6719%0.193SC*.Hα-helixtrans-55.6-35.717570.8-97.5000112I215 V225 L226I215-W222 HydrophobicContact CD1-CB 4.15Å; W222-V225 WeakPolarHBondContact O-CB 3.36Å; W222-V225 PolarHBondContact O-N 3.39Å; W222-L226 HydrophobicContact CZ3-CD2 3.91Å; W222-L226 PolarHBondContact O-N 3.46Å
223S98.3Very high98.2Very high28 Ų2836.7 Ų36.720%0.19619%0.185CC..Hα-helixtrans-71.2-28.7177.538.80000113.3R124 F163 H221 V225 G227R124-S223 PolarHBondContact NH1-OG 3.02Å; R124-S223 PolarHBondContact NH2-OG 2.95Å; F163-S223 WeakPolarHBondContact CE2-O 3.32Å; H221-S223 PolarHBondContact O-N 3.11Å; S223-V225 VanDerWaalsContact C-N 3.34Å; S223-G227 PolarHBondContact O-N 3.23Å
224D98.5Very high98.2Very high0 Ų042.5 Ų42.50%021%0.21CC..Hα-helixtrans-68.4-39172.4-56.6-26.8000110.7R124 S162 F163 S165 H220 H221 G228R124-D224 WeakPolarHBondContact CD-OD1 3.35Å; R124-D224 IonicContact CZ-OD1 2.66Å; R124-D224 IonicContact NE-OD1 2.82Å; R124-D224 IonicContact NH1-OD1 3.31Å; R124-D224 PolarHBondContact NH1-OD1 2.9Å; S162-D224 WeakPolarHBondContact CB-OD2 3.28Å; S162-D224 WeakPolarHBondContact O-CB 3.27Å; S162-D224 PolarHBondContact OG-OD2 3Å; F163-D224 VanDerWaalsContact CB-OD1 3.3Å; F163-D224 WeakPolarHBondContact CB-OD1 3.47Å; F163-D224 HydrophobicContact CD2-CB 4.36Å; F163-D224 VanDerWaalsContact CD2-OD1 3.29Å; F163-D224 WeakPolarHBondContact CD2-OD1 3.29Å; S165-D224 VanDerWaalsContact CB-O 3.26Å; S165-D224 WeakPolarHBondContact CB-O 3.47Å; S165-D224 PolarHBondContact N-O 3.49Å; H220-D224 HydrophobicContact CB-CB 3.89Å; H220-D224 IonicContact ND1-OD2 3.95Å; H221-D224 WeakPolarHBondContact CB-OD2 3.36Å; H221-D224 IonicContact CG-OD2 3.68Å; H221-D224 PolarHBondContact N-OD2 2.79Å; H221-D224 IonicContact ND1-OD2 3.12Å; H221-D224 PolarHBondContact ND1-OD2 3.34Å; H221-D224 VanDerWaalsContact ND1-OD2 3.12Å; H221-D224 WeakPolarHBondContact O-CB 3.35Å; H221-D224 PolarHBondContact O-N 2.85Å; D224-G228 PolarHBondContact O-N 3.44Å
225V98.7Very high98.1Very high17 Ų1743 Ų4310%0.10321%0.213CC..Hα-helixtrans-65.8-47175.1175.40000110.3T168 R214 I215 H220 H221 W222 S223 G228 G229T168-V225 HydrophobicContact CG2-CG1 3.82Å; T168-V225 WeakPolarHBondContact CG2-O 3.41Å; R214-V225 HydrophobicContact CB-CG2 3.98Å; I215-V225 HydrophobicContact CD1-CB 4.47Å; I215-V225 HydrophobicContact CD1-CG2 4.26Å; I215-V225 HydrophobicContact CG1-CG2 3.77Å; H220-V225 HydrophobicContact CB-CG2 4.07Å; H221-V225 PolarHBondContact O-N 3.3Å; H221-V225 VanDerWaalsContact O-N 3.16Å; W222-V225 WeakPolarHBondContact O-CB 3.36Å; W222-V225 PolarHBondContact O-N 3.39Å; S223-V225 VanDerWaalsContact C-N 3.34Å; V225-G228 PolarHBondContact O-N 3.36Å; V225-G229 PolarHBondContact O-N 3.46Å
226L98.6Very high98.1Very high94 Ų9440.2 Ų40.249%0.49220%0.199SC..Hα-helixtrans-60.1-48.6175.6-179.762.3000111.9W222 G228 G229 L230W222-L226 HydrophobicContact CZ3-CD2 3.91Å; W222-L226 PolarHBondContact O-N 3.46Å; L226-G228 VanDerWaalsContact C-N 3.31Å; L226-G228 PolarHBondContact O-N 3.1Å; L226-G229 PolarHBondContact O-N 2.97Å; L226-G229 VanDerWaalsContact O-N 3.15Å; L226-L230 HydrophobicContact CD1-CD1 4.39Å; L226-L230 HydrophobicContact CD1-CG 4.29Å; L226-L230 HydrophobicContact CG-CD1 4.24Å; L226-L230 WeakPolarHBondContact O-CG 3.24Å; L226-L230 PolarHBondContact O-N 3.22Å
227G98.6Very high98.1Very high15 Ų1538.1 Ų38.116%0.15519%0.188CC..Hα-helixtrans-61.1-39.4177.900000112.6S223 L231S223-G227 PolarHBondContact O-N 3.23Å; G227-L231 WeakPolarHBondContact O-CB 3.49Å; G227-L231 PolarHBondContact O-N 3.47Å
228G98.8Very high97.9Very high0 Ų040.7 Ų40.70%021%0.206CC..Hα-helixtrans-62.6-46.1172.400000112.1S169 D224 V225 L226 L231 G232S169-G228 WeakPolarHBondContact CA-O 3.22Å; S169-G228 VanDerWaalsContact CB-O 3.27Å; S169-G228 WeakPolarHBondContact CB-O 3.23Å; D224-G228 PolarHBondContact O-N 3.44Å; V225-G228 PolarHBondContact O-N 3.36Å; L226-G228 VanDerWaalsContact C-N 3.31Å; L226-G228 PolarHBondContact O-N 3.1Å; G228-L231 PolarHBondContact O-N 3.14Å; G228-G232 PolarHBondContact O-N 3.42Å
229G98.7Very high97.6Very high13 Ų1340.4 Ų40.413%0.13421%0.205CC..Hα-helixtrans-61.5-45.9178.100000113.1I172 V225 L226 L231 G232 F233I172-G229 VanDerWaalsContact CG2-O 3.32Å; I172-G229 WeakPolarHBondContact CG2-O 3.32Å; V225-G229 PolarHBondContact O-N 3.46Å; L226-G229 PolarHBondContact O-N 2.97Å; L226-G229 VanDerWaalsContact O-N 3.15Å; G229-L231 PolarHBondContact O-N 3.42Å; G229-G232 PolarHBondContact O-N 3.23Å; G229-F233 VanDerWaalsContact O-CB 3.29Å; G229-F233 WeakPolarHBondContact O-CB 3.41Å; G229-F233 PolarHBondContact O-N 3.41Å
230L98.7Very high97Very high85 Ų8542.1 Ų42.145%0.44522%0.215SC..Hα-helixtrans-61.3-44.2175.7-69.8175.7000111.6L226 F233 F234L226-L230 HydrophobicContact CD1-CD1 4.39Å; L226-L230 HydrophobicContact CD1-CG 4.29Å; L226-L230 HydrophobicContact CG-CD1 4.24Å; L226-L230 WeakPolarHBondContact O-CG 3.24Å; L226-L230 PolarHBondContact O-N 3.22Å; L230-F233 PolarHBondContact O-N 2.97Å; L230-F234 HydrophobicContact CB-CD2 4.44Å; L230-F234 HydrophobicContact CB-CE2 4.38Å; L230-F234 HydrophobicContact CD2-CE2 4.35Å; L230-F234 WeakPolarHBondContact O-CD2 3.5Å; L230-F234 PolarHBondContact O-N 3.27Å
231L98.7Very high96.1Very high37 Ų3750.5 Ų50.519%0.19425%0.247CC..Hα-helixtrans-58.1-52176.2-173.4159.9000110.9T111 L114 P164 G227 G228 G229 F233 F234 V235T111-L231 HydrophobicContact CG2-CD2 3.81Å; L114-L231 HydrophobicContact CB-CD1 4.06Å; L114-L231 HydrophobicContact CB-CD2 4.27Å; L114-L231 HydrophobicContact CB-CG 4.47Å; P164-L231 HydrophobicContact CG-CD1 4Å; G227-L231 WeakPolarHBondContact O-CB 3.49Å; G227-L231 PolarHBondContact O-N 3.47Å; G228-L231 PolarHBondContact O-N 3.14Å; G229-L231 PolarHBondContact O-N 3.42Å; L231-F233 VanDerWaalsContact C-N 3.31Å; L231-F233 PolarHBondContact O-N 2.95Å; 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 3.31Å; L231-V235 PolarHBondContact O-N 3.46Å
232G98.7Very high95.1Very high0 Ų057.7 Ų57.70%027%0.274CS..Hα-helixtrans-60.3-40.617900000112.8S169 Y173 G228 G229 A236S169-G232 WeakPolarHBondContact O-CA 3.42Å; Y173-G232 WeakPolarHBondContact CA-O 3.39Å; G228-G232 PolarHBondContact O-N 3.42Å; G229-G232 PolarHBondContact O-N 3.23Å; G232-A236 WeakPolarHBondContact O-CB 3.35Å; G232-A236 PolarHBondContact O-N 3.36Å
233F98.6Very high94.1Very high80 Ų8049.4 Ų49.435%0.35124%0.243SC..Hα-helixtrans-61.1-52176.6175-97000112.1I172 I176 G229 L230 L231 A236 L237I172-F233 HydrophobicContact CG2-CB 4.22Å; I176-F233 HydrophobicContact CD1-CD2 3.91Å; I176-F233 HydrophobicContact CD1-CE2 4.36Å; I176-F233 HydrophobicContact CG1-CD2 3.92Å; I176-F233 HydrophobicContact CG2-CD2 4.14Å; I176-F233 HydrophobicContact CG2-CE2 4.49Å; G229-F233 VanDerWaalsContact O-CB 3.29Å; G229-F233 WeakPolarHBondContact O-CB 3.41Å; G229-F233 PolarHBondContact O-N 3.41Å; L230-F233 PolarHBondContact O-N 2.97Å; L231-F233 VanDerWaalsContact C-N 3.31Å; L231-F233 PolarHBondContact O-N 2.95Å; F233-A236 PolarHBondContact O-N 2.96Å; F233-L237 HydrophobicContact CD1-CD1 3.97Å; F233-L237 HydrophobicContact CE1-CD1 3.32Å; F233-L237 HydrophobicContact CE1-CG 4.18Å; F233-L237 HydrophobicContact CE2-CD1 4.35Å; F233-L237 HydrophobicContact CZ-CD1 3.55Å; F233-L237 HydrophobicContact CZ-CG 4.17Å; F233-L237 PolarHBondContact O-N 2.94Å
234F98.2Very high92.9Very high127 Ų12749.9 Ų49.956%0.55725%0.246SC*.Hα-helixtrans-68.3-36.3-178.7-74.1-61.9000112.7L230 L231 L237 S238L230-F234 HydrophobicContact CB-CD2 4.44Å; L230-F234 HydrophobicContact CB-CE2 4.38Å; L230-F234 HydrophobicContact CD2-CE2 4.35Å; L230-F234 WeakPolarHBondContact O-CD2 3.5Å; L230-F234 PolarHBondContact O-N 3.27Å; L231-F234 PolarHBondContact O-N 2.94Å; F234-L237 HydrophobicContact CD1-CD1 4.36Å; F234-L237 PolarHBondContact O-N 3.06Å; F234-S238 PolarHBondContact O-N 3.14Å
235V97.8Very high91.6Very high13 Ų1350.4 Ų50.48%0.07925%0.248CC..Hα-helixtrans-63-44.9173.1176.60000110.2G107 T111 L114 Y173 L231 L237 S238 T239G107-V235 WeakPolarHBondContact O-CG1 3.23Å; T111-V235 VanDerWaalsContact OG1-CG1 3.3Å; T111-V235 WeakPolarHBondContact OG1-CG1 3.3Å; L114-V235 HydrophobicContact CD1-CG2 3.72Å; Y173-V235 HydrophobicContact CD2-CB 4.25Å; Y173-V235 HydrophobicContact CD2-CG1 3.94Å; Y173-V235 HydrophobicContact CE2-CG1 4.02Å; L231-V235 HydrophobicContact CD2-CG2 4.02Å; L231-V235 VanDerWaalsContact O-CG2 3.29Å; L231-V235 WeakPolarHBondContact O-CG2 3.31Å; L231-V235 PolarHBondContact O-N 3.46Å; V235-L237 PolarHBondContact O-N 2.97Å; V235-S238 PolarHBondContact O-N 2.82Å; V235-S238 VanDerWaalsContact O-N 3.12Å; V235-S238 PolarHBondContact O-OG 3.05Å; V235-T239 WeakPolarHBondContact O-CG2 3.17Å; V235-T239 PolarHBondContact O-N 3.31Å
236A97.7Very high90Very high0 Ų051.2 Ų51.20%025%0.253CS..Hα-helixtrans-60.9-42.7176.700000112.4Y173 I176 F177 G232 F233 S238 T239 L240Y173-A236 HydrophobicContact CD2-CB 3.82Å; Y173-A236 HydrophobicContact CE2-CB 4.14Å; I176-A236 HydrophobicContact CB-CB 3.75Å; I176-A236 HydrophobicContact CG2-CB 3.6Å; F177-A236 HydrophobicContact CB-CB 4.37Å; G232-A236 WeakPolarHBondContact O-CB 3.35Å; G232-A236 PolarHBondContact O-N 3.36Å; F233-A236 PolarHBondContact O-N 2.96Å; A236-S238 VanDerWaalsContact C-N 3.33Å; A236-S238 PolarHBondContact O-N 3.29Å; A236-T239 PolarHBondContact O-N 3.48Å; A236-T239 PolarHBondContact O-OG1 3.13Å; A236-L240 PolarHBondContact O-N 2.64Å
237L95.7Very high88.3Confident58 Ų5849.2 Ų49.230%0.30425%0.25SC..Hα-helixtrans-60.8-40.7172.8-71.7-177.8000112.3L180 F233 F234 V235 T239 L240L180-L237 HydrophobicContact CD1-CD2 4.22Å; L180-L237 HydrophobicContact CD2-CD2 4.43Å; F233-L237 HydrophobicContact CD1-CD1 3.97Å; F233-L237 HydrophobicContact CE1-CD1 3.32Å; F233-L237 HydrophobicContact CE1-CG 4.18Å; F233-L237 HydrophobicContact CE2-CD1 4.35Å; F233-L237 HydrophobicContact CZ-CD1 3.55Å; F233-L237 HydrophobicContact CZ-CG 4.17Å; F233-L237 PolarHBondContact O-N 2.94Å; F234-L237 HydrophobicContact CD1-CD1 4.36Å; F234-L237 PolarHBondContact O-N 3.06Å; V235-L237 PolarHBondContact O-N 2.97Å; L237-T239 PolarHBondContact O-N 3.12Å; L237-L240 WeakPolarHBondContact O-CB 3.45Å; L237-L240 PolarHBondContact O-N 3.1Å; L237-L240 VanDerWaalsContact O-N 3.1Å
238S93.3Very high86.9Confident58 Ų5852.7 Ų52.741%0.40627%0.265SS..Hα-helixtrans-64-30.5177.878.20000112.7F234 V235 A236 L240 Y242F234-S238 PolarHBondContact O-N 3.14Å; V235-S238 PolarHBondContact O-N 2.82Å; V235-S238 VanDerWaalsContact O-N 3.12Å; V235-S238 PolarHBondContact O-OG 3.05Å; A236-S238 VanDerWaalsContact C-N 3.33Å; A236-S238 PolarHBondContact O-N 3.29Å; S238-L240 PolarHBondContact O-N 3.42Å; S238-Y242 WeakPolarHBondContact O-CD2 3.21Å
239T90.8Very high85.2Confident8 Ų855.6 Ų55.65%0.04928%0.28CS..Hα-helixtrans-71.9-16.3176.559.20000113.7Y173 F177 V235 A236 L237 Y241 Y242 L243Y173-T239 HydrophobicContact CE2-CG2 4.21Å; F177-T239 WeakPolarHBondContact CD2-OG1 3.46Å; V235-T239 WeakPolarHBondContact O-CG2 3.17Å; V235-T239 PolarHBondContact O-N 3.31Å; A236-T239 PolarHBondContact O-N 3.48Å; A236-T239 PolarHBondContact O-OG1 3.13Å; L237-T239 PolarHBondContact O-N 3.12Å; T239-Y241 VanDerWaalsContact C-N 3.3Å; T239-Y241 PolarHBondContact O-N 2.95Å; T239-Y242 PolarHBondContact O-N 3.18Å; T239-Y242 VanDerWaalsContact O-N 3.1Å; T239-L243 PolarHBondContact O-N 3.38Å
240L84.8Confident83.6Confident44 Ų4461.6 Ų61.623%0.2330%0.304CS..G310 helixtrans-55.5-45.7-179.7-172.667.9000111.5L180 L184 A236 L237 S238 Y242 L243 V246L180-L240 HydrophobicContact CB-CD1 4.22Å; L180-L240 HydrophobicContact CD1-CD1 4.32Å; L180-L240 HydrophobicContact CD2-CD1 4.16Å; L180-L240 HydrophobicContact CG-CD1 4.46Å; L184-L240 HydrophobicContact CD1-CD1 3.36Å; L184-L240 HydrophobicContact CG-CD1 4.22Å; A236-L240 PolarHBondContact O-N 2.64Å; L237-L240 WeakPolarHBondContact O-CB 3.45Å; L237-L240 PolarHBondContact O-N 3.1Å; L237-L240 VanDerWaalsContact O-N 3.1Å; S238-L240 PolarHBondContact O-N 3.42Å; L240-Y242 PolarHBondContact O-N 3.13Å; L240-Y242 VanDerWaalsContact O-N 3.12Å; L240-L243 HydrophobicContact CD1-CD1 4.24Å; L240-L243 WeakPolarHBondContact O-CB 3.5Å; L240-L243 PolarHBondContact O-N 3.42Å; L240-V246 HydrophobicContact CD1-CG2 4.44Å; L240-V246 HydrophobicContact CG-CG2 4.31Å; L240-V246 WeakPolarHBondContact O-CG2 3.37Å
241Y78.4Confident82.1Confident184 Ų18464.1 Ų64.172%0.72232%0.318SS*.G310 helixtrans-60.5-23.1-178.8-67.1-73.8000113.9T239T239-Y241 VanDerWaalsContact C-N 3.3Å; T239-Y241 PolarHBondContact O-N 2.95Å
242Y77.4Confident80.4Confident173 Ų17365.7 Ų65.768%0.67833%0.333SS*.G310 helixtrans-97.2-6.7-178.7-55.5-75.9000112.5V103 S238 T239 L240V103-Y242 VanDerWaalsContact CG2-O 3.29Å; V103-Y242 WeakPolarHBondContact CG2-O 3.42Å; S238-Y242 WeakPolarHBondContact O-CD2 3.21Å; T239-Y242 PolarHBondContact O-N 3.18Å; T239-Y242 VanDerWaalsContact O-N 3.1Å; L240-Y242 PolarHBondContact O-N 3.13Å; L240-Y242 VanDerWaalsContact O-N 3.12Å
243L78Confident78.9Confident3 Ų371 Ų712%0.01636%0.36CS..SBendtrans-66.8129.5173.3-75.6174.7000109.4V103 F177 L184 T239 L240 Y245 V246V103-L243 HydrophobicContact CB-CD2 4.41Å; V103-L243 HydrophobicContact CG1-CD2 4.13Å; V103-L243 HydrophobicContact CG1-CG 4.39Å; F177-L243 HydrophobicContact CE2-CD2 4.14Å; F177-L243 HydrophobicContact CZ-CD2 4.02Å; L184-L243 HydrophobicContact CD1-CD1 3.74Å; T239-L243 PolarHBondContact O-N 3.38Å; L240-L243 HydrophobicContact CD1-CD1 4.24Å; L240-L243 WeakPolarHBondContact O-CB 3.5Å; L240-L243 PolarHBondContact O-N 3.42Å; L243-Y245 PolarHBondContact O-N 3.23Å; L243-V246 HydrophobicContact CB-CG2 4.34Å; L243-V246 PolarHBondContact O-N 3.43Å
244P71.4Confident77Confident38 Ų3872.7 Ų72.725%0.24738%0.379CS..Hα-helixtrans-59.4-23.7-173.424.7-36000113D99 V246D99-P244 HydrophobicContact CB-CB 4.34Å; D99-P244 HydrophobicContact CB-CG 3.83Å; P244-V246 VanDerWaalsContact C-N 3.35Å; P244-V246 PolarHBondContact O-N 3.05Å
245Y71Confident75.4Confident12 Ų1272.4 Ų72.45%0.04739%0.388CS..Hα-helixtrans-78-14.7-177.4-41.9-59.1000114.2E75 P96 S100 Y181 L243 D248 I249E75-Y245 PolarHBondContact OE1-OH 3.49Å; E75-Y245 PolarHBondContact OE2-OH 3.43Å; P96-Y245 HydrophobicContact CB-CE1 4.3Å; P96-Y245 WeakPolarHBondContact CB-OH 3.41Å; P96-Y245 PolarHBondContact O-OH 3.3Å; S100-Y245 PolarHBondContact OG-OH 2.83Å; Y181-Y245 HydrophobicContact CD2-CE2 4.3Å; Y181-Y245 HydrophobicContact CE2-CE2 4.05Å; L243-Y245 PolarHBondContact O-N 3.23Å; Y245-D248 PolarHBondContact O-N 3.11Å; Y245-I249 VanDerWaalsContact O-CG1 3.31Å; Y245-I249 WeakPolarHBondContact O-CG1 3.42Å; Y245-I249 PolarHBondContact O-N 3.33Å; Y245-I249 VanDerWaalsContact O-N 3.11Å
246V65.3Low73.6Confident34 Ų3477.6 Ų77.621%0.20642%0.423CS..Hα-helixtrans-70.6-43.1-179.3174.10000111L184 L240 L243 P244 D248 I249 E250L184-V246 HydrophobicContact CD1-CG2 3.93Å; L240-V246 HydrophobicContact CD1-CG2 4.44Å; L240-V246 HydrophobicContact CG-CG2 4.31Å; L240-V246 WeakPolarHBondContact O-CG2 3.37Å; L243-V246 HydrophobicContact CB-CG2 4.34Å; L243-V246 PolarHBondContact O-N 3.43Å; P244-V246 VanDerWaalsContact C-N 3.35Å; P244-V246 PolarHBondContact O-N 3.05Å; V246-D248 VanDerWaalsContact C-N 3.29Å; V246-D248 PolarHBondContact O-N 3.41Å; V246-I249 WeakPolarHBondContact O-CB 3.31Å; V246-I249 PolarHBondContact O-N 3.48Å; V246-E250 PolarHBondContact O-N 2.98Å
247A64.5Low71.6Confident52 Ų5286.6 Ų86.643%0.4346%0.458SS..Hα-helixtrans-62.2-37.6174.800000111.9I249 E250 N251A247-I249 VanDerWaalsContact C-N 3.28Å; A247-I249 PolarHBondContact O-N 3.39Å; A247-E250 PolarHBondContact O-N 3.38Å; A247-N251 WeakPolarHBondContact O-CB 3.44Å; A247-N251 PolarHBondContact O-N 3Å; A247-N251 PolarHBondContact O-ND2 3.33Å; A247-N251 VanDerWaalsContact O-ND2 3.09Å
248D67.8Low69.7Low87 Ų8789.9 Ų89.947%0.46548%0.475SS..Hα-helixtrans-64.6-31.5174.2-73.7-16.2000112.6Y245 V246 S252Y245-D248 PolarHBondContact O-N 3.11Å; V246-D248 VanDerWaalsContact C-N 3.29Å; V246-D248 PolarHBondContact O-N 3.41Å; D248-S252 VanDerWaalsContact O-CB 3.31Å; D248-S252 WeakPolarHBondContact O-CB 3.31Å; D248-S252 PolarHBondContact O-N 3.06Å; D248-S252 PolarHBondContact O-OG 3.16Å
249I63.4Low67.9Low61 Ų6192 Ų9231%0.31348%0.482SS..Hα-helixtrans-71.1-49.4174.9-71.2163.9000109.7L184 Y245 V246 A247 N251 S252 L253L184-I249 HydrophobicContact CD2-CD1 3.58Å; Y245-I249 VanDerWaalsContact O-CG1 3.31Å; Y245-I249 WeakPolarHBondContact O-CG1 3.42Å; Y245-I249 PolarHBondContact O-N 3.33Å; Y245-I249 VanDerWaalsContact O-N 3.11Å; V246-I249 WeakPolarHBondContact O-CB 3.31Å; V246-I249 PolarHBondContact O-N 3.48Å; A247-I249 VanDerWaalsContact C-N 3.28Å; A247-I249 PolarHBondContact O-N 3.39Å; I249-N251 VanDerWaalsContact C-N 3.29Å; I249-N251 PolarHBondContact O-N 3.36Å; I249-S252 WeakPolarHBondContact CA-OG 3.42Å; I249-S252 WeakPolarHBondContact O-CA 3.49Å; I249-S252 PolarHBondContact O-N 2.79Å; I249-S252 PolarHBondContact O-OG 2.93Å; I249-L253 PolarHBondContact O-N 3.07Å; I249-L253 VanDerWaalsContact O-N 3.07Å
250E65.3Low66Low139 Ų13999.5 Ų99.565%0.6552%0.517SS*.Hα-helixtrans-57.7-42.1179.9-166.4167.3-166.600111.7V246 A247 S252V246-E250 PolarHBondContact O-N 2.98Å; A247-E250 PolarHBondContact O-N 3.38Å; E250-S252 VanDerWaalsContact C-N 3.27Å; E250-S252 PolarHBondContact O-N 3.09Å
251N66.3Low64.5Low138 Ų138102.5 Ų102.574%0.73854%0.537SS*.THydrogen-bonded Turntrans-71.9-15175.1-70.4-37000114.5A247 I249A247-N251 WeakPolarHBondContact O-CB 3.44Å; A247-N251 PolarHBondContact O-N 3Å; A247-N251 PolarHBondContact O-ND2 3.33Å; A247-N251 VanDerWaalsContact O-ND2 3.09Å; I249-N251 VanDerWaalsContact C-N 3.29Å; I249-N251 PolarHBondContact O-N 3.36Å
252S64.4Low63.2Low71 Ų7199.2 Ų99.250%0.49754%0.536SS..THydrogen-bonded Turntrans-100.1-12.7-179.570.10000114.2D248 I249 E250D248-S252 VanDerWaalsContact O-CB 3.31Å; D248-S252 WeakPolarHBondContact O-CB 3.31Å; D248-S252 PolarHBondContact O-N 3.06Å; D248-S252 PolarHBondContact O-OG 3.16Å; I249-S252 WeakPolarHBondContact CA-OG 3.42Å; I249-S252 WeakPolarHBondContact O-CA 3.49Å; I249-S252 PolarHBondContact O-N 2.79Å; I249-S252 PolarHBondContact O-OG 2.93Å; E250-S252 VanDerWaalsContact C-N 3.27Å; E250-S252 PolarHBondContact O-N 3.09Å
253L66.4Low62Low110 Ų11094.8 Ų94.858%0.57654%0.535SS*.SBendtrans-66.4135171-71.1168000108.2I249 T255I249-L253 PolarHBondContact O-N 3.07Å; I249-L253 VanDerWaalsContact O-N 3.07Å; L253-T255 PolarHBondContact O-N 3.11Å
254P59.8Low60.5Low117 Ų117102.7 Ų102.776%0.7657%0.571SS**  trans-59.2114169.923.7-29.3000107.3C256P254-C256 PolarHBondContact O-N 2.97Å; P254-C256 VanDerWaalsContact O-N 3.11Å
255T63.8Low59.5Low121 Ų121109.7 Ų109.774%0.74260%0.599SS**  trans-57.5118.4162.451.40000105.3L253 R257L253-T255 PolarHBondContact O-N 3.11Å; T255-R257 PolarHBondContact O-N 2.73Å
256C60.3Low58.3Low121 Ų121117.7 Ų117.782%0.81864%0.636SS**  trans-56.995.5162.3-70.80000105.6P254 D258P254-C256 PolarHBondContact O-N 2.97Å; P254-C256 VanDerWaalsContact O-N 3.11Å; C256-D258 PolarHBondContact O-N 3.23Å
257R56.3Low57.4Low190 Ų190120 Ų12072%0.71766%0.659SS**  trans-80.6101.8171.8-167.6172.8-177.4161.63.5103.8T255 D259T255-R257 PolarHBondContact O-N 2.73Å; R257-D259 HydrophobicContact CG-CB 4.14Å; R257-D259 WeakPolarHBondContact CG-OD2 3.43Å; R257-D259 IonicContact CZ-OD2 3.64Å; R257-D259 IonicContact NE-OD2 2.81Å; R257-D259 PolarHBondContact NE-OD2 3.21Å; R257-D259 IonicContact NH2-OD2 3.36Å; R257-D259 PolarHBondContact O-N 2.9Å
258D55.7Low56.6Low127 Ų127123.3 Ų123.368%0.67968%0.676SS**G310 helixtrans-60.23.2179.4-76.7-36.1000113.9C256 Q260C256-D258 PolarHBondContact O-N 3.23Å; D258-Q260 PolarHBondContact O-N 2.81Å
259D54.8Low55.6Low101 Ų101128.5 Ų128.554%0.5470%0.697SS.*G310 helixtrans-75-0.7-179.6-59.7-22.1000114.1R257R257-D259 HydrophobicContact CG-CB 4.14Å; R257-D259 WeakPolarHBondContact CG-OD2 3.43Å; R257-D259 IonicContact CZ-OD2 3.64Å; R257-D259 IonicContact NE-OD2 2.81Å; R257-D259 PolarHBondContact NE-OD2 3.21Å; R257-D259 IonicContact NH2-OD2 3.36Å; R257-D259 PolarHBondContact O-N 2.9Å
260Q51.8Low54.9Low167 Ų167129.9 Ų129.978%0.7871%0.713SS**G310 helixtrans-108.7-4.6177.4-68.7-145.2-38.200115.7D258D258-Q260 PolarHBondContact O-N 2.81Å
261V52.6Low54.1Low107 Ų107129.2 Ų129.265%0.64872%0.723SS**THydrogen-bonded Turntrans-86.2-23.9176.6-178.90000112.2
262T50.3Low53.1Low115 Ų115128.9 Ų128.971%0.70672%0.72SS**SBendtrans-82.6-17.1179.541.80000114.5
263A52Low52.4Low79 Ų79133.8 Ų133.865%0.65373%0.733SS**SBendtrans-81-16-178.300000114.1
264E47.5Very low51.4Low169 Ų169134.4 Ų134.479%0.7975%0.746SS**SBendtrans-96.7-5.9-172.6-143.9144.8-155.400113.5
265F51.2Low51.1Low186 Ų186133.9 Ų133.982%0.81674%0.743SS**SBendtrans-97.2-9.6176.4-97.2-83.3000115.2A267F265-A267 VanDerWaalsContact C-N 3.27Å; F265-A267 PolarHBondContact O-N 3.21Å
266E44.7Very low50.4Low180 Ų180141.1 Ų141.184%0.84177%0.768SS**  trans-9167.5167.6-76.7-178.116600109.7
267A46.2Very low49.9Very low82 Ų82142.2 Ų142.268%0.67877%0.766SS**  trans-68140.9163.300000109.2F265 E269F265-A267 VanDerWaalsContact C-N 3.27Å; F265-A267 PolarHBondContact O-N 3.21Å; A267-E269 PolarHBondContact O-N 3.46Å
268P48Very low49.5Very low121 Ų121139.6 Ų139.679%0.78677%0.768SS**  trans-76.3129.5-158.3-5.521.9000111.2S270P268-S270 PolarHBondContact O-N 2.94Å
269E46.8Very low49.2Very low196 Ų196140.3 Ų140.392%0.91677%0.773SS**  trans-57.6106.3158.5-86.6-175.4156.400108.1A267 S271A267-E269 PolarHBondContact O-N 3.46Å; E269-S271 PolarHBondContact O-N 2.88Å; E269-S271 VanDerWaalsContact O-N 3.11Å
270S49.7Very low48.9Very low91 Ų91142.6 Ų142.664%0.63679%0.787SS**  trans-53.7114.9174.452.30000109.6P268 I272P268-S270 PolarHBondContact O-N 2.94Å; S270-I272 VanDerWaalsContact C-N 3.34Å; S270-I272 PolarHBondContact O-N 3.11Å
271S48.3Very low48.7Very low125 Ų125141.1 Ų141.187%0.87479%0.788SS**  trans-58.795.1168.355.40000109.7E269E269-S271 PolarHBondContact O-N 2.88Å; E269-S271 VanDerWaalsContact O-N 3.11Å
272I45.6Very low48.4Very low131 Ų131143.4 Ų143.467%0.67280%0.797SS**  trans-82.5140.5165.2-77.4169000107.5S270S270-I272 VanDerWaalsContact C-N 3.34Å; S270-I272 PolarHBondContact O-N 3.11Å
273F48Very low48.3Very low174 Ų174145.4 Ų145.476%0.76380%0.803SS**  trans87.3103.5169-96.5-84.6000119.3P275F273-P275 HydrophobicContact CD1-CG 4.11Å; F273-P275 HydrophobicContact CE1-CG 4.27Å
274S46.4Very low48Very low122 Ų122150.5 Ų150.585%0.85382%0.815SS**  trans-143.7108.5139.4-54.30000107.8
275P52.3Low48Very low106 Ų106149 Ų14969%0.68882%0.817SS**  trans-85154.7176.529.6-19.3000111.1F273F273-P275 HydrophobicContact CD1-CG 4.11Å; F273-P275 HydrophobicContact CE1-CG 4.27Å
276Q49.2Very low47.7Very low274 Ų274145.6 Ų145.6100%1.2882%0.817SS**  trans-550-176.4-64.9-171.5-32.500115

Retrieved 276 of 276 residues in 59.1 ms (Link to these results)

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