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Mediator of RNA polymerase II transcription subunit 10

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession G4VPE5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene MED10, Length 161 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.4Low85.8Confident210 Ų210101.9 Ų101.9100%1.03449%0.492SS*.  0-47.70-81.5-178.6168.100110.6D3 R4M1-D3 VanDerWaalsContact C-N 3.27Å; M1-D3 PolarHBondContact O-N 3.15Å; M1-R4 PolarHBondContact O-N 3.29Å
2V67.8Low86.7Confident120 Ų120103.8 Ų103.873%0.72750%0.499SS*.Hα-helixtrans-54.5-41.2174-176.20000112.5R4 N5V2-R4 VanDerWaalsContact C-N 3.33Å; V2-R4 PolarHBondContact O-N 3.26Å; V2-N5 PolarHBondContact O-N 3.39Å
3D73.4Confident87.4Confident96 Ų9699.5 Ų99.551%0.51348%0.48SS..Hα-helixtrans-65-33.1-176.8-50.6-52.1000114.1M1 R6 F7M1-D3 VanDerWaalsContact C-N 3.27Å; M1-D3 PolarHBondContact O-N 3.15Å; D3-R6 WeakPolarHBondContact O-CG 3.49Å; D3-F7 WeakPolarHBondContact O-CD2 3.47Å
4R83.6Confident88Confident188 Ų18897.6 Ų97.671%0.70947%0.473SS*.Hα-helixtrans-71-40.2179.7-73.6-171177.9176.8-2.7111.2M1 V2 R6 F7 E8M1-R4 PolarHBondContact O-N 3.29Å; V2-R4 VanDerWaalsContact C-N 3.33Å; V2-R4 PolarHBondContact O-N 3.26Å; R4-R6 VanDerWaalsContact C-N 3.32Å; R4-R6 PolarHBondContact O-N 3.41Å; R4-F7 PolarHBondContact O-N 3.13Å; R4-F7 VanDerWaalsContact O-N 3.1Å; R4-E8 WeakPolarHBondContact O-CG 3.46Å; R4-E8 PolarHBondContact O-N 3.38Å
5N91.3Very high88.7Confident89 Ų8998.3 Ų98.348%0.47648%0.475SS..Hα-helixtrans-58.8-41.7-177.9-170.754.1000112.3V2 F7 E8 I9V2-N5 PolarHBondContact O-N 3.39Å; N5-F7 VanDerWaalsContact C-N 3.35Å; N5-F7 PolarHBondContact O-N 3.45Å; N5-E8 PolarHBondContact O-N 2.97Å; N5-I9 WeakPolarHBondContact O-CD1 3.36Å; N5-I9 WeakPolarHBondContact O-CG1 3.49Å; N5-I9 PolarHBondContact O-N 3.12Å
6R93Very high89.2Confident31 Ų3195 Ų9512%0.11747%0.465CS..Hα-helixtrans-67-33.3178.562.1167.7-174.5148.9-10.8113.3D3 R4 L10 E57 M58 D60D3-R6 WeakPolarHBondContact O-CG 3.49Å; R4-R6 VanDerWaalsContact C-N 3.32Å; R4-R6 PolarHBondContact O-N 3.41Å; R6-L10 WeakPolarHBondContact O-CB 3.5Å; R6-L10 PolarHBondContact O-N 3.34Å; R6-L10 VanDerWaalsContact O-N 3.14Å; R6-E57 PolarHBondContact NH1-O 2.69Å; R6-M58 HydrophobicContact CB-CE 3.56Å; R6-M58 HydrophobicContact CG-CE 3.65Å; R6-M58 WeakPolarHBondContact O-CE 3.36Å; R6-D60 IonicContact CZ-OD1 3.49Å; R6-D60 IonicContact CZ-OD2 3.97Å; R6-D60 IonicContact NH1-OD1 3.47Å; R6-D60 PolarHBondContact NH1-OD1 3.08Å; R6-D60 IonicContact NH1-OD2 2.9Å; R6-D60 PolarHBondContact NH1-OD2 3.18Å; R6-D60 IonicContact NH2-OD1 2.73Å; R6-D60 PolarHBondContact NH2-OD1 3.02Å; R6-D60 IonicContact NH2-OD2 3.06Å; R6-D60 PolarHBondContact NH2-OD2 2.92Å
7F94.6Very high89.7Confident85 Ų8590.8 Ų90.837%0.37345%0.445SS..Hα-helixtrans-75.2-39.3175.4-69.9-62.9000111.4D3 R4 N5 L10 E11 M58 V61D3-F7 WeakPolarHBondContact O-CD2 3.47Å; R4-F7 PolarHBondContact O-N 3.13Å; R4-F7 VanDerWaalsContact O-N 3.1Å; N5-F7 VanDerWaalsContact C-N 3.35Å; N5-F7 PolarHBondContact O-N 3.45Å; F7-L10 PolarHBondContact O-N 3.4Å; F7-E11 WeakPolarHBondContact O-CB 3.42Å; F7-E11 PolarHBondContact O-N 3.49Å; F7-M58 HydrophobicContact CD1-CE 4.44Å; F7-M58 HydrophobicContact CD1-SD 3.88Å; F7-M58 HydrophobicContact CE1-SD 3.58Å; F7-M58 VanDerWaalsContact CE1-SD 3.58Å; F7-M58 HydrophobicContact CZ-SD 4.33Å; F7-V61 HydrophobicContact CE1-CG1 4.45Å; F7-V61 HydrophobicContact CE1-CG2 3.87Å; F7-V61 HydrophobicContact CZ-CG1 4.49Å; F7-V61 HydrophobicContact CZ-CG2 3.57Å
8E94.9Very high90.1Very high94 Ų9491.7 Ų91.744%0.43945%0.45SS..Hα-helixtrans-59.5-46.8173.9-71.5164-169.200110.4R4 N5 L10 E11 E12R4-E8 WeakPolarHBondContact O-CG 3.46Å; R4-E8 PolarHBondContact O-N 3.38Å; N5-E8 PolarHBondContact O-N 2.97Å; E8-L10 VanDerWaalsContact C-N 3.32Å; E8-L10 PolarHBondContact O-N 3.19Å; E8-E11 PolarHBondContact O-N 3.48Å; E8-E12 WeakPolarHBondContact O-CG 3.46Å; E8-E12 PolarHBondContact O-N 2.93Å
9I94.2Very high90.4Very high57 Ų5791.1 Ų91.129%0.29245%0.45SS..Hα-helixtrans-61.9-40.3175.9-62.5161.8000111N5 N13 M54N5-I9 WeakPolarHBondContact O-CD1 3.36Å; N5-I9 WeakPolarHBondContact O-CG1 3.49Å; N5-I9 PolarHBondContact O-N 3.12Å; I9-N13 PolarHBondContact O-N 2.97Å; I9-N13 VanDerWaalsContact O-N 3.08Å; I9-N13 PolarHBondContact O-ND2 2.82Å; I9-M54 HydrophobicContact CB-CE 4.03Å; I9-M54 HydrophobicContact CG2-CE 3.53Å; I9-M54 HydrophobicContact CG2-SD 4.37Å
10L95.3Very high90.7Very high36 Ų3687.4 Ų87.419%0.18843%0.431CS..Hα-helixtrans-66.5-42.7179.218062.2000111.1R6 F7 E8 N13 I14 V51 M54 M58R6-L10 WeakPolarHBondContact O-CB 3.5Å; R6-L10 PolarHBondContact O-N 3.34Å; R6-L10 VanDerWaalsContact O-N 3.14Å; F7-L10 PolarHBondContact O-N 3.4Å; E8-L10 VanDerWaalsContact C-N 3.32Å; E8-L10 PolarHBondContact O-N 3.19Å; L10-N13 PolarHBondContact O-N 3.46Å; L10-I14 HydrophobicContact CD1-CD1 4.15Å; L10-I14 HydrophobicContact CD1-CG1 4.45Å; L10-I14 HydrophobicContact CG-CD1 3.96Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.35Å; L10-I14 PolarHBondContact O-N 2.85Å; L10-V51 HydrophobicContact CD1-CG1 4.28Å; L10-M54 HydrophobicContact CB-CE 3.83Å; L10-M54 HydrophobicContact CD1-CB 4.42Å; L10-M54 HydrophobicContact CD1-CE 4.19Å; L10-M54 HydrophobicContact CD1-SD 4.16Å; L10-M58 HydrophobicContact CD2-CG 4.08Å; L10-M58 HydrophobicContact CD2-SD 4.14Å
11E95.3Very high90.9Very high115 Ų11586.1 Ų86.154%0.53743%0.43SS..Hα-helixtrans-59.7-50.3175.4-176.6172-159.700110.9F7 E8 N13 I14 E15F7-E11 WeakPolarHBondContact O-CB 3.42Å; F7-E11 PolarHBondContact O-N 3.49Å; E8-E11 PolarHBondContact O-N 3.48Å; E11-N13 VanDerWaalsContact C-N 3.29Å; E11-N13 PolarHBondContact O-N 3.38Å; E11-I14 PolarHBondContact O-N 3Å; E11-I14 VanDerWaalsContact O-N 3.1Å; E11-E15 WeakPolarHBondContact O-CG 3.33Å; E11-E15 PolarHBondContact O-N 2.66Å
12E96.2Very high92.5Very high125 Ų12582.8 Ų82.858%0.58441%0.406SS*.Hα-helixtrans-56.8-40.8176.7-74.1177.8-179.200112.4E8 S16E8-E12 WeakPolarHBondContact O-CG 3.46Å; E8-E12 PolarHBondContact O-N 2.93Å; E12-S16 VanDerWaalsContact O-CB 3.3Å; E12-S16 WeakPolarHBondContact O-CB 3.25Å; E12-S16 PolarHBondContact O-N 3.45Å
13N95.8Very high93.7Very high47 Ų4781.2 Ų81.225%0.25139%0.391SS..Hα-helixtrans-67.9-40.9176.8-82.1-77.3000112.2I9 L10 E11 S16 I17 V51 M54I9-N13 PolarHBondContact O-N 2.97Å; I9-N13 VanDerWaalsContact O-N 3.08Å; I9-N13 PolarHBondContact O-ND2 2.82Å; L10-N13 PolarHBondContact O-N 3.46Å; E11-N13 VanDerWaalsContact C-N 3.29Å; E11-N13 PolarHBondContact O-N 3.38Å; N13-S16 PolarHBondContact O-N 2.66Å; N13-I17 WeakPolarHBondContact O-CG1 3.31Å; N13-I17 PolarHBondContact O-N 3.47Å; N13-V51 HydrophobicContact CB-CG2 3.93Å; N13-M54 HydrophobicContact CB-SD 4.28Å
14I97Very high94.5Very high74 Ų7477.4 Ų77.438%0.37937%0.372SS..Hα-helixtrans-65.2-46176.6-70169000110.6L10 E11 S16 I17 I18L10-I14 HydrophobicContact CD1-CD1 4.15Å; L10-I14 HydrophobicContact CD1-CG1 4.45Å; L10-I14 HydrophobicContact CG-CD1 3.96Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.35Å; L10-I14 PolarHBondContact O-N 2.85Å; E11-I14 PolarHBondContact O-N 3Å; E11-I14 VanDerWaalsContact O-N 3.1Å; I14-S16 VanDerWaalsContact C-N 3.3Å; I14-S16 PolarHBondContact O-N 2.71Å; I14-I17 WeakPolarHBondContact O-CB 3.36Å; I14-I17 PolarHBondContact O-N 3.3Å; I14-I17 VanDerWaalsContact O-N 3.13Å; I14-I18 HydrophobicContact CG2-CD1 3.92Å; I14-I18 WeakPolarHBondContact O-CG1 3.38Å; I14-I18 PolarHBondContact O-N 3.39Å
15E97.3Very high94.9Very high108 Ų10870.1 Ų70.151%0.50536%0.356SS..Hα-helixtrans-57.8-44.7174.7-72.7-172157.300111E11 I17 I18 D19E11-E15 WeakPolarHBondContact O-CG 3.33Å; E11-E15 PolarHBondContact O-N 2.66Å; E15-I17 VanDerWaalsContact C-N 3.28Å; E15-I17 PolarHBondContact O-N 2.71Å; E15-I18 PolarHBondContact O-N 3.43Å; E15-I18 VanDerWaalsContact O-N 3.12Å; E15-D19 PolarHBondContact O-N 3.14Å
16S96.6Very high94.9Very high45 Ų4569.7 Ų69.732%0.31535%0.352SS..Hα-helixtrans-61-34.4176.7-164.10000113.1E12 N13 I14 H20 K47E12-S16 VanDerWaalsContact O-CB 3.3Å; E12-S16 WeakPolarHBondContact O-CB 3.25Å; E12-S16 PolarHBondContact O-N 3.45Å; N13-S16 PolarHBondContact O-N 2.66Å; I14-S16 VanDerWaalsContact C-N 3.3Å; I14-S16 PolarHBondContact O-N 2.71Å; S16-H20 VanDerWaalsContact O-CB 3.23Å; S16-H20 WeakPolarHBondContact O-CB 3.37Å; S16-H20 PolarHBondContact O-N 2.89Å; S16-K47 PolarHBondContact OG-NZ 3.46Å
17I97.6Very high94.6Very high24 Ų2468.7 Ų68.712%0.12335%0.35CS..Hα-helixtrans-69.3-44.6173.6-71.6165.3000110.9N13 I14 E15 D19 H20 C21 L44 K47 L48 V51N13-I17 WeakPolarHBondContact O-CG1 3.31Å; N13-I17 PolarHBondContact O-N 3.47Å; I14-I17 WeakPolarHBondContact O-CB 3.36Å; I14-I17 PolarHBondContact O-N 3.3Å; I14-I17 VanDerWaalsContact O-N 3.13Å; E15-I17 VanDerWaalsContact C-N 3.28Å; E15-I17 PolarHBondContact O-N 2.71Å; I17-D19 VanDerWaalsContact C-N 3.34Å; I17-D19 PolarHBondContact O-N 3.04Å; I17-H20 PolarHBondContact O-N 3.33Å; I17-C21 WeakPolarHBondContact O-CB 3.32Å; I17-C21 PolarHBondContact O-N 2.62Å; I17-C21 PolarHBondContact O-SG 3.38Å; I17-C21 VanDerWaalsContact O-SG 3.36Å; I17-L44 HydrophobicContact CG2-CD1 4Å; I17-K47 HydrophobicContact CD1-CB 4.23Å; I17-K47 HydrophobicContact CG1-CB 3.68Å; I17-K47 HydrophobicContact CG1-CD 4.32Å; I17-L48 HydrophobicContact CD1-CD2 4.24Å; I17-V51 HydrophobicContact CD1-CB 4.36Å; I17-V51 HydrophobicContact CD1-CG2 3.48Å; I17-V51 VanDerWaalsContact CD1-CG2 3.48Å
18I97.3Very high94.3Very high106 Ų10668.9 Ų68.954%0.54436%0.358SS..Hα-helixtrans-59.4-47.3178.9-67.6165.9000110.1I14 E15 C21 R22I14-I18 HydrophobicContact CG2-CD1 3.92Å; I14-I18 WeakPolarHBondContact O-CG1 3.38Å; I14-I18 PolarHBondContact O-N 3.39Å; E15-I18 PolarHBondContact O-N 3.43Å; E15-I18 VanDerWaalsContact O-N 3.12Å; I18-C21 PolarHBondContact O-N 3.4Å; I18-R22 WeakPolarHBondContact O-CB 3.46Å; I18-R22 PolarHBondContact O-N 3.04Å
19D96.4Very high94.2Very high81 Ų8170.1 Ų70.143%0.43338%0.375SS..Hα-helixtrans-63.8-42.3177-90.1-31.9000112.5E15 I17 C21 R22 E23E15-D19 PolarHBondContact O-N 3.14Å; I17-D19 VanDerWaalsContact C-N 3.34Å; I17-D19 PolarHBondContact O-N 3.04Å; D19-C21 VanDerWaalsContact C-N 3.34Å; D19-C21 PolarHBondContact O-N 2.91Å; D19-R22 WeakPolarHBondContact O-CB 3.42Å; D19-R22 PolarHBondContact O-N 3.43Å; D19-R22 IonicContact OD1-NE 2.85Å; D19-E23 WeakPolarHBondContact O-CG 3.35Å; D19-E23 PolarHBondContact O-N 3.44Å
20H95.4Very high93.9Very high17 Ų1772.3 Ų72.38%0.07939%0.388CS..Hα-helixtrans-62.2-41.6177.1-171.987.1000112.2S16 I17 E23 A24 K40 L44 K47S16-H20 VanDerWaalsContact O-CB 3.23Å; S16-H20 WeakPolarHBondContact O-CB 3.37Å; S16-H20 PolarHBondContact O-N 2.89Å; I17-H20 PolarHBondContact O-N 3.33Å; H20-E23 PolarHBondContact O-N 3.25Å; H20-A24 WeakPolarHBondContact O-CB 3.45Å; H20-A24 PolarHBondContact O-N 3.16Å; H20-K40 PolarHBondContact NE2-O 3.5Å; H20-L44 PolarHBondContact NE2-N 2.9Å; H20-K47 HydrophobicContact CB-CD 4.11Å
21C95.2Very high93.3Very high60 Ų6078.9 Ų78.941%0.40541%0.411SS..Hα-helixtrans-62.6-42173.3-75.90000111.8I17 I18 D19 A24 G25I17-C21 WeakPolarHBondContact O-CB 3.32Å; I17-C21 PolarHBondContact O-N 2.62Å; I17-C21 PolarHBondContact O-SG 3.38Å; I17-C21 VanDerWaalsContact O-SG 3.36Å; I18-C21 PolarHBondContact O-N 3.4Å; D19-C21 VanDerWaalsContact C-N 3.34Å; D19-C21 PolarHBondContact O-N 2.91Å; C21-A24 PolarHBondContact O-N 2.91Å; C21-G25 PolarHBondContact O-N 2.97Å
22R94.9Very high92.5Very high140 Ų14077.1 Ų77.153%0.52840%0.403SS..Hα-helixtrans-61.2-48.7176-173.7-174.369.179.43.6111.4I18 D19 A24 G25 I26I18-R22 WeakPolarHBondContact O-CB 3.46Å; I18-R22 PolarHBondContact O-N 3.04Å; D19-R22 WeakPolarHBondContact O-CB 3.42Å; D19-R22 PolarHBondContact O-N 3.43Å; D19-R22 IonicContact OD1-NE 2.85Å; R22-A24 PolarHBondContact O-N 3.37Å; R22-G25 PolarHBondContact O-N 3.34Å; R22-I26 HydrophobicContact CG-CD1 4.44Å; R22-I26 WeakPolarHBondContact O-CG1 3.5Å; R22-I26 PolarHBondContact O-N 2.96Å
23E91.8Very high91.7Very high88 Ų8876.4 Ų76.441%0.41141%0.409SS..Hα-helixtrans-62.3-41.9176.8-72.3-175.6-172.300112.6D19 H20 G25 I26 V27 K40D19-E23 WeakPolarHBondContact O-CG 3.35Å; D19-E23 PolarHBondContact O-N 3.44Å; H20-E23 PolarHBondContact O-N 3.25Å; E23-G25 VanDerWaalsContact C-N 3.3Å; E23-G25 PolarHBondContact O-N 3.08Å; E23-I26 PolarHBondContact O-N 3.01Å; E23-V27 WeakPolarHBondContact O-CG2 3.14Å; E23-V27 PolarHBondContact O-N 3.43Å; E23-K40 IonicContact OE2-NZ 2.71Å; E23-K40 PolarHBondContact OE2-NZ 3.05Å
24A90.8Very high91Very high15 Ų1579.3 Ų79.312%0.12443%0.433CS..Hα-helixtrans-60.9-42.1175.600000111H20 C21 R22 I26 V27 V28 K40H20-A24 WeakPolarHBondContact O-CB 3.45Å; H20-A24 PolarHBondContact O-N 3.16Å; C21-A24 PolarHBondContact O-N 2.91Å; R22-A24 PolarHBondContact O-N 3.37Å; A24-I26 PolarHBondContact O-N 2.94Å; A24-V27 PolarHBondContact O-N 3.35Å; A24-V28 WeakPolarHBondContact O-CG2 3.44Å; A24-V28 PolarHBondContact O-N 2.65Å; A24-K40 HydrophobicContact CB-CD 4.31Å
25G91.4Very high90.1Very high35 Ų3577.7 Ų77.736%0.36143%0.427SS..Hα-helixtrans-58.9-43.3173.300000112.8C21 R22 E23 V28 C29C21-G25 PolarHBondContact O-N 2.97Å; R22-G25 PolarHBondContact O-N 3.34Å; E23-G25 VanDerWaalsContact C-N 3.3Å; E23-G25 PolarHBondContact O-N 3.08Å; G25-V28 PolarHBondContact O-N 2.77Å; G25-C29 WeakPolarHBondContact O-CB 3.44Å; G25-C29 PolarHBondContact O-N 3.48Å; G25-C29 PolarHBondContact O-SG 2.86Å; G25-C29 VanDerWaalsContact O-SG 3.34Å
26I91.3Very high89.5Confident80 Ų8075.7 Ų75.741%0.4143%0.425SS..Hα-helixtrans-61.7-46.9176.1-66.8165.4000111R22 E23 A24 V28 C29 D30R22-I26 HydrophobicContact CG-CD1 4.44Å; R22-I26 WeakPolarHBondContact O-CG1 3.5Å; R22-I26 PolarHBondContact O-N 2.96Å; E23-I26 PolarHBondContact O-N 3.01Å; A24-I26 PolarHBondContact O-N 2.94Å; I26-V28 VanDerWaalsContact C-N 3.26Å; I26-V28 PolarHBondContact O-N 3.03Å; I26-C29 PolarHBondContact O-N 3.29Å; I26-D30 PolarHBondContact O-N 3.23Å
27V88.7Confident89Confident11 Ų1178.1 Ų78.17%0.06743%0.43CS..Hα-helixtrans-64.4-30.4179.9170.10000112.6E23 A24 D30 Y31 V35 K40E23-V27 WeakPolarHBondContact O-CG2 3.14Å; E23-V27 PolarHBondContact O-N 3.43Å; A24-V27 PolarHBondContact O-N 3.35Å; V27-D30 CarbonylContact O-C 3.51Å; V27-Y31 WeakPolarHBondContact O-CA 3.24Å; V27-V35 HydrophobicContact CG1-CB 4.03Å; V27-V35 HydrophobicContact CG1-CG1 3.93Å; V27-V35 HydrophobicContact CG2-CB 4.47Å; V27-V35 HydrophobicContact CG2-CG1 4.15Å; V27-V35 HydrophobicContact CG2-CG2 4.44Å; V27-K40 HydrophobicContact CG2-CD 4.3Å
28V88.1Confident88.6Confident89 Ų8982.4 Ų82.454%0.53945%0.449SS..Hα-helixtrans-75.1-40.9175172.70000111.2A24 G25 I26 F37A24-V28 WeakPolarHBondContact O-CG2 3.44Å; A24-V28 PolarHBondContact O-N 2.65Å; G25-V28 PolarHBondContact O-N 2.77Å; I26-V28 VanDerWaalsContact C-N 3.26Å; I26-V28 PolarHBondContact O-N 3.03Å; V28-F37 HydrophobicContact CG2-CD2 3.87Å; V28-F37 HydrophobicContact CG2-CE2 3.33Å; V28-F37 HydrophobicContact CG2-CZ 3.87Å
29C90.9Very high88.3Confident119 Ų11983.5 Ų83.580%0.80445%0.45SS*.Hα-helixtrans-72.6-37.3178.9-70.70000113.1G25 I26G25-C29 WeakPolarHBondContact O-CB 3.44Å; G25-C29 PolarHBondContact O-N 3.48Å; G25-C29 PolarHBondContact O-SG 2.86Å; G25-C29 VanDerWaalsContact O-SG 3.34Å; I26-C29 PolarHBondContact O-N 3.29Å
30D89Confident88Confident104 Ų10481 Ų8156%0.55644%0.435SS*.THydrogen-bonded Turntrans-119.687176.1-176.828.5000108.3I26 V27 Q32I26-D30 PolarHBondContact O-N 3.23Å; V27-D30 CarbonylContact O-C 3.51Å; D30-Q32 WeakPolarHBondContact O-CG 3.3Å; D30-Q32 PolarHBondContact O-N 3.03Å
31Y82.8Confident87.8Confident174 Ų17483.3 Ų83.368%0.68245%0.448SS*.THydrogen-bonded Turntrans-58.3114.6-172.6178.8-102.7000111.4V27 P33V27-Y31 WeakPolarHBondContact O-CA 3.24Å; Y31-P33 HydrophobicContact CD1-CG 4.17Å; Y31-P33 HydrophobicContact CE1-CB 4.12Å; Y31-P33 HydrophobicContact CE1-CG 3.83Å; Y31-P33 WeakPolarHBondContact O-CD 3.48Å
32Q79.2Confident87.8Confident78 Ų7883.6 Ų83.636%0.36445%0.445SS..  trans-104.1107.7176-70.2-179.64.700109.9D30 S34 V35D30-Q32 WeakPolarHBondContact O-CG 3.3Å; D30-Q32 PolarHBondContact O-N 3.03Å; Q32-S34 PolarHBondContact O-N 3.43Å; Q32-S34 VanDerWaalsContact O-N 3.07Å; Q32-V35 HydrophobicContact CB-CB 4.31Å; Q32-V35 HydrophobicContact CB-CG2 3.89Å; Q32-V35 PolarHBondContact O-N 3.46Å
33P77.7Confident87.8Confident109 Ų10979.8 Ų79.871%0.70844%0.435SS*.THydrogen-bonded Turntrans-60.5-23-177.5-20.329.4000113.9Y31 V35Y31-P33 HydrophobicContact CD1-CG 4.17Å; Y31-P33 HydrophobicContact CE1-CB 4.12Å; Y31-P33 HydrophobicContact CE1-CG 3.83Å; Y31-P33 WeakPolarHBondContact O-CD 3.48Å; P33-V35 VanDerWaalsContact C-N 3.31Å
34S81.6Confident88Confident109 Ų10977.7 Ų77.776%0.76243%0.427SS*.THydrogen-bonded Turntrans-74.6-18.4177.952.60000113.6Q32Q32-S34 PolarHBondContact O-N 3.43Å; Q32-S34 VanDerWaalsContact O-N 3.07Å
35V79Confident88.3Confident39 Ų3980.1 Ų80.124%0.23644%0.44CS..SBendtrans-100.2116.6-175.4-176.30000109.6V27 Q32 P33 F37 K40V27-V35 HydrophobicContact CG1-CB 4.03Å; V27-V35 HydrophobicContact CG1-CG1 3.93Å; V27-V35 HydrophobicContact CG2-CB 4.47Å; V27-V35 HydrophobicContact CG2-CG1 4.15Å; V27-V35 HydrophobicContact CG2-CG2 4.44Å; Q32-V35 HydrophobicContact CB-CB 4.31Å; Q32-V35 HydrophobicContact CB-CG2 3.89Å; Q32-V35 PolarHBondContact O-N 3.46Å; P33-V35 VanDerWaalsContact C-N 3.31Å; V35-F37 PolarHBondContact O-N 2.81Å; V35-K40 HydrophobicContact CG1-CD 3.96Å; V35-K40 HydrophobicContact CG1-CG 4.3Å
36S85Confident88.5Confident67 Ų6785 Ų8547%0.46945%0.448SS..  trans-74.499.2173.4520000110.1Q38 K39 K40S36-Q38 PolarHBondContact O-N 3.34Å; S36-K39 WeakPolarHBondContact O-CA 3.43Å; S36-K39 VanDerWaalsContact O-CB 3.3Å; S36-K39 WeakPolarHBondContact O-CB 3.45Å; S36-K39 PolarHBondContact O-N 3.19Å; S36-K39 WeakPolarHBondContact OG-CB 3.34Å; S36-K40 PolarHBondContact O-N 3.39Å
37F85.4Confident88.7Confident95 Ų9583.8 Ų83.842%0.41744%0.44SS..Hα-helixtrans-53.5-37.3176.3-178.9-114.6000112.6V28 V35 K39 K40 I41V28-F37 HydrophobicContact CG2-CD2 3.87Å; V28-F37 HydrophobicContact CG2-CE2 3.33Å; V28-F37 HydrophobicContact CG2-CZ 3.87Å; V35-F37 PolarHBondContact O-N 2.81Å; F37-K39 VanDerWaalsContact C-N 3.27Å; F37-K39 PolarHBondContact O-N 3.12Å; F37-K40 WeakPolarHBondContact O-CB 3.45Å; F37-K40 PolarHBondContact O-N 2.88Å; F37-K40 VanDerWaalsContact O-N 3.09Å; F37-I41 HydrophobicContact CD1-CD1 3.75Å; F37-I41 HydrophobicContact CD1-CG1 4.41Å; F37-I41 HydrophobicContact CE1-CD1 3.31Å; F37-I41 HydrophobicContact CE1-CG1 4.02Å; F37-I41 HydrophobicContact CE2-CG1 4.43Å; F37-I41 HydrophobicContact CZ-CD1 3.77Å; F37-I41 HydrophobicContact CZ-CG1 4.02Å; F37-I41 PolarHBondContact O-N 3.34Å
38Q88Confident89.2Confident115 Ų11587.7 Ų87.754%0.53746%0.46SS..Hα-helixtrans-57.1-39.8173-176.760.34500112.8S36 I41 N42S36-Q38 PolarHBondContact O-N 3.34Å; Q38-I41 PolarHBondContact O-N 3.17Å; Q38-N42 PolarHBondContact NE2-OD1 3.39Å; Q38-N42 VanDerWaalsContact O-CG 3.26Å; Q38-N42 PolarHBondContact O-N 2.91Å; Q38-N42 PolarHBondContact O-ND2 3.32Å
39K90.8Very high89.6Confident129 Ų12987.5 Ų87.556%0.56145%0.453SS*.Hα-helixtrans-65.8-43.6176.3-174-177174.5-175.10110.1S36 F37 I41 N42 D43S36-K39 WeakPolarHBondContact O-CA 3.43Å; S36-K39 VanDerWaalsContact O-CB 3.3Å; S36-K39 WeakPolarHBondContact O-CB 3.45Å; S36-K39 PolarHBondContact O-N 3.19Å; S36-K39 WeakPolarHBondContact OG-CB 3.34Å; F37-K39 VanDerWaalsContact C-N 3.27Å; F37-K39 PolarHBondContact O-N 3.12Å; K39-I41 VanDerWaalsContact C-N 3.32Å; K39-I41 PolarHBondContact O-N 2.91Å; K39-N42 PolarHBondContact O-N 2.92Å; K39-N42 VanDerWaalsContact O-N 3.16Å; K39-D43 WeakPolarHBondContact O-CB 3.47Å; K39-D43 PolarHBondContact O-N 2.9Å
40K90.7Very high89.8Confident27 Ų2785 Ų8512%0.11743%0.432CS..Hα-helixtrans-58.9-40.3174.3-77.5-167.8166.9-71.50112.4H20 E23 A24 V27 V35 S36 F37 L44H20-K40 PolarHBondContact NE2-O 3.5Å; E23-K40 IonicContact OE2-NZ 2.71Å; E23-K40 PolarHBondContact OE2-NZ 3.05Å; A24-K40 HydrophobicContact CB-CD 4.31Å; V27-K40 HydrophobicContact CG2-CD 4.3Å; V35-K40 HydrophobicContact CG1-CD 3.96Å; V35-K40 HydrophobicContact CG1-CG 4.3Å; S36-K40 PolarHBondContact O-N 3.39Å; F37-K40 WeakPolarHBondContact O-CB 3.45Å; F37-K40 PolarHBondContact O-N 2.88Å; F37-K40 VanDerWaalsContact O-N 3.09Å; K40-L44 PolarHBondContact O-N 3.45Å
41I92.2Very high90.1Very high66 Ų6681.9 Ų81.934%0.33842%0.416SS..Hα-helixtrans-62.5-49174-69.5169.4000110.8F37 Q38 K39 D43 L44 V45F37-I41 HydrophobicContact CD1-CD1 3.75Å; F37-I41 HydrophobicContact CD1-CG1 4.41Å; F37-I41 HydrophobicContact CE1-CD1 3.31Å; F37-I41 HydrophobicContact CE1-CG1 4.02Å; F37-I41 HydrophobicContact CE2-CG1 4.43Å; F37-I41 HydrophobicContact CZ-CD1 3.77Å; F37-I41 HydrophobicContact CZ-CG1 4.02Å; F37-I41 PolarHBondContact O-N 3.34Å; Q38-I41 PolarHBondContact O-N 3.17Å; K39-I41 VanDerWaalsContact C-N 3.32Å; K39-I41 PolarHBondContact O-N 2.91Å; I41-D43 VanDerWaalsContact C-N 3.32Å; I41-D43 PolarHBondContact O-N 2.84Å; I41-L44 WeakPolarHBondContact O-CB 3.49Å; I41-L44 PolarHBondContact O-N 3.39Å; I41-L44 VanDerWaalsContact O-N 3.16Å; I41-V45 HydrophobicContact CG2-CG2 4.5Å; I41-V45 WeakPolarHBondContact O-CG2 3.29Å; I41-V45 PolarHBondContact O-N 2.86Å
42N94.6Very high90.7Very high67 Ų6779 Ų7936%0.35841%0.413SS..Hα-helixtrans-61.4-42.4-179.4-68.4-16.5000111.6Q38 K39 L44 V45 Y46Q38-N42 PolarHBondContact NE2-OD1 3.39Å; Q38-N42 VanDerWaalsContact O-CG 3.26Å; Q38-N42 PolarHBondContact O-N 2.91Å; Q38-N42 PolarHBondContact O-ND2 3.32Å; K39-N42 PolarHBondContact O-N 2.92Å; K39-N42 VanDerWaalsContact O-N 3.16Å; N42-L44 VanDerWaalsContact C-N 3.3Å; N42-L44 PolarHBondContact O-N 3.31Å; N42-V45 WeakPolarHBondContact O-CB 3.4Å; N42-V45 PolarHBondContact O-N 3.28Å; N42-Y46 HydrophobicContact CB-CE2 4.32Å; N42-Y46 WeakPolarHBondContact O-CD2 3.45Å; N42-Y46 PolarHBondContact O-N 3.04Å
43D94.9Very high91.4Very high59 Ų5982.9 Ų82.932%0.31642%0.424SS..Hα-helixtrans-61.3-39.1176.4-66.6-13.3000111.3K39 I41 Y46 K47K39-D43 WeakPolarHBondContact O-CB 3.47Å; K39-D43 PolarHBondContact O-N 2.9Å; I41-D43 VanDerWaalsContact C-N 3.32Å; I41-D43 PolarHBondContact O-N 2.84Å; D43-Y46 PolarHBondContact O-N 3.5Å; D43-K47 WeakPolarHBondContact O-CG 3.42Å; D43-K47 PolarHBondContact O-N 3.47Å
44L95.8Very high92.2Very high45 Ų4578.5 Ų78.524%0.23640%0.395CS..Hα-helixtrans-64.2-43174.2-179.858.4000111.6I17 H20 K40 I41 N42 Y46 K47 L48I17-L44 HydrophobicContact CG2-CD1 4Å; H20-L44 PolarHBondContact NE2-N 2.9Å; K40-L44 PolarHBondContact O-N 3.45Å; I41-L44 WeakPolarHBondContact O-CB 3.49Å; I41-L44 PolarHBondContact O-N 3.39Å; I41-L44 VanDerWaalsContact O-N 3.16Å; N42-L44 VanDerWaalsContact C-N 3.3Å; N42-L44 PolarHBondContact O-N 3.31Å; L44-Y46 VanDerWaalsContact C-N 3.33Å; L44-Y46 PolarHBondContact O-N 3.49Å; L44-K47 PolarHBondContact O-N 3.21Å; L44-L48 HydrophobicContact CD1-CD1 4.35Å; L44-L48 HydrophobicContact CD1-CG 4.33Å; L44-L48 HydrophobicContact CG-CD1 4.13Å; L44-L48 WeakPolarHBondContact O-CG 3.37Å; L44-L48 PolarHBondContact O-N 3Å
45V96.6Very high92.7Very high65 Ų6579.4 Ų79.439%0.39439%0.386SS..Hα-helixtrans-60.1-44176.71730000110.7I41 N42 L48 Q49I41-V45 HydrophobicContact CG2-CG2 4.5Å; I41-V45 WeakPolarHBondContact O-CG2 3.29Å; I41-V45 PolarHBondContact O-N 2.86Å; N42-V45 WeakPolarHBondContact O-CB 3.4Å; N42-V45 PolarHBondContact O-N 3.28Å; V45-L48 PolarHBondContact O-N 2.85Å; V45-Q49 WeakPolarHBondContact O-CG 3.27Å; V45-Q49 PolarHBondContact O-N 2.95Å
46Y96.5Very high93.4Very high139 Ų13982.3 Ų82.355%0.54540%0.404SS..Hα-helixtrans-62.6-44.7176.4-69-56000112.1N42 D43 L44 L48 Q49 D50N42-Y46 HydrophobicContact CB-CE2 4.32Å; N42-Y46 WeakPolarHBondContact O-CD2 3.45Å; N42-Y46 PolarHBondContact O-N 3.04Å; D43-Y46 PolarHBondContact O-N 3.5Å; L44-Y46 VanDerWaalsContact C-N 3.33Å; L44-Y46 PolarHBondContact O-N 3.49Å; Y46-L48 VanDerWaalsContact C-N 3.33Å; Y46-L48 PolarHBondContact O-N 3.47Å; Y46-Q49 WeakPolarHBondContact O-CB 3.48Å; Y46-Q49 PolarHBondContact O-N 2.67Å; Y46-Q49 VanDerWaalsContact O-N 3.17Å; Y46-D50 PolarHBondContact O-N 2.73Å
47K96.2Very high93.7Very high54 Ų5484 Ų8424%0.23541%0.405CS..Hα-helixtrans-60.4-41.5176.5-71.2175.1176-69.40112.6S16 I17 H20 D43 L44 D50 V51S16-K47 PolarHBondContact OG-NZ 3.46Å; I17-K47 HydrophobicContact CD1-CB 4.23Å; I17-K47 HydrophobicContact CG1-CB 3.68Å; I17-K47 HydrophobicContact CG1-CD 4.32Å; H20-K47 HydrophobicContact CB-CD 4.11Å; D43-K47 WeakPolarHBondContact O-CG 3.42Å; D43-K47 PolarHBondContact O-N 3.47Å; L44-K47 PolarHBondContact O-N 3.21Å; K47-D50 PolarHBondContact O-N 3.49Å; K47-V51 PolarHBondContact O-N 2.94Å; K47-V51 VanDerWaalsContact O-N 3.1Å
48L97.2Very high94Very high92 Ų9280.8 Ų80.848%0.48239%0.391SS..Hα-helixtrans-64.9-39175.7-72.1169.1000112I17 L44 V45 Y46 D50 V51 D52I17-L48 HydrophobicContact CD1-CD2 4.24Å; L44-L48 HydrophobicContact CD1-CD1 4.35Å; L44-L48 HydrophobicContact CD1-CG 4.33Å; L44-L48 HydrophobicContact CG-CD1 4.13Å; L44-L48 WeakPolarHBondContact O-CG 3.37Å; L44-L48 PolarHBondContact O-N 3Å; V45-L48 PolarHBondContact O-N 2.85Å; Y46-L48 VanDerWaalsContact C-N 3.33Å; Y46-L48 PolarHBondContact O-N 3.47Å; L48-D50 VanDerWaalsContact C-N 3.33Å; L48-V51 PolarHBondContact O-N 2.94Å; L48-D52 PolarHBondContact O-N 3.48Å
49Q97.1Very high94.2Very high85 Ų8581.7 Ų81.740%0.39740%0.395SS..Hα-helixtrans-65.4-35.7174.3-73.8176.7-9.900112.5V45 Y46 D52 R53V45-Q49 WeakPolarHBondContact O-CG 3.27Å; V45-Q49 PolarHBondContact O-N 2.95Å; Y46-Q49 WeakPolarHBondContact O-CB 3.48Å; Y46-Q49 PolarHBondContact O-N 2.67Å; Y46-Q49 VanDerWaalsContact O-N 3.17Å; Q49-D52 PolarHBondContact O-N 3.24Å; Q49-R53 VanDerWaalsContact O-CG 3.31Å; Q49-R53 WeakPolarHBondContact O-CG 3.35Å; Q49-R53 PolarHBondContact O-N 3.42Å; Q49-R53 VanDerWaalsContact O-N 3.09Å
50D94.8Very high94.3Very high68 Ų6880.3 Ų80.336%0.36439%0.394SS..Hα-helixtrans-67.6-42.2176.9-71.2-24.6000111Y46 K47 L48 D52 R53 M54Y46-D50 PolarHBondContact O-N 2.73Å; K47-D50 PolarHBondContact O-N 3.49Å; L48-D50 VanDerWaalsContact C-N 3.33Å; D50-D52 PolarHBondContact O-N 3.43Å; D50-R53 WeakPolarHBondContact O-CB 3.5Å; D50-R53 PolarHBondContact O-N 2.99Å; D50-R53 IonicContact OD1-CZ 2.66Å; D50-R53 IonicContact OD1-NH1 3.69Å; D50-R53 PolarHBondContact OD1-NH1 3.29Å; D50-M54 WeakPolarHBondContact O-CG 3.41Å; D50-M54 PolarHBondContact O-N 3.33Å
51V95.5Very high94.4Very high37 Ų3781.7 Ų81.722%0.22441%0.405CS..Hα-helixtrans-62.6-40.1172.9171.40000112.2L10 N13 I17 K47 L48 R53 M54L10-V51 HydrophobicContact CD1-CG1 4.28Å; N13-V51 HydrophobicContact CB-CG2 3.93Å; I17-V51 HydrophobicContact CD1-CB 4.36Å; I17-V51 HydrophobicContact CD1-CG2 3.48Å; I17-V51 VanDerWaalsContact CD1-CG2 3.48Å; K47-V51 PolarHBondContact O-N 2.94Å; K47-V51 VanDerWaalsContact O-N 3.1Å; L48-V51 PolarHBondContact O-N 2.94Å; V51-R53 VanDerWaalsContact C-N 3.31Å; V51-R53 PolarHBondContact O-N 3.49Å; V51-M54 WeakPolarHBondContact O-CB 3.33Å; V51-M54 PolarHBondContact O-N 3.31Å; V51-M54 VanDerWaalsContact O-N 3.16Å
52D96Very high94.5Very high113 Ų11386.6 Ų86.660%0.60443%0.426SS*.Hα-helixtrans-60-40.3175.9-172.765.8000111.8L48 Q49 D50 M54 Q55L48-D52 PolarHBondContact O-N 3.48Å; Q49-D52 PolarHBondContact O-N 3.24Å; D50-D52 PolarHBondContact O-N 3.43Å; D52-M54 VanDerWaalsContact C-N 3.3Å; D52-M54 PolarHBondContact O-N 3.1Å; D52-Q55 WeakPolarHBondContact O-CB 3.38Å; D52-Q55 PolarHBondContact O-N 3.35Å; D52-Q55 VanDerWaalsContact O-N 3.17Å
53R94.8Very high94.5Very high160 Ų16087 Ų8760%0.60443%0.431SS*.Hα-helixtrans-65.3-32.8176-69.7166.8-177.3167.8-0.2113.1Q49 D50 V51 Q55 V56Q49-R53 VanDerWaalsContact O-CG 3.31Å; Q49-R53 WeakPolarHBondContact O-CG 3.35Å; Q49-R53 PolarHBondContact O-N 3.42Å; Q49-R53 VanDerWaalsContact O-N 3.09Å; D50-R53 WeakPolarHBondContact O-CB 3.5Å; D50-R53 PolarHBondContact O-N 2.99Å; D50-R53 IonicContact OD1-CZ 2.66Å; D50-R53 IonicContact OD1-NH1 3.69Å; D50-R53 PolarHBondContact OD1-NH1 3.29Å; V51-R53 VanDerWaalsContact C-N 3.31Å; V51-R53 PolarHBondContact O-N 3.49Å; R53-Q55 PolarHBondContact O-N 2.92Å; R53-V56 PolarHBondContact O-N 3.31Å
54M93.6Very high94.6Very high18 Ų1886.5 Ų86.59%0.08943%0.431CS..Hα-helixtrans-67.5-14.9177.2-65.8-177.571.900113.2I9 L10 N13 D50 V51 D52 V56 E57I9-M54 HydrophobicContact CB-CE 4.03Å; I9-M54 HydrophobicContact CG2-CE 3.53Å; I9-M54 HydrophobicContact CG2-SD 4.37Å; L10-M54 HydrophobicContact CB-CE 3.83Å; L10-M54 HydrophobicContact CD1-CB 4.42Å; L10-M54 HydrophobicContact CD1-CE 4.19Å; L10-M54 HydrophobicContact CD1-SD 4.16Å; N13-M54 HydrophobicContact CB-SD 4.28Å; D50-M54 WeakPolarHBondContact O-CG 3.41Å; D50-M54 PolarHBondContact O-N 3.33Å; V51-M54 WeakPolarHBondContact O-CB 3.33Å; V51-M54 PolarHBondContact O-N 3.31Å; V51-M54 VanDerWaalsContact O-N 3.16Å; D52-M54 VanDerWaalsContact C-N 3.3Å; D52-M54 PolarHBondContact O-N 3.1Å; M54-V56 PolarHBondContact O-N 2.96Å; M54-V56 VanDerWaalsContact O-N 3.08Å; M54-E57 PolarHBondContact O-N 3.03Å
55Q92.6Very high94.6Very high127 Ų12791 Ų9159%0.59345%0.453SS*.G310 helixtrans-51.9-34.4175.4-171.9-164.5-6.500112.2D52 R53 E57 M58 Q59D52-Q55 WeakPolarHBondContact O-CB 3.38Å; D52-Q55 PolarHBondContact O-N 3.35Å; D52-Q55 VanDerWaalsContact O-N 3.17Å; R53-Q55 PolarHBondContact O-N 2.92Å; Q55-E57 PolarHBondContact O-N 3.41Å; Q55-M58 PolarHBondContact O-N 3.49Å; Q55-Q59 PolarHBondContact O-N 3.38Å
56V92.8Very high94.4Very high100 Ų10093.4 Ų93.461%0.60646%0.461SS*.G310 helixtrans-60.8-34.6179.5-178.40000112R53 M54 M58 Q59R53-V56 PolarHBondContact O-N 3.31Å; M54-V56 PolarHBondContact O-N 2.96Å; M54-V56 VanDerWaalsContact O-N 3.08Å; V56-M58 PolarHBondContact O-N 3.25Å; V56-Q59 WeakPolarHBondContact O-CG 3.38Å
57E91.3Very high94.4Very high104 Ų10488 Ų8849%0.48644%0.441SS..G310 helixtrans-78.5-7.9178.4-60.1-173.3-177.600113.1R6 M54 Q55R6-E57 PolarHBondContact NH1-O 2.69Å; M54-E57 PolarHBondContact O-N 3.03Å; Q55-E57 PolarHBondContact O-N 3.41Å
58M91.8Very high94.5Very high26 Ų2690.2 Ų90.213%0.12845%0.451CS..G310 helixtrans-1148.9-174.8-61.4-61.9136.800113.6R6 F7 L10 Q55 V56 D60 V61R6-M58 HydrophobicContact CB-CE 3.56Å; R6-M58 HydrophobicContact CG-CE 3.65Å; R6-M58 WeakPolarHBondContact O-CE 3.36Å; F7-M58 HydrophobicContact CD1-CE 4.44Å; F7-M58 HydrophobicContact CD1-SD 3.88Å; F7-M58 HydrophobicContact CE1-SD 3.58Å; F7-M58 VanDerWaalsContact CE1-SD 3.58Å; F7-M58 HydrophobicContact CZ-SD 4.33Å; L10-M58 HydrophobicContact CD2-CG 4.08Å; L10-M58 HydrophobicContact CD2-SD 4.14Å; Q55-M58 PolarHBondContact O-N 3.49Å; V56-M58 PolarHBondContact O-N 3.25Å; M58-D60 PolarHBondContact O-N 3.17Å; M58-V61 WeakPolarHBondContact O-CB 3.3Å; M58-V61 PolarHBondContact O-N 3.39Å; M58-V61 HydrophobicContact SD-CG2 4.28Å
59Q91.9Very high94.4Very high134 Ų13489.3 Ų89.363%0.62645%0.452SS*.THydrogen-bonded Turntrans-64.4-25.4-173.1-68.2-177.59.200114.4Q55 V56 V61Q55-Q59 PolarHBondContact O-N 3.38Å; V56-Q59 WeakPolarHBondContact O-CG 3.38Å; Q59-V61 VanDerWaalsContact C-N 3.27Å
60D93.1Very high94.3Very high101 Ų10186.8 Ų86.854%0.5444%0.44SS..THydrogen-bonded Turntrans-80.7-6.1176.264.2-49.2000113.2R6 M58R6-D60 IonicContact CZ-OD1 3.49Å; R6-D60 IonicContact CZ-OD2 3.97Å; R6-D60 IonicContact NH1-OD1 3.47Å; R6-D60 PolarHBondContact NH1-OD1 3.08Å; R6-D60 IonicContact NH1-OD2 2.9Å; R6-D60 PolarHBondContact NH1-OD2 3.18Å; R6-D60 IonicContact NH2-OD1 2.73Å; R6-D60 PolarHBondContact NH2-OD1 3.02Å; R6-D60 IonicContact NH2-OD2 3.06Å; R6-D60 PolarHBondContact NH2-OD2 2.92Å; M58-D60 PolarHBondContact O-N 3.17Å
61V93.9Very high94.4Very high56 Ų5687.2 Ų87.234%0.33944%0.441SS..  trans-95.3109.4-178.9-172.20000109.5F7 M58 Q59F7-V61 HydrophobicContact CE1-CG1 4.45Å; F7-V61 HydrophobicContact CE1-CG2 3.87Å; F7-V61 HydrophobicContact CZ-CG1 4.49Å; F7-V61 HydrophobicContact CZ-CG2 3.57Å; M58-V61 WeakPolarHBondContact O-CB 3.3Å; M58-V61 PolarHBondContact O-N 3.39Å; M58-V61 HydrophobicContact SD-CG2 4.28Å; Q59-V61 VanDerWaalsContact C-N 3.27Å
62H93.9Very high94.4Very high168 Ų16892 Ų9278%0.77847%0.465SS*.PPolyproline II helixtrans-99.4122.5175.1-65.9-63.1000111.1
63V94.4Very high94.5Very high77 Ų7789.7 Ų89.747%0.46746%0.463SS..PPolyproline II helixtrans-100.3119.6175.3-1760000109I65 L67 F68V63-I65 PolarHBondContact O-N 2.96Å; V63-L67 HydrophobicContact CG1-CB 4.43Å; V63-L67 HydrophobicContact CG1-CD2 3.76Å; V63-F68 HydrophobicContact CG1-CE2 4.25Å; V63-F68 HydrophobicContact CG1-CZ 4.17Å
64P96.2Very high94.6Very high48 Ų4885.5 Ų85.531%0.31247%0.469SS..PPolyproline II helixtrans-59.5136.3177.2-25.535.6000112E66 L67 Y80P64-E66 PolarHBondContact O-N 3.22Å; P64-L67 WeakPolarHBondContact O-CB 3.03Å; P64-L67 PolarHBondContact O-N 2.94Å; P64-Y80 HydrophobicContact CB-CE1 3.92Å; P64-Y80 WeakPolarHBondContact CB-OH 3.1Å; P64-Y80 HydrophobicContact CG-CE1 3.78Å
65I95.9Very high94.7Very high138 Ų13889 Ų8971%0.70849%0.485SS*.Hα-helixtrans-64.3-33.3-176.7-64.1173.2000110.7V63 L67 F68V63-I65 PolarHBondContact O-N 2.96Å; I65-L67 PolarHBondContact O-N 3.49Å; I65-F68 WeakPolarHBondContact O-CD2 3.35Å; I65-F68 PolarHBondContact O-N 3.31Å
66E93.5Very high94.9Very high117 Ų11787.6 Ų87.655%0.54748%0.482SS..Hα-helixtrans-63-24.4177.7-59.280.4-174.500112.4P64 F68 S69 Y80P64-E66 PolarHBondContact O-N 3.22Å; E66-F68 VanDerWaalsContact C-N 3.3Å; E66-F68 PolarHBondContact O-N 3.4Å; E66-S69 PolarHBondContact O-N 3.46Å; E66-S69 PolarHBondContact O-OG 3.48Å; E66-Y80 HydrophobicContact CB-CD2 4.24Å; E66-Y80 HydrophobicContact CB-CE2 3.62Å
67L96.7Very high95.1Very high26 Ų2685.2 Ų85.214%0.13647%0.469CS..Hα-helixtrans-63.8-36.1177.4-17164.7000112V63 P64 I65 S69 K70 I71 P77 Y80V63-L67 HydrophobicContact CG1-CB 4.43Å; V63-L67 HydrophobicContact CG1-CD2 3.76Å; P64-L67 WeakPolarHBondContact O-CB 3.03Å; P64-L67 PolarHBondContact O-N 2.94Å; I65-L67 PolarHBondContact O-N 3.49Å; L67-S69 PolarHBondContact O-N 2.9Å; L67-K70 WeakPolarHBondContact O-CB 3.46Å; L67-K70 PolarHBondContact O-N 3.46Å; L67-I71 HydrophobicContact CD2-CD1 4.33Å; L67-I71 HydrophobicContact CG-CD1 4.09Å; L67-I71 PolarHBondContact O-N 3.1Å; L67-P77 HydrophobicContact CD1-CB 3.84Å; L67-P77 HydrophobicContact CG-CB 4.45Å; L67-Y80 VanDerWaalsContact CD1-CB 3.43Å; L67-Y80 HydrophobicContact CD1-CD1 3.92Å; L67-Y80 HydrophobicContact CD1-CG 3.76Å
68F96.5Very high95.3Very high99 Ų9986 Ų8643%0.43447%0.472SS..Hα-helixtrans-58.4-34.7-179-68.9-74.8000111.8V63 I65 E66 K70 I71 D72V63-F68 HydrophobicContact CG1-CE2 4.25Å; V63-F68 HydrophobicContact CG1-CZ 4.17Å; I65-F68 WeakPolarHBondContact O-CD2 3.35Å; I65-F68 PolarHBondContact O-N 3.31Å; E66-F68 VanDerWaalsContact C-N 3.3Å; E66-F68 PolarHBondContact O-N 3.4Å; F68-K70 PolarHBondContact O-N 2.91Å; F68-I71 HydrophobicContact CD1-CD1 4.5Å; F68-I71 PolarHBondContact O-N 3.31Å; F68-I71 VanDerWaalsContact O-N 3.1Å; F68-D72 WeakPolarHBondContact O-CB 3.12Å; F68-D72 VanDerWaalsContact O-CG 3.28Å; F68-D72 PolarHBondContact O-N 2.93Å
69S95.1Very high95.5Very high73 Ų7388 Ų8851%0.5148%0.483SS..Hα-helixtrans-59.3-33.317671.90000113.6E66 L67 A73E66-S69 PolarHBondContact O-N 3.46Å; E66-S69 PolarHBondContact O-OG 3.48Å; L67-S69 PolarHBondContact O-N 2.9Å; S69-A73 WeakPolarHBondContact O-CB 3.37Å; S69-A73 PolarHBondContact O-N 3.45Å
70K95.5Very high95.8Very high32 Ų3283.9 Ų83.914%0.13946%0.462CS..Hα-helixtrans-75.2-42.2175.9-55.8-67.1-177.5170.70110.5L67 F68 A73 G74 Q75 E83L67-K70 WeakPolarHBondContact O-CB 3.46Å; L67-K70 PolarHBondContact O-N 3.46Å; F68-K70 PolarHBondContact O-N 2.91Å; K70-A73 PolarHBondContact O-N 3.14Å; K70-G74 PolarHBondContact O-N 3.2Å; K70-Q75 HydrophobicContact CB-CB 4.35Å; K70-Q75 VanDerWaalsContact CD-OE1 3.27Å; K70-Q75 WeakPolarHBondContact O-CB 3.5Å; K70-Q75 PolarHBondContact O-N 3.09Å; K70-E83 WeakPolarHBondContact CE-OE2 3.5Å; K70-E83 IonicContact NZ-OE1 3.51Å; K70-E83 PolarHBondContact NZ-OE1 3.28Å; K70-E83 IonicContact NZ-OE2 3.46Å; K70-E83 PolarHBondContact NZ-OE2 2.89Å
71I96.3Very high96Very high77 Ų7782 Ų8240%0.39546%0.455SS..Hα-helixtrans-63.3-49.9179.5-63.7169.4000110.6L67 F68 A73 G74 P77L67-I71 HydrophobicContact CD2-CD1 4.33Å; L67-I71 HydrophobicContact CG-CD1 4.09Å; L67-I71 PolarHBondContact O-N 3.1Å; F68-I71 HydrophobicContact CD1-CD1 4.5Å; F68-I71 PolarHBondContact O-N 3.31Å; F68-I71 VanDerWaalsContact O-N 3.1Å; I71-A73 PolarHBondContact O-N 3.06Å; I71-G74 WeakPolarHBondContact O-CA 3.38Å; I71-G74 PolarHBondContact O-N 3.16Å; I71-P77 HydrophobicContact CG1-CG 3.99Å
72D97Very high96.1Very high137 Ų13786.6 Ų86.673%0.73347%0.466SS*.Hα-helixtrans-62.8-30.6-179.1-67.6-17.7000112.1F68 G74F68-D72 WeakPolarHBondContact O-CB 3.12Å; F68-D72 VanDerWaalsContact O-CG 3.28Å; F68-D72 PolarHBondContact O-N 2.93Å; D72-G74 PolarHBondContact O-N 3.24Å
73A97Very high96.2Very high66 Ų6682 Ų8255%0.54544%0.444SS..THydrogen-bonded Turntrans-79.60.117400000113.9S69 K70 I71 Q75S69-A73 WeakPolarHBondContact O-CB 3.37Å; S69-A73 PolarHBondContact O-N 3.45Å; K70-A73 PolarHBondContact O-N 3.14Å; I71-A73 PolarHBondContact O-N 3.06Å; A73-Q75 HydrophobicContact CB-CG 4.03Å; A73-Q75 PolarHBondContact O-N 3.41Å
74G96.6Very high96.4Very high72 Ų7280.5 Ų80.574%0.74244%0.437SS*.THydrogen-bonded Turntrans68.319.4-17600000113.9K70 I71 D72K70-G74 PolarHBondContact O-N 3.2Å; I71-G74 WeakPolarHBondContact O-CA 3.38Å; I71-G74 PolarHBondContact O-N 3.16Å; D72-G74 PolarHBondContact O-N 3.24Å
75Q96.9Very high96.4Very high91 Ų9184.1 Ų84.143%0.42545%0.451SS..  trans-86.4155.6179.1-62.3-175.1-20.400111.2K70 A73 P77 L79K70-Q75 HydrophobicContact CB-CB 4.35Å; K70-Q75 VanDerWaalsContact CD-OE1 3.27Å; K70-Q75 WeakPolarHBondContact O-CB 3.5Å; K70-Q75 PolarHBondContact O-N 3.09Å; A73-Q75 HydrophobicContact CB-CG 4.03Å; A73-Q75 PolarHBondContact O-N 3.41Å; Q75-P77 VanDerWaalsContact O-CD 3.27Å; Q75-P77 WeakPolarHBondContact O-CD 3.35Å; Q75-L79 HydrophobicContact CB-CD1 4.27Å
76N96.8Very high96.6Very high97 Ų9782 Ų8252%0.51944%0.439SS..  trans-63.4120.1174.4-175.7-16.3000110.2Q78 L79N76-Q78 PolarHBondContact O-N 3.42Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.41Å; N76-Q78 WeakPolarHBondContact OD1-CG 3.16Å; N76-Q78 PolarHBondContact OD1-N 3.02Å; N76-L79 HydrophobicContact CB-CG 4.43Å; N76-L79 WeakPolarHBondContact O-CB 3.45Å; N76-L79 WeakPolarHBondContact O-CG 3.22Å; N76-L79 PolarHBondContact O-N 2.89Å
77P96.4Very high96.8Very high51 Ų5181.4 Ų81.433%0.33144%0.436SS..THydrogen-bonded Turntrans-57-25.3179.5-26.336.1000113.7L67 I71 Q75 L79 Y80L67-P77 HydrophobicContact CD1-CB 3.84Å; L67-P77 HydrophobicContact CG-CB 4.45Å; I71-P77 HydrophobicContact CG1-CG 3.99Å; Q75-P77 VanDerWaalsContact O-CD 3.27Å; Q75-P77 WeakPolarHBondContact O-CD 3.35Å; P77-L79 PolarHBondContact O-N 3.21Å; P77-L79 VanDerWaalsContact O-N 3.13Å; P77-Y80 WeakPolarHBondContact O-CB 3.22Å; P77-Y80 PolarHBondContact O-N 3.46Å
78Q96.6Very high96.9Very high119 Ų11983 Ų8356%0.55645%0.452SS*.Hα-helixtrans-63.1-17.6176.4-60.8-60.4-15.100113.6N76 Y80 T81 R82N76-Q78 PolarHBondContact O-N 3.42Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.41Å; N76-Q78 WeakPolarHBondContact OD1-CG 3.16Å; N76-Q78 PolarHBondContact OD1-N 3.02Å; Q78-Y80 VanDerWaalsContact C-N 3.3Å; Q78-T81 WeakPolarHBondContact O-CB 3.33Å; Q78-T81 PolarHBondContact O-N 2.96Å; Q78-T81 PolarHBondContact OE1-OG1 3.34Å; Q78-R82 WeakPolarHBondContact O-CB 3.39Å; Q78-R82 PolarHBondContact O-N 3.32Å
79L96Very high97Very high69 Ų6983.3 Ų83.336%0.36146%0.458SS..Hα-helixtrans-63.1-37.8171.5-66.1177.4000111.7Q75 N76 P77 R82 E83Q75-L79 HydrophobicContact CB-CD1 4.27Å; N76-L79 HydrophobicContact CB-CG 4.43Å; N76-L79 WeakPolarHBondContact O-CB 3.45Å; N76-L79 WeakPolarHBondContact O-CG 3.22Å; N76-L79 PolarHBondContact O-N 2.89Å; P77-L79 PolarHBondContact O-N 3.21Å; P77-L79 VanDerWaalsContact O-N 3.13Å; L79-R82 PolarHBondContact O-N 3.43Å; L79-E83 WeakPolarHBondContact O-CB 3.45Å; L79-E83 VanDerWaalsContact O-CG 3.28Å; L79-E83 WeakPolarHBondContact O-CG 3.31Å; L79-E83 PolarHBondContact O-N 3.39Å
80Y97Very high97.1Very high47 Ų4782.5 Ų82.518%0.18446%0.456CS..Hα-helixtrans-62.8-48173.7173.8-94000111.2P64 E66 L67 P77 Q78 R82 E83 C84P64-Y80 HydrophobicContact CB-CE1 3.92Å; P64-Y80 WeakPolarHBondContact CB-OH 3.1Å; P64-Y80 HydrophobicContact CG-CE1 3.78Å; E66-Y80 HydrophobicContact CB-CD2 4.24Å; E66-Y80 HydrophobicContact CB-CE2 3.62Å; L67-Y80 VanDerWaalsContact CD1-CB 3.43Å; L67-Y80 HydrophobicContact CD1-CD1 3.92Å; L67-Y80 HydrophobicContact CD1-CG 3.76Å; P77-Y80 WeakPolarHBondContact O-CB 3.22Å; P77-Y80 PolarHBondContact O-N 3.46Å; Q78-Y80 VanDerWaalsContact C-N 3.3Å; Y80-R82 VanDerWaalsContact C-N 3.26Å; Y80-R82 PolarHBondContact O-N 2.9Å; Y80-E83 PolarHBondContact O-N 3.03Å; Y80-C84 VanDerWaalsContact CE1-SG 3.6Å; Y80-C84 WeakPolarHBondContact O-CB 3.43Å; Y80-C84 PolarHBondContact O-N 2.9Å
81T97Very high97.3Very high63 Ų6387.6 Ų87.639%0.38748%0.478SS..Hα-helixtrans-54.4-47.3176.9-52.50000110.8Q78 C84 M85Q78-T81 WeakPolarHBondContact O-CB 3.33Å; Q78-T81 PolarHBondContact O-N 2.96Å; Q78-T81 PolarHBondContact OE1-OG1 3.34Å; T81-C84 PolarHBondContact O-N 3.39Å; T81-M85 HydrophobicContact CG2-SD 4.4Å; T81-M85 WeakPolarHBondContact O-CG 3.48Å; T81-M85 PolarHBondContact O-N 3.44Å
82R97.2Very high97.4Very high152 Ų15289 Ų8957%0.57449%0.486SS*.Hα-helixtrans-60.9-50.7177.6-179.9-179.4174165.61.2112Q78 L79 Y80 C84 M85 E86Q78-R82 WeakPolarHBondContact O-CB 3.39Å; Q78-R82 PolarHBondContact O-N 3.32Å; L79-R82 PolarHBondContact O-N 3.43Å; Y80-R82 VanDerWaalsContact C-N 3.26Å; Y80-R82 PolarHBondContact O-N 2.9Å; R82-C84 VanDerWaalsContact C-N 3.31Å; R82-C84 PolarHBondContact O-N 3.43Å; R82-M85 PolarHBondContact O-N 3.21Å; R82-E86 HydrophobicContact CG-CG 4.4Å; R82-E86 IonicContact CZ-OE1 3.21Å; R82-E86 IonicContact NE-OE1 2.71Å; R82-E86 PolarHBondContact NE-OE1 3.38Å; R82-E86 IonicContact NH2-OE1 2.78Å; R82-E86 PolarHBondContact NH2-OE1 2.79Å; R82-E86 WeakPolarHBondContact O-CG 3.34Å; R82-E86 PolarHBondContact O-N 3.38Å
83E96.7Very high97.4Very high70 Ų7088.3 Ų88.333%0.32748%0.478SS..Hα-helixtrans-58.2-43.1178.8-75.6169-164.900111.4K70 L79 Y80 E86 Q87K70-E83 WeakPolarHBondContact CE-OE2 3.5Å; K70-E83 IonicContact NZ-OE1 3.51Å; K70-E83 PolarHBondContact NZ-OE1 3.28Å; K70-E83 IonicContact NZ-OE2 3.46Å; K70-E83 PolarHBondContact NZ-OE2 2.89Å; L79-E83 WeakPolarHBondContact O-CB 3.45Å; L79-E83 VanDerWaalsContact O-CG 3.28Å; L79-E83 WeakPolarHBondContact O-CG 3.31Å; L79-E83 PolarHBondContact O-N 3.39Å; Y80-E83 PolarHBondContact O-N 3.03Å; E83-E86 PolarHBondContact O-N 3.29Å; E83-Q87 WeakPolarHBondContact O-CB 3.16Å; E83-Q87 WeakPolarHBondContact O-CG 3.42Å; E83-Q87 PolarHBondContact O-N 3.35Å
84C97Very high97.5Very high47 Ų4787.7 Ų87.732%0.31847%0.474SS..Hα-helixtrans-62.3-43.2176-76.70000112.5Y80 T81 R82 A88Y80-C84 VanDerWaalsContact CE1-SG 3.6Å; Y80-C84 WeakPolarHBondContact O-CB 3.43Å; Y80-C84 PolarHBondContact O-N 2.9Å; T81-C84 PolarHBondContact O-N 3.39Å; R82-C84 VanDerWaalsContact C-N 3.31Å; R82-C84 PolarHBondContact O-N 3.43Å; C84-A88 WeakPolarHBondContact O-CB 3.28Å; C84-A88 PolarHBondContact O-N 3.19Å
85M98Very high97.6Very high123 Ų12388.6 Ų88.661%0.60647%0.465SS*.Hα-helixtrans-63.8-47.1176.4-72.7-179.566.600111.7T81 R82 Q87 A88 L89T81-M85 HydrophobicContact CG2-SD 4.4Å; T81-M85 WeakPolarHBondContact O-CG 3.48Å; T81-M85 PolarHBondContact O-N 3.44Å; R82-M85 PolarHBondContact O-N 3.21Å; M85-Q87 VanDerWaalsContact C-N 3.35Å; M85-Q87 PolarHBondContact O-N 2.66Å; M85-A88 PolarHBondContact O-N 3.08Å; M85-L89 WeakPolarHBondContact O-CG 3.41Å; M85-L89 PolarHBondContact O-N 3.22Å
86E98.4Very high97.7Very high95 Ų9591.4 Ų91.444%0.44447%0.471SS..Hα-helixtrans-60.9-43.3177.9-72.3175.5176.400111.2R82 E83 L89 A90R82-E86 HydrophobicContact CG-CG 4.4Å; R82-E86 IonicContact CZ-OE1 3.21Å; R82-E86 IonicContact NE-OE1 2.71Å; R82-E86 PolarHBondContact NE-OE1 3.38Å; R82-E86 IonicContact NH2-OE1 2.78Å; R82-E86 PolarHBondContact NH2-OE1 2.79Å; R82-E86 WeakPolarHBondContact O-CG 3.34Å; R82-E86 PolarHBondContact O-N 3.38Å; E83-E86 PolarHBondContact O-N 3.29Å; E86-L89 PolarHBondContact O-N 2.85Å; E86-A90 WeakPolarHBondContact O-CB 3.4Å; E86-A90 PolarHBondContact O-N 2.9Å
87Q98Very high97.7Very high104 Ų10488.4 Ų88.449%0.48646%0.464SS..Hα-helixtrans-64.4-39.8174.7-73.8178.124.300112.8E83 M85 A90 K91E83-Q87 WeakPolarHBondContact O-CB 3.16Å; E83-Q87 WeakPolarHBondContact O-CG 3.42Å; E83-Q87 PolarHBondContact O-N 3.35Å; M85-Q87 VanDerWaalsContact C-N 3.35Å; M85-Q87 PolarHBondContact O-N 2.66Å; Q87-A90 PolarHBondContact O-N 3.02Å; Q87-K91 WeakPolarHBondContact O-CB 3.29Å; Q87-K91 VanDerWaalsContact O-CG 3.3Å; Q87-K91 WeakPolarHBondContact O-CG 3.33Å; Q87-K91 PolarHBondContact O-N 3.29Å
88A98.5Very high97.8Very high58 Ų5893 Ų9348%0.47948%0.478SS..Hα-helixtrans-64.1-42.2177.400000111.3C84 M85 K91 N92C84-A88 WeakPolarHBondContact O-CB 3.28Å; C84-A88 PolarHBondContact O-N 3.19Å; M85-A88 PolarHBondContact O-N 3.08Å; A88-K91 PolarHBondContact O-N 3.29Å; A88-N92 WeakPolarHBondContact O-CB 3.43Å; A88-N92 PolarHBondContact O-N 2.98Å
89L98.5Very high97.9Very high107 Ų10791 Ų9156%0.5647%0.471SS*.Hα-helixtrans-62-50.6174.3-70.8171.8000111.4M85 E86 K91 N92 E93M85-L89 WeakPolarHBondContact O-CG 3.41Å; M85-L89 PolarHBondContact O-N 3.22Å; E86-L89 PolarHBondContact O-N 2.85Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-K91 PolarHBondContact O-N 3.36Å; L89-N92 WeakPolarHBondContact O-CB 3.35Å; L89-N92 PolarHBondContact O-N 3.17Å; L89-N92 VanDerWaalsContact O-N 3.1Å; L89-E93 PolarHBondContact O-N 3.1Å
90A98.6Very high98Very high55 Ų5591.2 Ų91.246%0.45547%0.472SS..Hα-helixtrans-59.4-41.7178.600000112.3E86 Q87 E93 A94E86-A90 WeakPolarHBondContact O-CB 3.4Å; E86-A90 PolarHBondContact O-N 2.9Å; Q87-A90 PolarHBondContact O-N 3.02Å; A90-E93 PolarHBondContact O-N 3.44Å; A90-A94 WeakPolarHBondContact O-CB 3.35Å; A90-A94 PolarHBondContact O-N 3.13Å
91K98.5Very high98.1Very high140 Ų14092.8 Ų92.861%0.60949%0.49SS*.Hα-helixtrans-63.6-42.2174.6-76.8174.8-178.11680111.7Q87 A88 L89 A94 V95Q87-K91 WeakPolarHBondContact O-CB 3.29Å; Q87-K91 VanDerWaalsContact O-CG 3.3Å; Q87-K91 WeakPolarHBondContact O-CG 3.33Å; Q87-K91 PolarHBondContact O-N 3.29Å; A88-K91 PolarHBondContact O-N 3.29Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-K91 PolarHBondContact O-N 3.36Å; K91-A94 PolarHBondContact O-N 2.98Å; K91-V95 WeakPolarHBondContact O-CB 3.45Å; K91-V95 VanDerWaalsContact O-CG2 3.27Å; K91-V95 WeakPolarHBondContact O-CG2 3.27Å; K91-V95 PolarHBondContact O-N 2.97Å
92N98.4Very high98.1Very high106 Ų10695.1 Ų95.157%0.56750%0.5SS*.Hα-helixtrans-61.2-48.3177.3-173.2-5.3000111.2A88 L89 A94 V95 R96A88-N92 WeakPolarHBondContact O-CB 3.43Å; A88-N92 PolarHBondContact O-N 2.98Å; L89-N92 WeakPolarHBondContact O-CB 3.35Å; L89-N92 PolarHBondContact O-N 3.17Å; L89-N92 VanDerWaalsContact O-N 3.1Å; N92-A94 PolarHBondContact O-N 3.4Å; N92-V95 PolarHBondContact O-N 2.92Å; N92-R96 WeakPolarHBondContact O-CB 3.34Å; N92-R96 PolarHBondContact O-N 3.02Å
93E98.5Very high98.1Very high122 Ų12294.7 Ų94.757%0.5750%0.498SS*.Hα-helixtrans-60.9-43.3177.2-70.3-178.9165.100112.6L89 A90 V95 R96 G97L89-E93 PolarHBondContact O-N 3.1Å; A90-E93 PolarHBondContact O-N 3.44Å; E93-V95 PolarHBondContact O-N 3.3Å; E93-R96 PolarHBondContact O-N 3.21Å; E93-G97 PolarHBondContact O-N 2.97Å
94A98.4Very high98.1Very high54 Ų54100.3 Ų100.345%0.44652%0.516SS..Hα-helixtrans-62.4-42.1176.200000112.2A90 K91 N92 G97 K98A90-A94 WeakPolarHBondContact O-CB 3.35Å; A90-A94 PolarHBondContact O-N 3.13Å; K91-A94 PolarHBondContact O-N 2.98Å; N92-A94 PolarHBondContact O-N 3.4Å; A94-G97 PolarHBondContact O-N 3.46Å; A94-K98 WeakPolarHBondContact O-CG 3.43Å; A94-K98 PolarHBondContact O-N 2.95Å
95V98.6Very high98.2Very high91 Ų91104 Ų10455%0.55253%0.527SS*.Hα-helixtrans-65.7-42.4176170.20000110.9K91 N92 E93 G97 K98 L99K91-V95 WeakPolarHBondContact O-CB 3.45Å; K91-V95 VanDerWaalsContact O-CG2 3.27Å; K91-V95 WeakPolarHBondContact O-CG2 3.27Å; K91-V95 PolarHBondContact O-N 2.97Å; N92-V95 PolarHBondContact O-N 2.92Å; E93-V95 PolarHBondContact O-N 3.3Å; V95-G97 PolarHBondContact O-N 2.98Å; V95-K98 PolarHBondContact O-N 3.07Å; V95-L99 WeakPolarHBondContact O-CB 3.38Å; V95-L99 PolarHBondContact O-N 3.23Å
96R98.2Very high98Very high149 Ų149103 Ų10356%0.56252%0.517SS*.Hα-helixtrans-58.3-48.1174.4-174.3178.968.1166.5-1.7111.4N92 E93 K98 L99 D100N92-R96 WeakPolarHBondContact O-CB 3.34Å; N92-R96 PolarHBondContact O-N 3.02Å; E93-R96 PolarHBondContact O-N 3.21Å; R96-K98 VanDerWaalsContact C-N 3.33Å; R96-K98 PolarHBondContact O-N 2.78Å; R96-L99 WeakPolarHBondContact O-CB 3.44Å; R96-L99 PolarHBondContact O-N 3.1Å; R96-L99 VanDerWaalsContact O-N 3.12Å; R96-D100 PolarHBondContact O-N 2.98Å
97G98.2Very high97.8Very high35 Ų35100.6 Ų100.636%0.36151%0.509SS..Hα-helixtrans-61.4-37.8177.500000113.6E93 A94 V95 S101E93-G97 PolarHBondContact O-N 2.97Å; A94-G97 PolarHBondContact O-N 3.46Å; V95-G97 PolarHBondContact O-N 2.98Å; G97-S101 WeakPolarHBondContact O-CB 3.38Å; G97-S101 PolarHBondContact O-N 2.83Å; G97-S101 PolarHBondContact O-OG 3.36Å
98K98.5Very high97.8Very high146 Ų146100.7 Ų100.764%0.63551%0.512SS*.Hα-helixtrans-64.3-44.5171.8-73.6176.2-176.8-179.70111.7A94 V95 R96 S101 L102A94-K98 WeakPolarHBondContact O-CG 3.43Å; A94-K98 PolarHBondContact O-N 2.95Å; V95-K98 PolarHBondContact O-N 3.07Å; R96-K98 VanDerWaalsContact C-N 3.33Å; R96-K98 PolarHBondContact O-N 2.78Å; K98-S101 PolarHBondContact O-N 3.22Å; K98-L102 WeakPolarHBondContact O-CG 3.32Å; K98-L102 PolarHBondContact O-N 2.95Å
99L98.3Very high97.6Very high77 Ų77101.2 Ų101.240%0.40351%0.506SS..Hα-helixtrans-62.1-44.2178.9-179.560.7000111.7V95 R96 S101 L102 R103V95-L99 WeakPolarHBondContact O-CB 3.38Å; V95-L99 PolarHBondContact O-N 3.23Å; R96-L99 WeakPolarHBondContact O-CB 3.44Å; R96-L99 PolarHBondContact O-N 3.1Å; R96-L99 VanDerWaalsContact O-N 3.12Å; L99-S101 VanDerWaalsContact C-N 3.34Å; L99-S101 PolarHBondContact O-N 3.41Å; L99-L102 PolarHBondContact O-N 3.21Å; L99-R103 WeakPolarHBondContact O-CB 3.44Å; L99-R103 VanDerWaalsContact O-CG 3.29Å; L99-R103 WeakPolarHBondContact O-CG 3.36Å; L99-R103 PolarHBondContact O-N 2.83Å
100D98Very high97.3Very high74 Ų7497.4 Ų97.440%0.39649%0.486SS..Hα-helixtrans-66.7-37.7178.6-68.2-23000111.6R96 R103 R104R96-D100 PolarHBondContact O-N 2.98Å; D100-R103 PolarHBondContact O-N 3.1Å; D100-R103 IonicContact OD1-NH1 3.41Å; D100-R103 PolarHBondContact OD1-NH1 3.13Å; D100-R104 WeakPolarHBondContact O-CB 3.35Å; D100-R104 PolarHBondContact O-N 2.71Å
101S98Very high97.1Very high80 Ų8098.5 Ų98.556%0.55949%0.49SS*.Hα-helixtrans-64.6-42.5173.5-62.30000112.1G97 K98 L99 R104 F105G97-S101 WeakPolarHBondContact O-CB 3.38Å; G97-S101 PolarHBondContact O-N 2.83Å; G97-S101 PolarHBondContact O-OG 3.36Å; K98-S101 PolarHBondContact O-N 3.22Å; L99-S101 VanDerWaalsContact C-N 3.34Å; L99-S101 PolarHBondContact O-N 3.41Å; S101-R104 PolarHBondContact O-N 3.04Å; S101-F105 WeakPolarHBondContact O-CB 3.43Å; S101-F105 PolarHBondContact O-N 2.76Å
102L98.1Very high97Very high112 Ų11295.7 Ų95.759%0.58648%0.479SS*.Hα-helixtrans-65.6-39.7174.8-75.5172.8000112.2K98 L99 F105 R106K98-L102 WeakPolarHBondContact O-CG 3.32Å; K98-L102 PolarHBondContact O-N 2.95Å; L99-L102 PolarHBondContact O-N 3.21Å; L102-F105 PolarHBondContact O-N 3.42Å; L102-R106 VanDerWaalsContact O-CB 3.3Å; L102-R106 WeakPolarHBondContact O-CB 3.04Å; L102-R106 PolarHBondContact O-N 3.38Å
103R96.9Very high96.9Very high144 Ų14493.3 Ų93.354%0.54347%0.466SS..Hα-helixtrans-61.5-47173.6-75.3169.1174.8166-6.1111L99 D100 R106 V107L99-R103 WeakPolarHBondContact O-CB 3.44Å; L99-R103 VanDerWaalsContact O-CG 3.29Å; L99-R103 WeakPolarHBondContact O-CG 3.36Å; L99-R103 PolarHBondContact O-N 2.83Å; D100-R103 PolarHBondContact O-N 3.1Å; D100-R103 IonicContact OD1-NH1 3.41Å; D100-R103 PolarHBondContact OD1-NH1 3.13Å; R103-R106 WeakPolarHBondContact O-CB 3.36Å; R103-R106 PolarHBondContact O-N 3.39Å; R103-V107 WeakPolarHBondContact O-CG2 3.39Å; R103-V107 PolarHBondContact O-N 3.18Å
104R97.3Very high96.7Very high187 Ų18789 Ų8971%0.70645%0.449SS*.Hα-helixtrans-62.6-46.1176.6-174.8176.1-178.3171.90.8111.9D100 S101 R106 V107 L108D100-R104 WeakPolarHBondContact O-CB 3.35Å; D100-R104 PolarHBondContact O-N 2.71Å; S101-R104 PolarHBondContact O-N 3.04Å; R104-R106 VanDerWaalsContact C-N 3.33Å; R104-R106 PolarHBondContact O-N 3.3Å; R104-V107 PolarHBondContact O-N 2.98Å; R104-L108 HydrophobicContact CG-CD1 4.28Å; R104-L108 WeakPolarHBondContact O-CG 3.3Å; R104-L108 PolarHBondContact O-N 3.03Å
105F97.8Very high96.5Very high125 Ų12594.3 Ų94.355%0.54846%0.458SS..Hα-helixtrans-58.5-45.6175.7174.5-110.7000111.3S101 L102 V107 L108 L109S101-F105 WeakPolarHBondContact O-CB 3.43Å; S101-F105 PolarHBondContact O-N 2.76Å; L102-F105 PolarHBondContact O-N 3.42Å; F105-V107 PolarHBondContact O-N 3.42Å; F105-L108 PolarHBondContact O-N 3.44Å; F105-L109 HydrophobicContact CE1-CD2 3.93Å; F105-L109 HydrophobicContact CZ-CB 4.44Å; F105-L109 HydrophobicContact CZ-CD2 4.03Å; F105-L109 VanDerWaalsContact O-CB 3.24Å; F105-L109 WeakPolarHBondContact O-CB 3.47Å; F105-L109 PolarHBondContact O-N 3.41Å
106R95Very high96.4Very high102 Ų10294.6 Ų94.639%0.38545%0.453SS..Hα-helixtrans-56.5-47.6175.2174.8-178.3165.8168.4-7111.6L102 R103 R104 L109 M110 R128 D130L102-R106 VanDerWaalsContact O-CB 3.3Å; L102-R106 WeakPolarHBondContact O-CB 3.04Å; L102-R106 PolarHBondContact O-N 3.38Å; R103-R106 WeakPolarHBondContact O-CB 3.36Å; R103-R106 PolarHBondContact O-N 3.39Å; R104-R106 VanDerWaalsContact C-N 3.33Å; R104-R106 PolarHBondContact O-N 3.3Å; R106-L109 PolarHBondContact O-N 2.97Å; R106-M110 HydrophobicContact CG-CG 4.22Å; R106-M110 WeakPolarHBondContact O-CB 3.36Å; R106-M110 WeakPolarHBondContact O-CG 3.47Å; R106-M110 PolarHBondContact O-N 3.46Å; R106-R128 VanDerWaalsContact CZ-CZ 3.43Å; R106-R128 VanDerWaalsContact NH1-NH2 3.17Å; R106-D130 IonicContact CZ-OD1 3.35Å; R106-D130 IonicContact CZ-OD2 3.47Å; R106-D130 IonicContact NH2-OD1 2.65Å; R106-D130 PolarHBondContact NH2-OD1 3Å; R106-D130 IonicContact NH2-OD2 2.67Å; R106-D130 PolarHBondContact NH2-OD2 3.07Å
107V94.7Very high96.3Very high45 Ų4592.8 Ų92.827%0.27345%0.45SS..Hα-helixtrans-60-47.6179172.10000111.1R103 R104 F105 M110 S111 P134R103-V107 WeakPolarHBondContact O-CG2 3.39Å; R103-V107 PolarHBondContact O-N 3.18Å; R104-V107 PolarHBondContact O-N 2.98Å; F105-V107 PolarHBondContact O-N 3.42Å; V107-M110 PolarHBondContact O-N 3.16Å; V107-S111 WeakPolarHBondContact O-CB 3.42Å; V107-S111 PolarHBondContact O-N 3.16Å; V107-P134 HydrophobicContact CG2-CG 4.3Å
108L96.7Very high96.1Very high105 Ų10594.7 Ų94.755%0.5546%0.456SS..Hα-helixtrans-63.7-44.8178.9-68.3173.1000112.2R104 F105 S111 E112R104-L108 HydrophobicContact CG-CD1 4.28Å; R104-L108 WeakPolarHBondContact O-CG 3.3Å; R104-L108 PolarHBondContact O-N 3.03Å; F105-L108 PolarHBondContact O-N 3.44Å; L108-S111 WeakPolarHBondContact O-CB 3.43Å; L108-S111 PolarHBondContact O-N 2.99Å; L108-E112 PolarHBondContact O-N 3.43Å
109L95.5Very high95.8Very high69 Ų6993.2 Ų93.236%0.36145%0.454SS..Hα-helixtrans-61.8-45.9177.8-179.564.2000111.2F105 R106 S111 E112 L113F105-L109 HydrophobicContact CE1-CD2 3.93Å; F105-L109 HydrophobicContact CZ-CB 4.44Å; F105-L109 HydrophobicContact CZ-CD2 4.03Å; F105-L109 VanDerWaalsContact O-CB 3.24Å; F105-L109 WeakPolarHBondContact O-CB 3.47Å; F105-L109 PolarHBondContact O-N 3.41Å; R106-L109 PolarHBondContact O-N 2.97Å; L109-S111 VanDerWaalsContact C-N 3.31Å; L109-S111 PolarHBondContact O-N 3.36Å; L109-E112 PolarHBondContact O-N 2.89Å; L109-L113 HydrophobicContact CD1-CD1 4.06Å; L109-L113 HydrophobicContact CD1-CG 4.14Å; L109-L113 HydrophobicContact CG-CD1 3.95Å; L109-L113 HydrophobicContact CG-CG 4.41Å; L109-L113 WeakPolarHBondContact O-CB 3.4Å; L109-L113 VanDerWaalsContact O-CG 3.31Å; L109-L113 WeakPolarHBondContact O-CG 3.23Å; L109-L113 PolarHBondContact O-N 3.41Å
110M92.3Very high95.7Very high28 Ų2894.3 Ų94.314%0.13846%0.458CS..Hα-helixtrans-62.5-39.1176.6-68.7-66.499.500111.5R106 V107 L113 S114 M121 Y124R106-M110 HydrophobicContact CG-CG 4.22Å; R106-M110 WeakPolarHBondContact O-CB 3.36Å; R106-M110 WeakPolarHBondContact O-CG 3.47Å; R106-M110 PolarHBondContact O-N 3.46Å; V107-M110 PolarHBondContact O-N 3.16Å; M110-L113 HydrophobicContact CE-CD1 3.95Å; M110-S114 VanDerWaalsContact O-CB 3.32Å; M110-S114 WeakPolarHBondContact O-CB 3.5Å; M110-S114 PolarHBondContact O-N 2.84Å; M110-S114 PolarHBondContact O-OG 2.91Å; M110-M121 HydrophobicContact CE-CE 4.34Å; M110-M121 HydrophobicContact SD-CE 3.64Å; M110-Y124 HydrophobicContact CE-CE1 4.31Å; M110-Y124 HydrophobicContact SD-CD1 4.44Å; M110-Y124 HydrophobicContact SD-CE1 3.84Å
111S94Very high95.4Very high78 Ų7891.3 Ų91.355%0.54544%0.441SS..Hα-helixtrans-62.4-48.7175.8-174.60000111.7V107 L108 L109 S114 R115V107-S111 WeakPolarHBondContact O-CB 3.42Å; V107-S111 PolarHBondContact O-N 3.16Å; L108-S111 WeakPolarHBondContact O-CB 3.43Å; L108-S111 PolarHBondContact O-N 2.99Å; L109-S111 VanDerWaalsContact C-N 3.31Å; L109-S111 PolarHBondContact O-N 3.36Å; S111-S114 PolarHBondContact O-N 2.88Å; S111-R115 PolarHBondContact O-N 3Å; S111-R115 VanDerWaalsContact O-N 3.16Å
112E96.6Very high95Very high81 Ų8190.3 Ų90.338%0.37944%0.438SS..Hα-helixtrans-69.6-41.6-177.9-173.757-157.300112.1L108 L109 S114 R115 Q116L108-E112 PolarHBondContact O-N 3.43Å; L109-E112 PolarHBondContact O-N 2.89Å; E112-S114 VanDerWaalsContact C-N 3.28Å; E112-S114 PolarHBondContact O-N 3.48Å; E112-R115 WeakPolarHBondContact O-CB 3.48Å; E112-R115 PolarHBondContact O-N 3.39Å; E112-R115 VanDerWaalsContact O-N 3.14Å; E112-R115 IonicContact OE1-CZ 3.69Å; E112-R115 IonicContact OE1-NE 3.57Å; E112-R115 PolarHBondContact OE1-NE 2.94Å; E112-R115 IonicContact OE1-NH2 2.66Å; E112-R115 PolarHBondContact OE1-NH2 3.12Å; E112-R115 IonicContact OE2-CZ 3.72Å; E112-R115 IonicContact OE2-NE 3.45Å; E112-R115 PolarHBondContact OE2-NE 3.36Å; E112-R115 IonicContact OE2-NH2 3.84Å; E112-R115 PolarHBondContact OE2-NH2 3.36Å; E112-Q116 WeakPolarHBondContact O-CG 3.38Å; E112-Q116 PolarHBondContact O-N 3.26Å; E112-Q116 WeakPolarHBondContact OE1-CG 3.41Å; E112-Q116 PolarHBondContact OE1-NE2 2.89Å
113L95.6Very high94.8Very high56 Ų5692.1 Ų92.129%0.29344%0.441SS..Hα-helixtrans-62.2-36.6173.7-72175.6000111.9L109 M110 R115 Q116 F117 M121L109-L113 HydrophobicContact CD1-CD1 4.06Å; L109-L113 HydrophobicContact CD1-CG 4.14Å; L109-L113 HydrophobicContact CG-CD1 3.95Å; L109-L113 HydrophobicContact CG-CG 4.41Å; L109-L113 WeakPolarHBondContact O-CB 3.4Å; L109-L113 VanDerWaalsContact O-CG 3.31Å; L109-L113 WeakPolarHBondContact O-CG 3.23Å; L109-L113 PolarHBondContact O-N 3.41Å; M110-L113 HydrophobicContact CE-CD1 3.95Å; L113-R115 VanDerWaalsContact C-N 3.25Å; L113-R115 PolarHBondContact O-N 3.03Å; L113-Q116 PolarHBondContact O-N 3.28Å; L113-F117 HydrophobicContact CD2-CD2 4.05Å; L113-F117 HydrophobicContact CD2-CE2 4.45Å; L113-F117 CarbonylContact O-C 3.44Å; L113-F117 WeakPolarHBondContact O-CA 3.09Å; L113-F117 PolarHBondContact O-N 3.18Å; L113-M121 HydrophobicContact CB-CE 4.39Å; L113-M121 HydrophobicContact CB-CG 3.86Å; L113-M121 HydrophobicContact CB-SD 3.59Å; L113-M121 VanDerWaalsContact CB-SD 3.59Å; L113-M121 HydrophobicContact CD1-SD 4.16Å; L113-M121 WeakPolarHBondContact O-CG 3.34Å
114S94.3Very high94.5Very high30 Ų3089.8 Ų89.821%0.2143%0.433CS..Hα-helixtrans-66.2-31176.5-58.70000112.6M110 S111 E112 R125M110-S114 VanDerWaalsContact O-CB 3.32Å; M110-S114 WeakPolarHBondContact O-CB 3.5Å; M110-S114 PolarHBondContact O-N 2.84Å; M110-S114 PolarHBondContact O-OG 2.91Å; S111-S114 PolarHBondContact O-N 2.88Å; E112-S114 VanDerWaalsContact C-N 3.28Å; E112-S114 PolarHBondContact O-N 3.48Å; S114-R125 PolarHBondContact OG-NH2 3.25Å
115R94.7Very high94Very high166 Ų16685.9 Ų85.963%0.62642%0.418SS*.Hα-helixtrans-74.3-40.9177.7-170.517874.191.8-10.1112.1S111 E112 L113S111-R115 PolarHBondContact O-N 3Å; S111-R115 VanDerWaalsContact O-N 3.16Å; E112-R115 WeakPolarHBondContact O-CB 3.48Å; E112-R115 PolarHBondContact O-N 3.39Å; E112-R115 VanDerWaalsContact O-N 3.14Å; E112-R115 IonicContact OE1-CZ 3.69Å; E112-R115 IonicContact OE1-NE 3.57Å; E112-R115 PolarHBondContact OE1-NE 2.94Å; E112-R115 IonicContact OE1-NH2 2.66Å; E112-R115 PolarHBondContact OE1-NH2 3.12Å; E112-R115 IonicContact OE2-CZ 3.72Å; E112-R115 IonicContact OE2-NE 3.45Å; E112-R115 PolarHBondContact OE2-NE 3.36Å; E112-R115 IonicContact OE2-NH2 3.84Å; E112-R115 PolarHBondContact OE2-NH2 3.36Å; L113-R115 VanDerWaalsContact C-N 3.25Å; L113-R115 PolarHBondContact O-N 3.03Å
116Q96.5Very high93.6Very high98 Ų9884 Ų8446%0.45843%0.426SS..Hα-helixtrans-88.6-34.4-175.4-61.1-66.9-6.900113.5E112 L113E112-Q116 WeakPolarHBondContact O-CG 3.38Å; E112-Q116 PolarHBondContact O-N 3.26Å; E112-Q116 WeakPolarHBondContact OE1-CG 3.41Å; E112-Q116 PolarHBondContact OE1-NE2 2.89Å; L113-Q116 PolarHBondContact O-N 3.28Å
117F95.4Very high93.3Very high111 Ų11185.4 Ų85.449%0.48745%0.446SS..  trans-133.365-172.2-56.9-76.2000111.6L113 N119 E120 M121L113-F117 HydrophobicContact CD2-CD2 4.05Å; L113-F117 HydrophobicContact CD2-CE2 4.45Å; L113-F117 CarbonylContact O-C 3.44Å; L113-F117 WeakPolarHBondContact O-CA 3.09Å; L113-F117 PolarHBondContact O-N 3.18Å; F117-N119 PolarHBondContact O-N 3.09Å; F117-E120 HydrophobicContact CB-CB 4.07Å; F117-E120 HydrophobicContact CB-CG 4.37Å; F117-E120 WeakPolarHBondContact CB-OE2 3.44Å; F117-E120 PolarHBondContact O-N 2.88Å; F117-M121 WeakPolarHBondContact O-CB 3.47Å; F117-M121 WeakPolarHBondContact O-CG 3.3Å; F117-M121 PolarHBondContact O-N 3.32Å
118P93.8Very high92.8Very high75 Ų7588.1 Ų88.149%0.48745%0.451SS..Hα-helixtrans-63-38.5-171.823.5-33.8000113.4A122P118-A122 WeakPolarHBondContact O-CB 3.48Å; P118-A122 PolarHBondContact O-N 3.36Å
119N93.3Very high91.5Very high114 Ų11486.1 Ų86.161%0.6146%0.455SS*.Hα-helixtrans-70.6-43.1-178.1-66.5-35000111.6F117 A122 K123F117-N119 PolarHBondContact O-N 3.09Å; N119-A122 PolarHBondContact O-N 3.38Å; N119-K123 WeakPolarHBondContact O-CG 3.41Å; N119-K123 PolarHBondContact O-N 2.77Å; N119-K123 VanDerWaalsContact O-N 3.15Å
120E94.2Very high89.9Confident101 Ų10184.9 Ų84.947%0.47245%0.449SS..Hα-helixtrans-65.3-42.1177.2-65.967-152.600110.4F117 A122 K123 Y124F117-E120 HydrophobicContact CB-CB 4.07Å; F117-E120 HydrophobicContact CB-CG 4.37Å; F117-E120 WeakPolarHBondContact CB-OE2 3.44Å; F117-E120 PolarHBondContact O-N 2.88Å; E120-A122 VanDerWaalsContact C-N 3.35Å; E120-A122 PolarHBondContact O-N 2.92Å; E120-K123 PolarHBondContact O-N 2.92Å; E120-Y124 WeakPolarHBondContact O-CB 3.33Å; E120-Y124 PolarHBondContact O-N 3.46Å
121M93.3Very high88.1Confident10 Ų1089 Ų895%0.04948%0.478CS..Hα-helixtrans-66.8-34.5176.7-77-62.7-61.200113M110 L113 F117 Y124 R125M110-M121 HydrophobicContact CE-CE 4.34Å; M110-M121 HydrophobicContact SD-CE 3.64Å; L113-M121 HydrophobicContact CB-CE 4.39Å; L113-M121 HydrophobicContact CB-CG 3.86Å; L113-M121 HydrophobicContact CB-SD 3.59Å; L113-M121 VanDerWaalsContact CB-SD 3.59Å; L113-M121 HydrophobicContact CD1-SD 4.16Å; L113-M121 WeakPolarHBondContact O-CG 3.34Å; F117-M121 WeakPolarHBondContact O-CB 3.47Å; F117-M121 WeakPolarHBondContact O-CG 3.3Å; F117-M121 PolarHBondContact O-N 3.32Å; M121-Y124 HydrophobicContact CE-CD1 4.22Å; M121-Y124 PolarHBondContact O-N 2.88Å; M121-Y124 HydrophobicContact SD-CD1 4.35Å; M121-R125 WeakPolarHBondContact O-CB 3.41Å; M121-R125 WeakPolarHBondContact O-CG 3.36Å; M121-R125 PolarHBondContact O-N 3.44Å
122A89.9Confident86.2Confident60 Ų6094.2 Ų94.250%0.49649%0.494SS..Hα-helixtrans-62.3-45.2171.900000111.5P118 N119 E120 R125 A126P118-A122 WeakPolarHBondContact O-CB 3.48Å; P118-A122 PolarHBondContact O-N 3.36Å; N119-A122 PolarHBondContact O-N 3.38Å; E120-A122 VanDerWaalsContact C-N 3.35Å; E120-A122 PolarHBondContact O-N 2.92Å; A122-R125 PolarHBondContact O-N 3.03Å; A122-A126 PolarHBondContact O-N 2.92Å; A122-A126 VanDerWaalsContact O-N 3.13Å
123K92.1Very high84Confident150 Ų15093 Ų9365%0.65250%0.498SS*.Hα-helixtrans-61.5-44.7173.9-67.1173.7-175.8174.40111.8N119 E120 A126 V127N119-K123 WeakPolarHBondContact O-CG 3.41Å; N119-K123 PolarHBondContact O-N 2.77Å; N119-K123 VanDerWaalsContact O-N 3.15Å; E120-K123 PolarHBondContact O-N 2.92Å; K123-A126 PolarHBondContact O-N 3.31Å; K123-V127 PolarHBondContact O-N 2.85Å
124Y90.7Very high81.7Confident94 Ų9495 Ų9537%0.36951%0.514SS..Hα-helixtrans-60.2-47.5178.5175.7-102.1000112.2M110 E120 M121 A126 V127 R128M110-Y124 HydrophobicContact CE-CE1 4.31Å; M110-Y124 HydrophobicContact SD-CD1 4.44Å; M110-Y124 HydrophobicContact SD-CE1 3.84Å; E120-Y124 WeakPolarHBondContact O-CB 3.33Å; E120-Y124 PolarHBondContact O-N 3.46Å; M121-Y124 HydrophobicContact CE-CD1 4.22Å; M121-Y124 PolarHBondContact O-N 2.88Å; M121-Y124 HydrophobicContact SD-CD1 4.35Å; Y124-A126 VanDerWaalsContact C-N 3.31Å; Y124-A126 PolarHBondContact O-N 3.48Å; Y124-V127 PolarHBondContact O-N 3.03Å; Y124-R128 HydrophobicContact CE1-CB 4.43Å; Y124-R128 WeakPolarHBondContact O-CB 3.43Å; Y124-R128 PolarHBondContact O-N 3.5Å; Y124-R128 WeakPolarHBondContact OH-CD 3.48Å; Y124-R128 PolarHBondContact OH-NE 2.99Å; Y124-R128 PolarHBondContact OH-NH1 3.17Å
125R88.4Confident79.3Confident106 Ų10699.8 Ų99.840%0.454%0.542SS..Hα-helixtrans-61.9-38.4178.3-74.8-179.3-178123.2-0.8112.5S114 M121 A122 V127 R128 G129S114-R125 PolarHBondContact OG-NH2 3.25Å; M121-R125 WeakPolarHBondContact O-CB 3.41Å; M121-R125 WeakPolarHBondContact O-CG 3.36Å; M121-R125 PolarHBondContact O-N 3.44Å; A122-R125 PolarHBondContact O-N 3.03Å; R125-V127 VanDerWaalsContact C-N 3.28Å; R125-V127 PolarHBondContact O-N 3.19Å; R125-R128 PolarHBondContact O-N 3.48Å; R125-G129 PolarHBondContact O-N 3.24Å; R125-G129 VanDerWaalsContact O-N 3.12Å
126A87.9Confident77Confident85 Ų85100.3 Ų100.370%0.70256%0.557SS**Hα-helixtrans-61.9-34.6176.900000112.7A122 K123 Y124A122-A126 PolarHBondContact O-N 2.92Å; A122-A126 VanDerWaalsContact O-N 3.13Å; K123-A126 PolarHBondContact O-N 3.31Å; Y124-A126 VanDerWaalsContact C-N 3.31Å; Y124-A126 PolarHBondContact O-N 3.48Å
127V89.5Confident74.1Confident132 Ų13298 Ų9880%0.856%0.559SS**Hα-helixtrans-83.1-37.6179.2178.70000112.2K123 Y124 R125K123-V127 PolarHBondContact O-N 2.85Å; Y124-V127 PolarHBondContact O-N 3.03Å; R125-V127 VanDerWaalsContact C-N 3.28Å; R125-V127 PolarHBondContact O-N 3.19Å
128R83.9Confident71.5Confident101 Ų101100.8 Ų100.838%0.38157%0.573SS.*Hα-helixtrans-81.7-23.3-173.2-154.2-153.4-179.4164.112.7113.8R106 Y124 R125 D130R106-R128 VanDerWaalsContact CZ-CZ 3.43Å; R106-R128 VanDerWaalsContact NH1-NH2 3.17Å; Y124-R128 HydrophobicContact CE1-CB 4.43Å; Y124-R128 WeakPolarHBondContact O-CB 3.43Å; Y124-R128 PolarHBondContact O-N 3.5Å; Y124-R128 WeakPolarHBondContact OH-CD 3.48Å; Y124-R128 PolarHBondContact OH-NE 2.99Å; Y124-R128 PolarHBondContact OH-NH1 3.17Å; R125-R128 PolarHBondContact O-N 3.48Å; R128-D130 VanDerWaalsContact C-N 3.25Å; R128-D130 WeakPolarHBondContact CD-OD1 3.46Å; R128-D130 VanDerWaalsContact CD-OD2 3.25Å; R128-D130 WeakPolarHBondContact CD-OD2 3.5Å; R128-D130 IonicContact CZ-OD1 3.61Å; R128-D130 IonicContact CZ-OD2 3.19Å; R128-D130 IonicContact NE-OD1 2.97Å; R128-D130 PolarHBondContact NE-OD1 3Å; R128-D130 IonicContact NE-OD2 3.34Å; R128-D130 IonicContact NH1-OD1 3.33Å; R128-D130 IonicContact NH1-OD2 3.47Å; R128-D130 PolarHBondContact NH1-OD2 2.8Å; R128-D130 PolarHBondContact O-N 3.4Å
129G69.5Low68.6Low63 Ų63102.3 Ų102.365%0.64959%0.592SS**THydrogen-bonded Turntrans66.225.5-175.800000113.9R125R125-G129 PolarHBondContact O-N 3.24Å; R125-G129 VanDerWaalsContact O-N 3.12Å
130D62.3Low66.3Low44 Ų44104.4 Ų104.424%0.23560%0.6CS.*PPolyproline II helixtrans-67.6128.8179.7-102.7-0.1000111R106 R128R106-D130 IonicContact CZ-OD1 3.35Å; R106-D130 IonicContact CZ-OD2 3.47Å; R106-D130 IonicContact NH2-OD1 2.65Å; R106-D130 PolarHBondContact NH2-OD1 3Å; R106-D130 IonicContact NH2-OD2 2.67Å; R106-D130 PolarHBondContact NH2-OD2 3.07Å; R128-D130 VanDerWaalsContact C-N 3.25Å; R128-D130 WeakPolarHBondContact CD-OD1 3.46Å; R128-D130 VanDerWaalsContact CD-OD2 3.25Å; R128-D130 WeakPolarHBondContact CD-OD2 3.5Å; R128-D130 IonicContact CZ-OD1 3.61Å; R128-D130 IonicContact CZ-OD2 3.19Å; R128-D130 IonicContact NE-OD1 2.97Å; R128-D130 PolarHBondContact NE-OD1 3Å; R128-D130 IonicContact NE-OD2 3.34Å; R128-D130 IonicContact NH1-OD1 3.33Å; R128-D130 IonicContact NH1-OD2 3.47Å; R128-D130 PolarHBondContact NH1-OD2 2.8Å; R128-D130 PolarHBondContact O-N 3.4Å
131P55.3Low63.5Low114 Ų114105.2 Ų105.274%0.7462%0.616SS**PPolyproline II helixtrans-63.3145.4165.827.4-31.3000109.3
132E53Low61.1Low188 Ų188110.3 Ų110.388%0.87965%0.653SS**PPolyproline II helixtrans-46.5140.2-179-155.7168.5-169.700111.4
133A51.4Low58.7Low55 Ų55114 Ų11446%0.45566%0.664SS.*PPolyproline II helixtrans-49.6134.8-173.200000110.7T135A133-T135 PolarHBondContact O-N 3.22Å
134P46.3Very low56.6Low97 Ų97112.2 Ų112.263%0.6367%0.671SS**  trans-61.8112.6177.324.8-30.6000107.5V107 L136V107-P134 HydrophobicContact CG2-CG 4.3Å; P134-L136 PolarHBondContact O-N 2.99Å; P134-L136 VanDerWaalsContact O-N 3.08Å
135T43.3Very low54.5Low131 Ų131115.9 Ų115.980%0.80469%0.692SS**  trans-57.1114.9169.948.10000107A133 G137A133-T135 PolarHBondContact O-N 3.22Å; T135-G137 PolarHBondContact O-N 3.34Å
136L46.3Very low52.7Low178 Ų178116.4 Ų116.493%0.93271%0.711SS**  trans-63.382.8161-91.9138.2000106.9P134P134-L136 PolarHBondContact O-N 2.99Å; P134-L136 VanDerWaalsContact O-N 3.08Å
137G37.4Very low50.7Low49 Ų49120.2 Ų120.251%0.50572%0.72SS.*  trans-132.3113-17400000110.5T135T135-G137 PolarHBondContact O-N 3.34Å
138H38.9Very low48.6Very low170 Ų170117.8 Ų117.879%0.78772%0.722SS**  trans64.695.9158.6-74.575.1000118.6M140H138-M140 HydrophobicContact CB-CG 4.43Å; H138-M140 PolarHBondContact O-N 3.33Å
139A34.7Very low46.8Very low106 Ų106119 Ų11988%0.87675%0.745SS**  trans-51.9109.8139.100000109.6
140M43.6Very low45.9Very low159 Ų159119.2 Ų119.278%0.78375%0.748SS**  trans-144.7104.5159.4-70.3-165.795.400110H138H138-M140 HydrophobicContact CB-CG 4.43Å; H138-M140 PolarHBondContact O-N 3.33Å
141S35.4Very low45.7Very low117 Ų117122.5 Ų122.582%0.81877%0.769SS**  trans46.499.2136.3-145.90000118.5
142S43.5Very low45.4Very low117 Ų117125.5 Ų125.582%0.81877%0.774SS**  trans-136.698.6137.850.10000109S144S142-S144 PolarHBondContact O-N 3.34Å
143N39.5Very low45.7Very low138 Ų138122.7 Ų122.774%0.73877%0.77SS**  trans-65.3121.3169.2-157.125000107.7
144S49Very low45.5Very low113 Ų113123.8 Ų123.879%0.7979%0.786SS**  trans-133100.8165.6-72.30000107.5S142 S146S142-S144 PolarHBondContact O-N 3.34Å; S144-S146 PolarHBondContact O-N 3.05Å
145Q45.8Very low45.5Very low171 Ų171125.4 Ų125.480%0.79980%0.796SS**  trans-59.5124.7174.2-75.7162.4-53.300110.2
146S49.5Very low45.9Very low117 Ų117128.3 Ų128.382%0.81880%0.801SS**  trans-139.3103.5148.670.30000108.6S144S144-S146 PolarHBondContact O-N 3.05Å
147N45.9Very low46Very low165 Ų165125.2 Ų125.288%0.88279%0.794SS**  trans-68.4133.4173.4-80.7-17.9000110.4
148G46Very low46.9Very low81 Ų81128.7 Ų128.784%0.83581%0.806SS**  trans-157.787.1169.900000110.1
149S46.6Very low47.2Very low126 Ų126126.1 Ų126.188%0.88181%0.806SS**  trans-64.2142.8-177.1152.50000114.1
150G50.8Low48.3Very low68 Ų68128.4 Ų128.470%0.70180%0.803SS**  trans177.977167.300000114.2
151T56.7Low48.8Very low112 Ų112135.7 Ų135.769%0.68782%0.822SS**  trans-12.8128.2162.743.70000120
152E50.3Low49.4Very low177 Ų177136.7 Ų136.783%0.82782%0.822SS**  73.3132110.9-65.5-171.4123.600114.5
153T58Low49.7Very low130 Ų130137.7 Ų137.780%0.79882%0.822SS**  cis-160.1134.336.8460000108.4
154G47.3Very low50.3Low77 Ų77137.7 Ų137.779%0.79483%0.827SS**  10512395.600000112.5
155P46.1Very low50.4Low131 Ų131139.1 Ų139.185%0.85183%0.829SS**  trans-101.8142-173.236.3-28.2000112.8
156E52.5Low50.7Low192 Ų192137.1 Ų137.190%0.89783%0.831SS**  trans-122.2120157.4-74.8-144.5144.700111.2
157S48.9Very low50.8Low113 Ų113138.5 Ų138.579%0.7983%0.832SS**  trans-68.3131.5165.645.90000111.4
158V55.4Low51.1Low123 Ų123136.6 Ų136.675%0.74583%0.828SS**  trans-135.5111.1151.4-178.30000109.3L160V158-L160 HydrophobicContact CG1-CD1 4.21Å; V158-L160 HydrophobicContact CG1-CG 4.21Å
159S46.2Very low51.5Low115 Ų115140.8 Ų140.880%0.80483%0.828SS**  trans-80.3126.5161.4-1780000107.8
160L58.1Low51.9Low154 Ų154142.1 Ų142.181%0.80682%0.823SS**  trans-136.6135.1159.5-88.4167.2000109.4V158V158-L160 HydrophobicContact CG1-CD1 4.21Å; V158-L160 HydrophobicContact CG1-CG 4.21Å
161R52.7Low52Low313 Ų313148.8 Ų148.8100%1.18184%0.835SS**  trans-46.20166.1-80.6174.5163.9173.6-5.4113

Retrieved 161 of 161 residues in 57 ms (Link to these results)