A0A061ACG4_CAEEL Loading...

Ras-related GTP-binding protein C

AlphaFold DB , UniProt , Accession A0A061ACG4, Species CAEEL (Caenorhabditis elegans), Gene ragc-1, Length 96 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M71.8Confident92.8Very high212 Ų21288.5 Ų88.5100%1.04445%0.452SS*.  0-55.80-100.6168.1109.600111.2I3 Y4 E5M1-I3 PolarHBondContact O-N 2.69Å; M1-Y4 WeakPolarHBondContact O-CB 3.42Å; M1-Y4 PolarHBondContact O-N 3.03Å; M1-E5 PolarHBondContact O-N 2.94Å
2S87.4Confident93.2Very high90 Ų9088.5 Ų88.563%0.62945%0.454SS*.Hα-helixtrans-57.5-42.8-177.955.90000115.8Y4 E5 L6S2-Y4 VanDerWaalsContact C-N 3.32Å; S2-Y4 PolarHBondContact O-N 3.31Å; S2-E5 PolarHBondContact O-N 2.68Å; S2-L6 WeakPolarHBondContact O-CB 3.5Å; S2-L6 PolarHBondContact O-N 2.94Å
3I91Very high93.5Very high108 Ų10887.5 Ų87.555%0.55445%0.454SS*.Hα-helixtrans-64.7-37.8178.9-68.9171000111.8M1 L6 C7 I60M1-I3 PolarHBondContact O-N 2.69Å; I3-L6 PolarHBondContact O-N 2.78Å; I3-C7 PolarHBondContact O-N 3.46Å; I3-C7 PolarHBondContact O-SG 3.29Å; I3-I60 HydrophobicContact CG2-CD1 3.7Å
4Y95Very high93.8Very high176 Ų17682 Ų8269%0.6943%0.426SS*.Hα-helixtrans-64.5-45.4178.4170.2-92.7000110.8M1 S2 C7 C8M1-Y4 WeakPolarHBondContact O-CB 3.42Å; M1-Y4 PolarHBondContact O-N 3.03Å; S2-Y4 VanDerWaalsContact C-N 3.32Å; S2-Y4 PolarHBondContact O-N 3.31Å; Y4-C7 WeakPolarHBondContact O-CB 3.45Å; Y4-C7 PolarHBondContact O-N 2.82Å; Y4-C8 PolarHBondContact O-N 3.1Å; Y4-C8 PolarHBondContact O-SG 2.83Å; Y4-C8 VanDerWaalsContact O-SG 3.41Å
5E96.8Very high93.9Very high121 Ų12180.1 Ų80.157%0.56542%0.416SS*.Hα-helixtrans-61-45176.1-171.4172.1-160.500111.4M1 S2 C7 C8 D9M1-E5 PolarHBondContact O-N 2.94Å; S2-E5 PolarHBondContact O-N 2.68Å; E5-C7 VanDerWaalsContact C-N 3.29Å; E5-C7 PolarHBondContact O-N 3.24Å; E5-C8 WeakPolarHBondContact O-CA 3.49Å; E5-C8 VanDerWaalsContact O-CB 3.29Å; E5-C8 WeakPolarHBondContact O-CB 3.5Å; E5-C8 PolarHBondContact O-N 3.36Å; E5-D9 PolarHBondContact O-N 3.38Å
6L94.9Very high94.1Very high60 Ų6081.6 Ų81.631%0.31443%0.425SS..Hα-helixtrans-60.2-38175.2-174.364.4000112.7S2 I3 D9 M10 L40 M46S2-L6 WeakPolarHBondContact O-CB 3.5Å; S2-L6 PolarHBondContact O-N 2.94Å; I3-L6 PolarHBondContact O-N 2.78Å; L6-D9 PolarHBondContact O-N 2.84Å; L6-M10 PolarHBondContact O-N 3Å; L6-L40 HydrophobicContact CD2-CD1 3.92Å; L6-M46 HydrophobicContact CD1-SD 4.31Å; L6-M46 HydrophobicContact CD2-CE 4.22Å; L6-M46 HydrophobicContact CD2-SD 3.82Å; L6-M46 HydrophobicContact CG-CE 3.78Å; L6-M46 HydrophobicContact CG-SD 3.74Å
7C96.4Very high94.2Very high22 Ų2282.4 Ų82.415%0.14943%0.429CS..Hα-helixtrans-66.9-35173.3-70.10000112.4I3 Y4 E5 M10 I11 V58I3-C7 PolarHBondContact O-N 3.46Å; I3-C7 PolarHBondContact O-SG 3.29Å; Y4-C7 WeakPolarHBondContact O-CB 3.45Å; Y4-C7 PolarHBondContact O-N 2.82Å; E5-C7 VanDerWaalsContact C-N 3.29Å; E5-C7 PolarHBondContact O-N 3.24Å; C7-M10 PolarHBondContact O-N 2.91Å; C7-I11 WeakPolarHBondContact O-CG1 3.34Å; C7-I11 PolarHBondContact O-N 3.27Å; C7-V58 HydrophobicContact CB-CB 4.39Å; C7-V58 HydrophobicContact CB-CG1 3.91Å
8C96.9Very high94.2Very high40 Ų4079.3 Ų79.327%0.2742%0.416SS..Hα-helixtrans-63.3-49172.3-68.30000110.6Y4 E5 M10 I11 D12Y4-C8 PolarHBondContact O-N 3.1Å; Y4-C8 PolarHBondContact O-SG 2.83Å; Y4-C8 VanDerWaalsContact O-SG 3.41Å; E5-C8 WeakPolarHBondContact O-CA 3.49Å; E5-C8 VanDerWaalsContact O-CB 3.29Å; E5-C8 WeakPolarHBondContact O-CB 3.5Å; E5-C8 PolarHBondContact O-N 3.36Å; C8-M10 PolarHBondContact O-N 3.31Å; C8-I11 WeakPolarHBondContact O-CB 3.47Å; C8-I11 PolarHBondContact O-N 2.9Å; C8-D12 PolarHBondContact O-N 3.19Å
9D97Very high94.2Very high83 Ų8377.8 Ų77.844%0.44441%0.413SS..Hα-helixtrans-57.2-38.6176.9-63.3-19.3000111.6E5 L6 I11 D12 V13E5-D9 PolarHBondContact O-N 3.38Å; L6-D9 PolarHBondContact O-N 2.84Å; D9-I11 VanDerWaalsContact C-N 3.33Å; D9-I11 PolarHBondContact O-N 2.85Å; D9-D12 PolarHBondContact O-N 2.95Å; D9-V13 WeakPolarHBondContact O-CB 3.43Å; D9-V13 VanDerWaalsContact O-CG2 3.3Å; D9-V13 WeakPolarHBondContact O-CG2 3.31Å; D9-V13 PolarHBondContact O-N 2.96Å
10M96.7Very high94.3Very high4 Ų479.8 Ų79.82%0.0242%0.422CS..Hα-helixtrans-61.5-40.6175.3178.1176.8-160.300112.6L6 C7 C8 T14 I38 M46 L48 V58L6-M10 PolarHBondContact O-N 3Å; C7-M10 PolarHBondContact O-N 2.91Å; C8-M10 PolarHBondContact O-N 3.31Å; M10-T14 WeakPolarHBondContact O-CB 3.47Å; M10-T14 PolarHBondContact O-N 3.49Å; M10-T14 PolarHBondContact O-OG1 3.37Å; M10-I38 HydrophobicContact CB-CD1 4.44Å; M10-I38 HydrophobicContact CE-CB 4.45Å; M10-I38 HydrophobicContact CE-CD1 4.15Å; M10-I38 HydrophobicContact CE-CG1 3.99Å; M10-I38 HydrophobicContact CG-CD1 3.88Å; M10-M46 HydrophobicContact CB-CE 3.79Å; M10-M46 HydrophobicContact CE-CB 3.92Å; M10-M46 WeakPolarHBondContact CE-O 3.36Å; M10-M46 HydrophobicContact CG-CE 4.34Å; M10-M46 HydrophobicContact SD-CB 3.53Å; M10-M46 VanDerWaalsContact SD-CB 3.53Å; M10-M46 HydrophobicContact SD-CE 3.78Å; M10-M46 HydrophobicContact SD-SD 4.46Å; M10-L48 HydrophobicContact CE-CB 3.74Å; M10-L48 HydrophobicContact SD-CB 4.17Å; M10-V58 HydrophobicContact SD-CG1 3.73Å
11I97.3Very high94.2Very high58 Ų5885.3 Ų85.330%0.29744%0.439SS..Hα-helixtrans-65.5-47.6178.8-67.7164.6000109.4C7 C8 D9 T14 L15 L48 V58C7-I11 WeakPolarHBondContact O-CG1 3.34Å; C7-I11 PolarHBondContact O-N 3.27Å; C8-I11 WeakPolarHBondContact O-CB 3.47Å; C8-I11 PolarHBondContact O-N 2.9Å; D9-I11 VanDerWaalsContact C-N 3.33Å; D9-I11 PolarHBondContact O-N 2.85Å; I11-T14 PolarHBondContact O-N 3.45Å; I11-L15 HydrophobicContact CG2-CD1 3.74Å; I11-L15 HydrophobicContact CG2-CG 4.26Å; I11-L15 WeakPolarHBondContact O-CB 3.46Å; I11-L15 WeakPolarHBondContact O-CG 3.34Å; I11-L15 PolarHBondContact O-N 3.42Å; I11-L48 HydrophobicContact CG1-CD1 3.87Å; I11-V58 HydrophobicContact CD1-CG2 4.1Å; I11-V58 HydrophobicContact CG1-CG2 3.97Å
12D97.5Very high95.1Very high88 Ų8877 Ų7747%0.47141%0.407SS..Hα-helixtrans-59.7-50.9-179.7-68.5-15.6000111C8 D9 T14 L15 D16C8-D12 PolarHBondContact O-N 3.19Å; D9-D12 PolarHBondContact O-N 2.95Å; D12-T14 VanDerWaalsContact C-N 3.27Å; D12-T14 PolarHBondContact O-N 2.95Å; D12-L15 PolarHBondContact O-N 2.83Å; D12-D16 WeakPolarHBondContact O-CB 3.44Å; D12-D16 VanDerWaalsContact O-CG 3.27Å; D12-D16 PolarHBondContact O-N 3.44Å
13V97.4Very high95Very high75 Ų7576.3 Ų76.346%0.45540%0.4SS..Hα-helixtrans-56.4-42.9176.31700000111.7D9 L17D9-V13 WeakPolarHBondContact O-CB 3.43Å; D9-V13 VanDerWaalsContact O-CG2 3.3Å; D9-V13 WeakPolarHBondContact O-CG2 3.31Å; D9-V13 PolarHBondContact O-N 2.96Å; V13-L17 HydrophobicContact CG1-CD1 4.06Å; V13-L17 WeakPolarHBondContact O-CB 3.45Å; V13-L17 VanDerWaalsContact O-CG 3.28Å; V13-L17 WeakPolarHBondContact O-CG 3.36Å; V13-L17 PolarHBondContact O-N 3.18Å
14T96.8Very high94.2Very high11 Ų1173 Ų737%0.06739%0.388CS..Hα-helixtrans-67-44-178.6-59.10000111.3M10 I11 D12 S18 S36 L48M10-T14 WeakPolarHBondContact O-CB 3.47Å; M10-T14 PolarHBondContact O-N 3.49Å; M10-T14 PolarHBondContact O-OG1 3.37Å; I11-T14 PolarHBondContact O-N 3.45Å; D12-T14 VanDerWaalsContact C-N 3.27Å; D12-T14 PolarHBondContact O-N 2.95Å; T14-S18 WeakPolarHBondContact O-CB 3.41Å; T14-S18 PolarHBondContact O-N 2.83Å; T14-S18 PolarHBondContact O-OG 2.96Å; T14-S36 VanDerWaalsContact OG1-CB 3.3Å; T14-S36 WeakPolarHBondContact OG1-CB 3.45Å; T14-S36 PolarHBondContact OG1-OG 2.85Å; T14-L48 HydrophobicContact CG2-CD1 4.36Å; T14-L48 HydrophobicContact CG2-CD2 4.39Å
15L95.6Very high93.1Very high53 Ų5374.7 Ų74.728%0.27740%0.402SS..Hα-helixtrans-73.9-39-178.2-69.7179.4000112.3I11 D12 S18 S19 Y30I11-L15 HydrophobicContact CG2-CD1 3.74Å; I11-L15 HydrophobicContact CG2-CG 4.26Å; I11-L15 WeakPolarHBondContact O-CB 3.46Å; I11-L15 WeakPolarHBondContact O-CG 3.34Å; I11-L15 PolarHBondContact O-N 3.42Å; D12-L15 PolarHBondContact O-N 2.83Å; L15-S18 CarbonylContact O-C 3.57Å; L15-S18 PolarHBondContact O-N 2.82Å; L15-S19 WeakPolarHBondContact O-CB 3.47Å; L15-S19 PolarHBondContact O-N 3.25Å; L15-S19 PolarHBondContact O-OG 3.2Å; L15-Y30 HydrophobicContact CD2-CD2 4.12Å; L15-Y30 HydrophobicContact CD2-CG 4.4Å
16D96.7Very high92.1Very high104 Ų10474.9 Ų74.956%0.55641%0.407SS*.Hα-helixtrans-63.3-45.2177.5-73.1-15.2000111.1D12 S18 S19 I20D12-D16 WeakPolarHBondContact O-CB 3.44Å; D12-D16 VanDerWaalsContact O-CG 3.27Å; D12-D16 PolarHBondContact O-N 3.44Å; D16-S18 PolarHBondContact O-N 3.43Å; D16-S19 WeakPolarHBondContact O-CB 3.48Å; D16-S19 PolarHBondContact O-N 2.97Å; D16-S19 VanDerWaalsContact O-N 3.16Å; D16-I20 PolarHBondContact O-N 3.46Å
17L95.8Very high91.4Very high95 Ų9574.7 Ų74.750%0.49742%0.42SS..Hα-helixtrans-62.6-42.5173.6-72.1174.8000112.1V13 S19 I20 Y21V13-L17 HydrophobicContact CG1-CD1 4.06Å; V13-L17 WeakPolarHBondContact O-CB 3.45Å; V13-L17 VanDerWaalsContact O-CG 3.28Å; V13-L17 WeakPolarHBondContact O-CG 3.36Å; V13-L17 PolarHBondContact O-N 3.18Å; L17-S19 PolarHBondContact O-N 3.38Å; L17-I20 PolarHBondContact O-N 3.41Å; L17-Y21 PolarHBondContact O-N 3.05Å
18S95.3Very high91Very high28 Ų2875.5 Ų75.520%0.19643%0.426CS..Hα-helixtrans-65.4-26.5176.7-57.60000112T14 L15 D16 I20 G22 V23 N29T14-S18 WeakPolarHBondContact O-CB 3.41Å; T14-S18 PolarHBondContact O-N 2.83Å; T14-S18 PolarHBondContact O-OG 2.96Å; L15-S18 CarbonylContact O-C 3.57Å; L15-S18 PolarHBondContact O-N 2.82Å; D16-S18 PolarHBondContact O-N 3.43Å; S18-I20 VanDerWaalsContact C-N 3.34Å; S18-G22 CarbonylContact O-C 3.55Å; S18-G22 WeakPolarHBondContact O-CA 3.46Å; S18-G22 PolarHBondContact O-N 3.03Å; S18-V23 PolarHBondContact O-N 3.06Å; S18-N29 WeakPolarHBondContact CB-O 3.37Å
19S94.6Very high90.8Very high51 Ų5176.1 Ų76.136%0.35743%0.426SS..Hα-helixtrans-74.9-24.7176.2-56.20000112.9L15 D16 L17 V23 N29L15-S19 WeakPolarHBondContact O-CB 3.47Å; L15-S19 PolarHBondContact O-N 3.25Å; L15-S19 PolarHBondContact O-OG 3.2Å; D16-S19 WeakPolarHBondContact O-CB 3.48Å; D16-S19 PolarHBondContact O-N 2.97Å; D16-S19 VanDerWaalsContact O-N 3.16Å; L17-S19 PolarHBondContact O-N 3.38Å; S19-V23 WeakPolarHBondContact O-CG2 3.49Å; S19-N29 PolarHBondContact OG-ND2 2.98Å
20I94.4Very high90.6Very high116 Ų11674 Ų7460%0.59541%0.412SS*.Hα-helixtrans-87.6-44.7176.7-59.8169000110.4D16 L17 S18D16-I20 PolarHBondContact O-N 3.46Å; L17-I20 PolarHBondContact O-N 3.41Å; S18-I20 VanDerWaalsContact C-N 3.34Å
21Y94.1Very high90.5Very high196 Ų19677 Ų7777%0.76943%0.428SS*.Hα-helixtrans-120.2-12.8-167.5-58.5-69.3000115.1L17L17-Y21 PolarHBondContact O-N 3.05Å
22G88.8Confident90.3Very high37 Ų3782 Ų8238%0.38145%0.45SS..  trans-112.86-172.500000114.6S18 A24S18-G22 CarbonylContact O-C 3.55Å; S18-G22 WeakPolarHBondContact O-CA 3.46Å; S18-G22 PolarHBondContact O-N 3.03Å; G22-A24 PolarHBondContact O-N 3.28Å; G22-A24 VanDerWaalsContact O-N 3.08Å
23V85.5Confident90Very high77 Ų7788.1 Ų88.147%0.46747%0.467SS..  trans-67.4110.6179.9-179.70000108.8S18 S19 N29S18-V23 PolarHBondContact O-N 3.06Å; S19-V23 WeakPolarHBondContact O-CG2 3.49Å; V23-N29 HydrophobicContact CG2-CB 4.49Å
24A74.3Confident89.9Confident37 Ų3785.4 Ų85.431%0.30645%0.451SS..  trans-70.6163.7172.300000110.4G22 N26 G27 S28G22-A24 PolarHBondContact O-N 3.28Å; G22-A24 VanDerWaalsContact O-N 3.08Å; A24-N26 WeakPolarHBondContact CB-OD1 3.42Å; A24-N26 PolarHBondContact O-N 3.49Å; A24-G27 PolarHBondContact O-N 3.45Å; A24-S28 PolarHBondContact N-O 3.48Å
25E73Confident89.8Confident212 Ų21288 Ų8899%0.99147%0.47SS*.THydrogen-bonded Turntrans-55.8-21-178.7-63-171.7162.600113.7G27E25-G27 VanDerWaalsContact C-N 3.3Å; E25-G27 PolarHBondContact O-N 3.09Å
26N74.9Confident89.8Confident125 Ų12586.8 Ų86.867%0.66847%0.466SS*.THydrogen-bonded Turntrans-81.9-0.2176.265.66.2000114.4A24 S28A24-N26 WeakPolarHBondContact CB-OD1 3.42Å; A24-N26 PolarHBondContact O-N 3.49Å; N26-S28 VanDerWaalsContact C-N 3.31Å; N26-S28 PolarHBondContact O-N 2.97Å; N26-S28 WeakPolarHBondContact OD1-CB 3.5Å; N26-S28 PolarHBondContact OD1-N 3.4Å
27G81.2Confident89.7Confident56 Ų5685 Ų8558%0.57746%0.459SS*.SBendtrans78.16.6-178.700000115.1A24 E25A24-G27 PolarHBondContact O-N 3.45Å; E25-G27 VanDerWaalsContact C-N 3.3Å; E25-G27 PolarHBondContact O-N 3.09Å
28S87.1Confident89.7Confident40 Ų4083 Ų8328%0.2845%0.448SS..  trans-87.3131.9175.9-159.70000110.8A24 N26 Y30A24-S28 PolarHBondContact N-O 3.48Å; N26-S28 VanDerWaalsContact C-N 3.31Å; N26-S28 PolarHBondContact O-N 2.97Å; N26-S28 WeakPolarHBondContact OD1-CB 3.5Å; N26-S28 PolarHBondContact OD1-N 3.4Å; S28-Y30 PolarHBondContact OG-N 3.47Å; S28-Y30 PolarHBondContact OG-O 3.06Å
29N92Very high89.6Confident53 Ų5389.2 Ų89.228%0.28347%0.467SS..SBendtrans-99.14.6171.262.6-6000112.3S18 S19 V23S18-N29 WeakPolarHBondContact CB-O 3.37Å; S19-N29 PolarHBondContact OG-ND2 2.98Å; V23-N29 HydrophobicContact CG2-CB 4.49Å
30Y94.8Very high89.5Confident38 Ų3888.9 Ų88.915%0.14946%0.461CS..  trans-140.3122.4179.4-174.7-113.7000110.5L15 S28 S34 Q50 N52 L55 A56L15-Y30 HydrophobicContact CD2-CD2 4.12Å; L15-Y30 HydrophobicContact CD2-CG 4.4Å; S28-Y30 PolarHBondContact OG-N 3.47Å; S28-Y30 PolarHBondContact OG-O 3.06Å; Y30-S34 WeakPolarHBondContact CA-OG 3.49Å; Y30-S34 VanDerWaalsContact CD2-CB 3.48Å; Y30-S34 WeakPolarHBondContact CD2-OG 3.38Å; Y30-Q50 HydrophobicContact CE1-CG 3.7Å; Y30-Q50 HydrophobicContact CE2-CB 3.94Å; Y30-Q50 HydrophobicContact CE2-CG 3.93Å; Y30-Q50 WeakPolarHBondContact OH-CA 3.3Å; Y30-Q50 WeakPolarHBondContact OH-CB 3.46Å; Y30-Q50 WeakPolarHBondContact OH-CG 3.2Å; Y30-N52 WeakPolarHBondContact CE1-O 3.43Å; Y30-L55 PolarHBondContact OH-O 3.24Å; Y30-A56 HydrophobicContact CE2-CB 4.5Å; Y30-A56 WeakPolarHBondContact OH-CA 3.3Å; Y30-A56 VanDerWaalsContact OH-CB 3.3Å; Y30-A56 WeakPolarHBondContact OH-CB 3.36Å; Y30-A56 PolarHBondContact OH-N 3.16Å
31D93.5Very high89.2Confident66 Ų6693.7 Ų93.735%0.35348%0.477SS..  trans-147.1-174-173.372.618.6000112.7R33 S34 Q50D31-R33 PolarHBondContact O-N 2.94Å; D31-R33 VanDerWaalsContact O-N 3.17Å; D31-R33 WeakPolarHBondContact OD1-CA 3.45Å; D31-R33 WeakPolarHBondContact OD1-CB 3.32Å; D31-R33 PolarHBondContact OD1-N 3.27Å; D31-S34 PolarHBondContact N-OG 3.48Å; D31-S34 WeakPolarHBondContact O-CB 3.26Å; D31-S34 PolarHBondContact O-N 3.39Å; D31-S34 VanDerWaalsContact O-N 3.14Å; D31-S34 PolarHBondContact O-OG 3.16Å; D31-S34 PolarHBondContact OD1-N 2.83Å; D31-S34 PolarHBondContact OD1-OG 3.46Å; D31-Q50 WeakPolarHBondContact O-CB 3.4Å; D31-Q50 WeakPolarHBondContact O-CG 3.47Å
32E92.6Very high88.8Confident163 Ų16387.7 Ų87.776%0.76246%0.464SS*.THydrogen-bonded Turntrans-65-16.2-177.4-63.3178.2-179.900114.3
33R91.9Very high88.7Confident218 Ų21891.3 Ų91.382%0.82347%0.471SS*.THydrogen-bonded Turntrans-101.9-6.6179-59-179.3-176.3173.62.2112.1D31 S35D31-R33 PolarHBondContact O-N 2.94Å; D31-R33 VanDerWaalsContact O-N 3.17Å; D31-R33 WeakPolarHBondContact OD1-CA 3.45Å; D31-R33 WeakPolarHBondContact OD1-CB 3.32Å; D31-R33 PolarHBondContact OD1-N 3.27Å; R33-S35 PolarHBondContact O-N 3.11Å; R33-S35 VanDerWaalsContact O-N 3.11Å; R33-S35 PolarHBondContact O-OG 2.95Å
34S94.9Very high88.9Confident18 Ų1891.5 Ų91.513%0.12647%0.467CS..  trans-57.3118.2178.2-65.60000111.3Y30 D31 Q50Y30-S34 WeakPolarHBondContact CA-OG 3.49Å; Y30-S34 VanDerWaalsContact CD2-CB 3.48Å; Y30-S34 WeakPolarHBondContact CD2-OG 3.38Å; D31-S34 PolarHBondContact N-OG 3.48Å; D31-S34 WeakPolarHBondContact O-CB 3.26Å; D31-S34 PolarHBondContact O-N 3.39Å; D31-S34 VanDerWaalsContact O-N 3.14Å; D31-S34 PolarHBondContact O-OG 3.16Å; D31-S34 PolarHBondContact OD1-N 2.83Å; D31-S34 PolarHBondContact OD1-OG 3.46Å; S34-Q50 PolarHBondContact O-N 3.2Å
35S95.3Very high89.7Confident66 Ų6689.7 Ų89.746%0.46245%0.452SS..EExtended strand (participates in β ladder)trans-154.6153.4179.661.80000110.2R33 L48R33-S35 PolarHBondContact O-N 3.11Å; R33-S35 VanDerWaalsContact O-N 3.11Å; R33-S35 PolarHBondContact O-OG 2.95Å; S35-L48 CarbonylContact C-O 3.58Å; S35-L48 WeakPolarHBondContact CA-O 3.49Å; S35-L48 WeakPolarHBondContact CB-O 3.44Å
36S95.8Very high90.8Very high27 Ų2779.8 Ų79.819%0.18941%0.406CS..EExtended strand (participates in β ladder)trans-146.3151.8175.7-1760000110.3T14 F47 L48 R49T14-S36 VanDerWaalsContact OG1-CB 3.3Å; T14-S36 WeakPolarHBondContact OG1-CB 3.45Å; T14-S36 PolarHBondContact OG1-OG 2.85Å; S36-F47 WeakPolarHBondContact O-CA 3.44Å; S36-L48 PolarHBondContact N-O 2.99Å; S36-L48 PolarHBondContact O-N 2.99Å; S36-R49 PolarHBondContact O-NH1 3.21Å
37V94.9Very high91.7Very high67 Ų6774.6 Ų74.641%0.40638%0.378SS..EExtended strand (participates in β ladder)trans-137.4118.1175.5-1770000107.9V45 M46 F47V37-V45 HydrophobicContact CG1-CG1 3.54Å; V37-M46 CarbonylContact C-O 3.58Å; V37-M46 WeakPolarHBondContact CA-O 3.43Å; V37-F47 HydrophobicContact CG1-CD1 4.27Å; V37-F47 HydrophobicContact CG1-CE1 4.03Å; V37-F47 HydrophobicContact CG2-CD1 3.8Å; V37-F47 HydrophobicContact CG2-CE1 4.06Å
38I94.9Very high92.5Very high51 Ų5172.1 Ų72.126%0.26235%0.351SS..EExtended strand (participates in β ladder)trans-120.7117.8179.1-58179.3000108.1M10 L40 M46M10-I38 HydrophobicContact CB-CD1 4.44Å; M10-I38 HydrophobicContact CE-CB 4.45Å; M10-I38 HydrophobicContact CE-CD1 4.15Å; M10-I38 HydrophobicContact CE-CG1 3.99Å; M10-I38 HydrophobicContact CG-CD1 3.88Å; I38-L40 HydrophobicContact CG2-CD2 4.21Å; I38-M46 HydrophobicContact CB-CB 4.41Å; I38-M46 PolarHBondContact N-O 2.91Å; I38-M46 PolarHBondContact O-N 3.45Å
39R92.9Very high92.9Very high160 Ų16071.9 Ų71.960%0.60434%0.344SS*.EExtended strand (participates in β ladder)trans-88.4124.1172.8-64.7-176.6-157.4-91.6-11.1109.4V45 E63R39-V45 HydrophobicContact CG-CG1 4.07Å; R39-V45 HydrophobicContact CG-CG2 4.04Å; R39-E63 IonicContact CZ-OE1 3.72Å; R39-E63 IonicContact NH1-OE1 2.68Å; R39-E63 PolarHBondContact NH1-OE1 3.39Å
40L91.9Very high93.1Very high44 Ų4470 Ų7023%0.2333%0.333CS..EExtended strand (participates in β ladder)trans-90154.7174.5-55.3177.7000109.5L6 I38 S42 Q44 M46L6-L40 HydrophobicContact CD2-CD1 3.92Å; I38-L40 HydrophobicContact CG2-CD2 4.21Å; L40-S42 PolarHBondContact O-N 2.89Å; L40-S42 VanDerWaalsContact O-N 3.1Å; L40-Q44 HydrophobicContact CB-CB 4.4Å; L40-Q44 WeakPolarHBondContact CB-O 3.29Å; L40-Q44 HydrophobicContact CD1-CB 4.17Å; L40-Q44 PolarHBondContact N-O 3.01Å; L40-M46 HydrophobicContact CD1-CG 4.02Å; L40-M46 HydrophobicContact CD1-SD 4.03Å; L40-M46 HydrophobicContact CD2-SD 4.22Å; L40-M46 HydrophobicContact CG-CG 4.28Å; L40-M46 HydrophobicContact CG-SD 4.37Å
41K88.1Confident93.2Very high216 Ų21668.6 Ų68.694%0.93933%0.329SS*.THydrogen-bonded Turntrans-62.4-17.8176.1-169.2178.9177-176.80113.1E43K41-E43 VanDerWaalsContact C-N 3.27Å; K41-E43 PolarHBondContact O-N 2.9Å
42S85.7Confident93.2Very high70 Ų7067.5 Ų67.549%0.4932%0.323SS..THydrogen-bonded Turntrans-84.323.9-176.5510000114.7L40 Q44L40-S42 PolarHBondContact O-N 2.89Å; L40-S42 VanDerWaalsContact O-N 3.1Å; S42-Q44 PolarHBondContact O-N 3.45Å; S42-Q44 PolarHBondContact OG-OE1 3.24Å
43E86.8Confident93.2Very high114 Ų11467.6 Ų67.653%0.53332%0.321SS..THydrogen-bonded Turntrans55.432.3-172.9-54.2178.616900112.5K41 K62 E63K41-E43 VanDerWaalsContact C-N 3.27Å; K41-E43 PolarHBondContact O-N 2.9Å; E43-K62 CarbonylContact O-C 3.12Å; E43-K62 WeakPolarHBondContact O-CA 3.3Å; E43-K62 WeakPolarHBondContact O-CG 3.48Å; E43-K62 WeakPolarHBondContact OE2-CE 3.44Å; E43-K62 IonicContact OE2-NZ 3.85Å; E43-E63 PolarHBondContact O-N 3.43Å
44Q90.4Very high93.2Very high80 Ų8064.7 Ų64.737%0.37432%0.316SS..EExtended strand (participates in β ladder)trans-119.8140.3178.1-74.5176.3-29.700109.4L40 S42 I60 M61L40-Q44 HydrophobicContact CB-CB 4.4Å; L40-Q44 WeakPolarHBondContact CB-O 3.29Å; L40-Q44 HydrophobicContact CD1-CB 4.17Å; L40-Q44 PolarHBondContact N-O 3.01Å; S42-Q44 PolarHBondContact O-N 3.45Å; S42-Q44 PolarHBondContact OG-OE1 3.24Å; Q44-I60 HydrophobicContact CB-CG2 4.07Å; Q44-I60 HydrophobicContact CG-CG2 4.38Å; Q44-M61 CarbonylContact C-O 3.58Å; Q44-M61 WeakPolarHBondContact CA-O 3.42Å
45V92.2Very high93.2Very high0 Ų067.5 Ų67.50%033%0.33CS..EExtended strand (participates in β ladder)trans-118.9124.5177.2-168.80000108.6V37 R39 F47 I60 M61 E63V37-V45 HydrophobicContact CG1-CG1 3.54Å; R39-V45 HydrophobicContact CG-CG1 4.07Å; R39-V45 HydrophobicContact CG-CG2 4.04Å; V45-F47 HydrophobicContact CB-CD2 4.41Å; V45-F47 HydrophobicContact CB-CE2 3.61Å; V45-F47 HydrophobicContact CB-CZ 4.03Å; V45-F47 HydrophobicContact CG1-CD2 4.12Å; V45-F47 HydrophobicContact CG1-CE1 4.22Å; V45-F47 HydrophobicContact CG1-CE2 3.45Å; V45-F47 VanDerWaalsContact CG1-CE2 3.45Å; V45-F47 HydrophobicContact CG1-CZ 3.52Å; V45-I60 WeakPolarHBondContact O-CA 3.5Å; V45-M61 PolarHBondContact N-O 2.99Å; V45-M61 PolarHBondContact O-N 3.07Å; V45-E63 HydrophobicContact CG2-CB 4.01Å; V45-E63 HydrophobicContact CG2-CG 4.26Å
46M94.6Very high93.3Very high3 Ų366.4 Ų66.42%0.01532%0.324CS..EExtended strand (participates in β ladder)trans-94.3136.4172.8-52.8-178.766.600109.5L6 M10 V37 I38 L40 V58 F59 I60L6-M46 HydrophobicContact CD1-SD 4.31Å; L6-M46 HydrophobicContact CD2-CE 4.22Å; L6-M46 HydrophobicContact CD2-SD 3.82Å; L6-M46 HydrophobicContact CG-CE 3.78Å; L6-M46 HydrophobicContact CG-SD 3.74Å; M10-M46 HydrophobicContact CB-CE 3.79Å; M10-M46 HydrophobicContact CE-CB 3.92Å; M10-M46 WeakPolarHBondContact CE-O 3.36Å; M10-M46 HydrophobicContact CG-CE 4.34Å; M10-M46 HydrophobicContact SD-CB 3.53Å; M10-M46 VanDerWaalsContact SD-CB 3.53Å; M10-M46 HydrophobicContact SD-CE 3.78Å; M10-M46 HydrophobicContact SD-SD 4.46Å; V37-M46 CarbonylContact C-O 3.58Å; V37-M46 WeakPolarHBondContact CA-O 3.43Å; I38-M46 HydrophobicContact CB-CB 4.41Å; I38-M46 PolarHBondContact N-O 2.91Å; I38-M46 PolarHBondContact O-N 3.45Å; L40-M46 HydrophobicContact CD1-CG 4.02Å; L40-M46 HydrophobicContact CD1-SD 4.03Å; L40-M46 HydrophobicContact CD2-SD 4.22Å; L40-M46 HydrophobicContact CG-CG 4.28Å; L40-M46 HydrophobicContact CG-SD 4.37Å; M46-V58 HydrophobicContact CE-CG1 4.49Å; M46-F59 WeakPolarHBondContact CA-O 3.41Å; M46-I60 HydrophobicContact CE-CD1 4.2Å; M46-I60 HydrophobicContact CE-CG1 4.42Å; M46-I60 HydrophobicContact CG-CD1 4.32Å; M46-I60 HydrophobicContact CG-CG1 4.09Å
47F95.1Very high93.4Very high17 Ų1767.5 Ų67.58%0.07533%0.328CS..EExtended strand (participates in β ladder)trans-124.2137.4178.5-63.3-97.4000109.5S36 V37 V45 V58 F59 M61S36-F47 WeakPolarHBondContact O-CA 3.44Å; V37-F47 HydrophobicContact CG1-CD1 4.27Å; V37-F47 HydrophobicContact CG1-CE1 4.03Å; V37-F47 HydrophobicContact CG2-CD1 3.8Å; V37-F47 HydrophobicContact CG2-CE1 4.06Å; V45-F47 HydrophobicContact CB-CD2 4.41Å; V45-F47 HydrophobicContact CB-CE2 3.61Å; V45-F47 HydrophobicContact CB-CZ 4.03Å; V45-F47 HydrophobicContact CG1-CD2 4.12Å; V45-F47 HydrophobicContact CG1-CE1 4.22Å; V45-F47 HydrophobicContact CG1-CE2 3.45Å; V45-F47 VanDerWaalsContact CG1-CE2 3.45Å; V45-F47 HydrophobicContact CG1-CZ 3.52Å; F47-V58 CarbonylContact O-C 3.56Å; F47-V58 VanDerWaalsContact O-CA 3.26Å; F47-V58 WeakPolarHBondContact O-CA 3.31Å; F47-F59 HydrophobicContact CB-CD1 3.82Å; F47-F59 HydrophobicContact CB-CD2 3.94Å; F47-F59 HydrophobicContact CB-CE1 3.41Å; F47-F59 VanDerWaalsContact CB-CE1 3.41Å; F47-F59 HydrophobicContact CB-CE2 3.52Å; F47-F59 HydrophobicContact CB-CG 4.09Å; F47-F59 HydrophobicContact CB-CZ 3.24Å; F47-F59 HydrophobicContact CD1-CE2 4.3Å; F47-F59 HydrophobicContact CD1-CZ 4.14Å; F47-F59 AromaticContact CD2-CD2 3.86Å; F47-F59 HydrophobicContact CD2-CD2 3.86Å; F47-F59 AromaticContact CD2-CE2 3.47Å; F47-F59 HydrophobicContact CD2-CE2 3.47Å; F47-F59 VanDerWaalsContact CD2-CE2 3.47Å; F47-F59 HydrophobicContact CD2-CZ 4.05Å; F47-F59 HydrophobicContact CE2-CE2 4.23Å; F47-F59 HydrophobicContact CG-CD2 4.17Å; F47-F59 HydrophobicContact CG-CE1 4.25Å; F47-F59 AromaticContact CG-CE2 3.51Å; F47-F59 HydrophobicContact CG-CE2 3.51Å; F47-F59 AromaticContact CG-CZ 3.57Å; F47-F59 HydrophobicContact CG-CZ 3.57Å; F47-F59 PolarHBondContact N-O 3.36Å; F47-F59 PolarHBondContact O-N 3.41Å; F47-M61 HydrophobicContact CD2-CE 3.93Å; F47-M61 HydrophobicContact CE2-CB 4.43Å; F47-M61 HydrophobicContact CE2-CE 3.39Å; F47-M61 HydrophobicContact CZ-CE 3.85Å
48L97Very high93.4Very high4 Ų465.8 Ų65.82%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-120.7134.1169.3-176155.4000107.5M10 I11 T14 S35 S36 A56 L57 V58M10-L48 HydrophobicContact CE-CB 3.74Å; M10-L48 HydrophobicContact SD-CB 4.17Å; I11-L48 HydrophobicContact CG1-CD1 3.87Å; T14-L48 HydrophobicContact CG2-CD1 4.36Å; T14-L48 HydrophobicContact CG2-CD2 4.39Å; S35-L48 CarbonylContact C-O 3.58Å; S35-L48 WeakPolarHBondContact CA-O 3.49Å; S35-L48 WeakPolarHBondContact CB-O 3.44Å; S36-L48 PolarHBondContact N-O 2.99Å; S36-L48 PolarHBondContact O-N 2.99Å; L48-A56 HydrophobicContact CD2-CB 4.36Å; L48-A56 HydrophobicContact CG-CB 4.29Å; L48-L57 WeakPolarHBondContact CA-O 3.38Å; L48-V58 HydrophobicContact CB-CG2 4.42Å; L48-V58 HydrophobicContact CD1-CG2 4.07Å; L48-V58 HydrophobicContact CG-CG2 4.16Å
49R96.2Very high93.4Very high35 Ų3565.3 Ų65.313%0.13231%0.314CS..EExtended strand (participates in β ladder)trans-140.7135.2174.7-64.7-69.4-173.4-93.96110.5S36 V51 A56 L57 F59 D73 F76S36-R49 PolarHBondContact O-NH1 3.21Å; R49-V51 PolarHBondContact O-N 3.31Å; R49-A56 WeakPolarHBondContact O-CA 3.33Å; R49-L57 PolarHBondContact N-O 3.31Å; R49-L57 PolarHBondContact O-N 3.29Å; R49-F59 HydrophobicContact CG-CE1 4.29Å; R49-D73 IonicContact CZ-OD1 3.69Å; R49-D73 IonicContact NE-OD1 3.47Å; R49-D73 PolarHBondContact NE-OD1 2.73Å; R49-D73 IonicContact NH2-OD1 2.98Å; R49-D73 PolarHBondContact NH2-OD1 3.07Å; R49-F76 HydrophobicContact CB-CD1 4Å; R49-F76 HydrophobicContact CB-CD2 3.97Å; R49-F76 HydrophobicContact CB-CE1 3.48Å; R49-F76 VanDerWaalsContact CB-CE1 3.48Å; R49-F76 HydrophobicContact CB-CE2 3.46Å; R49-F76 VanDerWaalsContact CB-CE2 3.46Å; R49-F76 HydrophobicContact CB-CG 4.23Å; R49-F76 HydrophobicContact CB-CZ 3.19Å; R49-F76 HydrophobicContact CG-CD1 4.08Å; R49-F76 HydrophobicContact CG-CD2 4.17Å; R49-F76 HydrophobicContact CG-CE1 4.07Å; R49-F76 HydrophobicContact CG-CE2 4.17Å; R49-F76 HydrophobicContact CG-CG 4.14Å; R49-F76 HydrophobicContact CG-CZ 4.13Å
50Q96.4Very high93.3Very high13 Ų1360 Ų606%0.06130%0.297CS..EExtended strand (participates in β ladder)trans-67.4131.2175.3-175.6-96.217.800112Y30 D31 S34 N52 F76 K80Y30-Q50 HydrophobicContact CE1-CG 3.7Å; Y30-Q50 HydrophobicContact CE2-CB 3.94Å; Y30-Q50 HydrophobicContact CE2-CG 3.93Å; Y30-Q50 WeakPolarHBondContact OH-CA 3.3Å; Y30-Q50 WeakPolarHBondContact OH-CB 3.46Å; Y30-Q50 WeakPolarHBondContact OH-CG 3.2Å; D31-Q50 WeakPolarHBondContact O-CB 3.4Å; D31-Q50 WeakPolarHBondContact O-CG 3.47Å; S34-Q50 PolarHBondContact O-N 3.2Å; Q50-N52 WeakPolarHBondContact CG-O 3.49Å; Q50-N52 PolarHBondContact NE2-O 3.41Å; Q50-N52 VanDerWaalsContact NE2-O 3.12Å; Q50-F76 WeakPolarHBondContact O-CZ 3.3Å; Q50-K80 PolarHBondContact O-NZ 2.98Å
51V95.9Very high93.2Very high8 Ų860.3 Ų60.35%0.04830%0.297CS..  trans-98.2-51.4174.5178.70000110R49 L55 L57 F76 F79 K80 I83R49-V51 PolarHBondContact O-N 3.31Å; V51-L55 HydrophobicContact CB-CB 4.13Å; V51-L55 WeakPolarHBondContact CB-O 3.19Å; V51-L55 PolarHBondContact N-O 3.34Å; V51-L57 HydrophobicContact CG2-CB 3.84Å; V51-F76 HydrophobicContact CG2-CE2 4.37Å; V51-F76 HydrophobicContact CG2-CZ 4.26Å; V51-F79 HydrophobicContact CG2-CE1 4.4Å; V51-K80 WeakPolarHBondContact O-CE 3.4Å; V51-I83 HydrophobicContact CG1-CB 4.42Å; V51-I83 HydrophobicContact CG1-CG2 3.79Å
52N93.5Very high93.3Very high43 Ų4356 Ų5623%0.2328%0.278CS..SBendtrans-151-173.1172.568.630000109.9Y30 Q50 H54 L55Y30-N52 WeakPolarHBondContact CE1-O 3.43Å; Q50-N52 WeakPolarHBondContact CG-O 3.49Å; Q50-N52 PolarHBondContact NE2-O 3.41Å; Q50-N52 VanDerWaalsContact NE2-O 3.12Å; N52-H54 PolarHBondContact O-N 3.18Å; N52-H54 WeakPolarHBondContact OD1-CA 3.36Å; N52-H54 PolarHBondContact OD1-N 3.16Å; N52-L55 PolarHBondContact N-O 3.09Å; N52-L55 VanDerWaalsContact N-O 3.13Å; N52-L55 PolarHBondContact O-N 3.5Å; N52-L55 WeakPolarHBondContact OD1-CB 3.33Å; N52-L55 PolarHBondContact OD1-N 3.35Å
53K92Very high93.1Very high165 Ų16556.4 Ų56.472%0.71727%0.273SS*.SBendtrans-53.8-23.3-178.8-171.9176.3179.9-179.10114.5
54H92.4Very high92.4Very high157 Ų15755.1 Ų55.173%0.72727%0.27SS*.SBendtrans-120.3-14.2-174.2-57.5-61.4000114.3N52N52-H54 PolarHBondContact O-N 3.18Å; N52-H54 WeakPolarHBondContact OD1-CA 3.36Å; N52-H54 PolarHBondContact OD1-N 3.16Å
55L95.9Very high91Very high78 Ų7855.5 Ų55.541%0.40830%0.295SS..  trans-121.8134.7-172.9-62.1177.8000110.8Y30 V51 N52 F87Y30-L55 PolarHBondContact OH-O 3.24Å; V51-L55 HydrophobicContact CB-CB 4.13Å; V51-L55 WeakPolarHBondContact CB-O 3.19Å; V51-L55 PolarHBondContact N-O 3.34Å; N52-L55 PolarHBondContact N-O 3.09Å; N52-L55 VanDerWaalsContact N-O 3.13Å; N52-L55 PolarHBondContact O-N 3.5Å; N52-L55 WeakPolarHBondContact OD1-CB 3.33Å; N52-L55 PolarHBondContact OD1-N 3.35Å; L55-F87 HydrophobicContact CD1-CE2 3.79Å; L55-F87 HydrophobicContact CD1-CZ 3.55Å
56A96.9Very high89.4Confident42 Ų4262.7 Ų62.735%0.34733%0.334SS..EExtended strand (participates in β ladder)trans-116.9145.1167.600000109.1Y30 L48 R49Y30-A56 HydrophobicContact CE2-CB 4.5Å; Y30-A56 WeakPolarHBondContact OH-CA 3.3Å; Y30-A56 VanDerWaalsContact OH-CB 3.3Å; Y30-A56 WeakPolarHBondContact OH-CB 3.36Å; Y30-A56 PolarHBondContact OH-N 3.16Å; L48-A56 HydrophobicContact CD2-CB 4.36Å; L48-A56 HydrophobicContact CG-CB 4.29Å; R49-A56 WeakPolarHBondContact O-CA 3.33Å
57L96.9Very high87.8Confident51 Ų5165.6 Ų65.627%0.26735%0.347SS..EExtended strand (participates in β ladder)trans-95.1123.4166.2-17968.3000108.2L48 R49 V51 F59 F76 F79L48-L57 WeakPolarHBondContact CA-O 3.38Å; R49-L57 PolarHBondContact N-O 3.31Å; R49-L57 PolarHBondContact O-N 3.29Å; V51-L57 HydrophobicContact CG2-CB 3.84Å; L57-F59 HydrophobicContact CD2-CD1 3.9Å; L57-F59 HydrophobicContact CD2-CE1 4.26Å; L57-F59 HydrophobicContact CG-CD1 3.98Å; L57-F76 HydrophobicContact CB-CE2 3.87Å; L57-F76 HydrophobicContact CD2-CD2 3.71Å; L57-F76 HydrophobicContact CD2-CE2 3.64Å; L57-F76 HydrophobicContact CG-CE2 4.39Å; L57-F79 HydrophobicContact CD1-CE1 4.36Å; L57-F79 HydrophobicContact CD1-CZ 4.42Å; L57-F79 HydrophobicContact CD2-CD1 4.08Å; L57-F79 HydrophobicContact CD2-CE1 3.86Å; L57-F79 HydrophobicContact CG-CE1 4.49Å
58V96.7Very high86.6Confident31 Ų3171.3 Ų71.319%0.18837%0.372CS..EExtended strand (participates in β ladder)trans-111.7127.2169.6-173.50000108.5C7 M10 I11 M46 F47 L48C7-V58 HydrophobicContact CB-CB 4.39Å; C7-V58 HydrophobicContact CB-CG1 3.91Å; M10-V58 HydrophobicContact SD-CG1 3.73Å; I11-V58 HydrophobicContact CD1-CG2 4.1Å; I11-V58 HydrophobicContact CG1-CG2 3.97Å; M46-V58 HydrophobicContact CE-CG1 4.49Å; F47-V58 CarbonylContact O-C 3.56Å; F47-V58 VanDerWaalsContact O-CA 3.26Å; F47-V58 WeakPolarHBondContact O-CA 3.31Å; L48-V58 HydrophobicContact CB-CG2 4.42Å; L48-V58 HydrophobicContact CD1-CG2 4.07Å; L48-V58 HydrophobicContact CG-CG2 4.16Å
59F93.1Very high85.6Confident41 Ų4174.2 Ų74.218%0.1840%0.396CS..EExtended strand (participates in β ladder)trans-140150.4178.861.2-82.6000111.4M46 F47 R49 L57 M61 I72M46-F59 WeakPolarHBondContact CA-O 3.41Å; F47-F59 HydrophobicContact CB-CD1 3.82Å; F47-F59 HydrophobicContact CB-CD2 3.94Å; F47-F59 HydrophobicContact CB-CE1 3.41Å; F47-F59 VanDerWaalsContact CB-CE1 3.41Å; F47-F59 HydrophobicContact CB-CE2 3.52Å; F47-F59 HydrophobicContact CB-CG 4.09Å; F47-F59 HydrophobicContact CB-CZ 3.24Å; F47-F59 HydrophobicContact CD1-CE2 4.3Å; F47-F59 HydrophobicContact CD1-CZ 4.14Å; F47-F59 AromaticContact CD2-CD2 3.86Å; F47-F59 HydrophobicContact CD2-CD2 3.86Å; F47-F59 AromaticContact CD2-CE2 3.47Å; F47-F59 HydrophobicContact CD2-CE2 3.47Å; F47-F59 VanDerWaalsContact CD2-CE2 3.47Å; F47-F59 HydrophobicContact CD2-CZ 4.05Å; F47-F59 HydrophobicContact CE2-CE2 4.23Å; F47-F59 HydrophobicContact CG-CD2 4.17Å; F47-F59 HydrophobicContact CG-CE1 4.25Å; F47-F59 AromaticContact CG-CE2 3.51Å; F47-F59 HydrophobicContact CG-CE2 3.51Å; F47-F59 AromaticContact CG-CZ 3.57Å; F47-F59 HydrophobicContact CG-CZ 3.57Å; F47-F59 PolarHBondContact N-O 3.36Å; F47-F59 PolarHBondContact O-N 3.41Å; R49-F59 HydrophobicContact CG-CE1 4.29Å; L57-F59 HydrophobicContact CD2-CD1 3.9Å; L57-F59 HydrophobicContact CD2-CE1 4.26Å; L57-F59 HydrophobicContact CG-CD1 3.98Å; F59-M61 HydrophobicContact CD2-CE 4.16Å; F59-M61 HydrophobicContact CD2-CG 4Å; F59-M61 HydrophobicContact CD2-SD 4.04Å; F59-M61 HydrophobicContact CE2-CE 3.62Å; F59-M61 HydrophobicContact CE2-CG 4.4Å; F59-M61 HydrophobicContact CE2-SD 3.97Å; F59-I72 HydrophobicContact CE2-CG2 3.88Å; F59-I72 HydrophobicContact CZ-CG2 3.72Å
60I92.6Very high85.1Confident49 Ų4975 Ų7525%0.25142%0.415SS..EExtended strand (participates in β ladder)trans-119.1128.3-179.2-50.3-176000107.6I3 Q44 V45 M46I3-I60 HydrophobicContact CG2-CD1 3.7Å; Q44-I60 HydrophobicContact CB-CG2 4.07Å; Q44-I60 HydrophobicContact CG-CG2 4.38Å; V45-I60 WeakPolarHBondContact O-CA 3.5Å; M46-I60 HydrophobicContact CE-CD1 4.2Å; M46-I60 HydrophobicContact CE-CG1 4.42Å; M46-I60 HydrophobicContact CG-CD1 4.32Å; M46-I60 HydrophobicContact CG-CG1 4.09Å
61M89.8Confident84.7Confident49 Ų4980.2 Ų80.224%0.24144%0.438CS..EExtended strand (participates in β ladder)trans-123.6155.6174.2-62.8-172.7-53.800109.8Q44 V45 F47 F59 E67 I72Q44-M61 CarbonylContact C-O 3.58Å; Q44-M61 WeakPolarHBondContact CA-O 3.42Å; V45-M61 PolarHBondContact N-O 2.99Å; V45-M61 PolarHBondContact O-N 3.07Å; F47-M61 HydrophobicContact CD2-CE 3.93Å; F47-M61 HydrophobicContact CE2-CB 4.43Å; F47-M61 HydrophobicContact CE2-CE 3.39Å; F47-M61 HydrophobicContact CZ-CE 3.85Å; F59-M61 HydrophobicContact CD2-CE 4.16Å; F59-M61 HydrophobicContact CD2-CG 4Å; F59-M61 HydrophobicContact CD2-SD 4.04Å; F59-M61 HydrophobicContact CE2-CE 3.62Å; F59-M61 HydrophobicContact CE2-CG 4.4Å; F59-M61 HydrophobicContact CE2-SD 3.97Å; M61-E67 WeakPolarHBondContact CB-OE1 3.45Å; M61-E67 WeakPolarHBondContact CE-OE1 3.43Å; M61-I72 HydrophobicContact CE-CD1 3.35Å; M61-I72 HydrophobicContact CE-CG1 3.79Å; M61-I72 HydrophobicContact CE-CG2 4.18Å
62K88.9Confident84.4Confident125 Ų12581.2 Ų81.254%0.54344%0.442SS..EExtended strand (participates in β ladder)trans-76.9141.8169.8-170.8177.2179.5-178.60107.8E43 D64E43-K62 CarbonylContact O-C 3.12Å; E43-K62 WeakPolarHBondContact O-CA 3.3Å; E43-K62 WeakPolarHBondContact O-CG 3.48Å; E43-K62 WeakPolarHBondContact OE2-CE 3.44Å; E43-K62 IonicContact OE2-NZ 3.85Å; K62-D64 VanDerWaalsContact C-N 3.32Å; K62-D64 WeakPolarHBondContact CB-OD1 3.5Å; K62-D64 PolarHBondContact O-N 3.21Å; K62-D64 VanDerWaalsContact O-OD1 3.09Å
63E81.6Confident84.1Confident80 Ų8082.6 Ų82.637%0.37445%0.45SS..  trans-72.492.5175.9-168.9163.2-14700108.9R39 E43 V45R39-E63 IonicContact CZ-OE1 3.72Å; R39-E63 IonicContact NH1-OE1 2.68Å; R39-E63 PolarHBondContact NH1-OE1 3.39Å; E43-E63 PolarHBondContact O-N 3.43Å; V45-E63 HydrophobicContact CG2-CB 4.01Å; V45-E63 HydrophobicContact CG2-CG 4.26Å
64D73Confident84.2Confident86 Ų8680.6 Ų80.646%0.4644%0.443SS..  trans-93.5121.9175.6-45.3-17000106.3K62 N66 E67K62-D64 VanDerWaalsContact C-N 3.32Å; K62-D64 WeakPolarHBondContact CB-OD1 3.5Å; K62-D64 PolarHBondContact O-N 3.21Å; K62-D64 VanDerWaalsContact O-OD1 3.09Å; D64-N66 PolarHBondContact O-N 3.03Å; D64-E67 HydrophobicContact CB-CG 4.04Å; D64-E67 WeakPolarHBondContact O-CG 3.37Å; D64-E67 PolarHBondContact O-N 3Å
65G60.8Low84.2Confident88 Ų8878 Ų7891%0.90743%0.434SS*.THydrogen-bonded Turntrans-58.32.4-175.600000116.5
66N57.4Low84.1Confident152 Ų15275.6 Ų75.681%0.81342%0.421SS*.THydrogen-bonded Turntrans-112.45174.4-80.3-22.7000113.9D64 K68D64-N66 PolarHBondContact O-N 3.03Å; N66-K68 PolarHBondContact O-N 3.15Å
67E62Low84Confident64 Ų6475.4 Ų75.430%0.29942%0.423SS..  trans-64.3106.9177.2-76.8-166.5149.500110.6M61 D64 A69 I72M61-E67 WeakPolarHBondContact CB-OE1 3.45Å; M61-E67 WeakPolarHBondContact CE-OE1 3.43Å; D64-E67 HydrophobicContact CB-CG 4.04Å; D64-E67 WeakPolarHBondContact O-CG 3.37Å; D64-E67 PolarHBondContact O-N 3Å; E67-A69 PolarHBondContact O-N 3.04Å; E67-I72 HydrophobicContact CB-CD1 4.41Å
68K69.8Low84Confident137 Ų13777.3 Ų77.360%0.59644%0.437SS*.  trans-83.8104.5170.4-49.6-168.3-165.5172.40107.5N66 G70 F71N66-K68 PolarHBondContact O-N 3.15Å; K68-G70 PolarHBondContact O-N 2.91Å; K68-F71 HydrophobicContact CB-CD2 3.67Å; K68-F71 HydrophobicContact CB-CE2 4.23Å; K68-F71 HydrophobicContact CB-CG 4.46Å; K68-F71 HydrophobicContact CD-CD2 3.92Å; K68-F71 HydrophobicContact CD-CE2 3.56Å; K68-F71 HydrophobicContact CG-CD2 4.03Å; K68-F71 HydrophobicContact CG-CE2 4.16Å; K68-F71 PolarHBondContact O-N 3.47Å
69A76Confident84Confident64 Ų6480 Ų8053%0.52945%0.446SS..Hα-helixtrans-43.5-36.417500000112.9E67 F71 I72 D73E67-A69 PolarHBondContact O-N 3.04Å; A69-F71 PolarHBondContact O-N 3.02Å; A69-I72 WeakPolarHBondContact O-CB 3.33Å; A69-I72 PolarHBondContact O-N 3.35Å; A69-D73 PolarHBondContact O-N 3.13Å
70G84.9Confident84.1Confident51 Ų5180 Ų8053%0.52645%0.446SS..Hα-helixtrans-62.4-33176.600000115.6K68 H74K68-G70 PolarHBondContact O-N 2.91Å; G70-H74 WeakPolarHBondContact O-CB 3.15Å; G70-H74 PolarHBondContact O-N 2.74Å
71F88.7Confident84.3Confident124 Ų12479.6 Ų79.654%0.54445%0.45SS..Hα-helixtrans-72.2-36.5174.3-74.5-51.5000111.7K68 A69 H74 N75K68-F71 HydrophobicContact CB-CD2 3.67Å; K68-F71 HydrophobicContact CB-CE2 4.23Å; K68-F71 HydrophobicContact CB-CG 4.46Å; K68-F71 HydrophobicContact CD-CD2 3.92Å; K68-F71 HydrophobicContact CD-CE2 3.56Å; K68-F71 HydrophobicContact CG-CD2 4.03Å; K68-F71 HydrophobicContact CG-CE2 4.16Å; K68-F71 PolarHBondContact O-N 3.47Å; A69-F71 PolarHBondContact O-N 3.02Å; F71-H74 PolarHBondContact O-N 2.98Å; F71-N75 WeakPolarHBondContact O-CB 3.33Å; F71-N75 VanDerWaalsContact O-CG 3.23Å; F71-N75 PolarHBondContact O-N 3.05Å; F71-N75 PolarHBondContact O-ND2 2.81Å
72I88.4Confident84.5Confident28 Ų2878.7 Ų78.714%0.14445%0.453CS..Hα-helixtrans-63.9-48.1176.4-64.8155.6000109.3F59 M61 E67 A69 H74 N75 F76F59-I72 HydrophobicContact CE2-CG2 3.88Å; F59-I72 HydrophobicContact CZ-CG2 3.72Å; M61-I72 HydrophobicContact CE-CD1 3.35Å; M61-I72 HydrophobicContact CE-CG1 3.79Å; M61-I72 HydrophobicContact CE-CG2 4.18Å; E67-I72 HydrophobicContact CB-CD1 4.41Å; A69-I72 WeakPolarHBondContact O-CB 3.33Å; A69-I72 PolarHBondContact O-N 3.35Å; I72-H74 VanDerWaalsContact C-N 3.34Å; I72-H74 PolarHBondContact O-N 2.9Å; I72-N75 PolarHBondContact O-N 3.4Å; I72-F76 VanDerWaalsContact O-CB 3.31Å; I72-F76 WeakPolarHBondContact O-CB 3.19Å; I72-F76 PolarHBondContact O-N 3.19Å
73D88.6Confident84.8Confident73 Ų7375 Ų7539%0.3944%0.439SS..Hα-helixtrans-64.2-38.7178.2-68-33.8000111.8R49 A69 F76 G77R49-D73 IonicContact CZ-OD1 3.69Å; R49-D73 IonicContact NE-OD1 3.47Å; R49-D73 PolarHBondContact NE-OD1 2.73Å; R49-D73 IonicContact NH2-OD1 2.98Å; R49-D73 PolarHBondContact NH2-OD1 3.07Å; A69-D73 PolarHBondContact O-N 3.13Å; D73-F76 PolarHBondContact O-N 3.17Å; D73-G77 PolarHBondContact O-N 3.06Å
74H93.1Very high85.2Confident123 Ų12374.8 Ų74.857%0.56944%0.438SS*.Hα-helixtrans-61.8-51.7174.218077.2000112.1G70 F71 I72 F76 G77 V78G70-H74 WeakPolarHBondContact O-CB 3.15Å; G70-H74 PolarHBondContact O-N 2.74Å; F71-H74 PolarHBondContact O-N 2.98Å; I72-H74 VanDerWaalsContact C-N 3.34Å; I72-H74 PolarHBondContact O-N 2.9Å; H74-F76 VanDerWaalsContact C-N 3.28Å; H74-F76 PolarHBondContact O-N 3.25Å; H74-G77 PolarHBondContact O-N 3.14Å; H74-G77 VanDerWaalsContact O-N 3.09Å; H74-V78 PolarHBondContact O-N 3.37Å
75N93.6Very high86.2Confident102 Ų10276.8 Ų76.855%0.54545%0.445SS..Hα-helixtrans-62.4-38.4179.5-72.2-14.2000111.4F71 I72 G77 V78 F79F71-N75 WeakPolarHBondContact O-CB 3.33Å; F71-N75 VanDerWaalsContact O-CG 3.23Å; F71-N75 PolarHBondContact O-N 3.05Å; F71-N75 PolarHBondContact O-ND2 2.81Å; I72-N75 PolarHBondContact O-N 3.4Å; N75-G77 VanDerWaalsContact C-N 3.33Å; N75-G77 PolarHBondContact O-N 2.97Å; N75-V78 PolarHBondContact O-N 3.45Å; N75-F79 WeakPolarHBondContact O-CB 3.44Å; N75-F79 PolarHBondContact O-N 2.97Å
76F93.9Very high87.7Confident27 Ų2777 Ų7712%0.11843%0.428CS..Hα-helixtrans-61.3-41.8173.5179.9-100.3000111.7R49 Q50 V51 L57 I72 D73 H74 V78 F79 K80R49-F76 HydrophobicContact CB-CD1 4Å; R49-F76 HydrophobicContact CB-CD2 3.97Å; R49-F76 HydrophobicContact CB-CE1 3.48Å; R49-F76 VanDerWaalsContact CB-CE1 3.48Å; R49-F76 HydrophobicContact CB-CE2 3.46Å; R49-F76 VanDerWaalsContact CB-CE2 3.46Å; R49-F76 HydrophobicContact CB-CG 4.23Å; R49-F76 HydrophobicContact CB-CZ 3.19Å; R49-F76 HydrophobicContact CG-CD1 4.08Å; R49-F76 HydrophobicContact CG-CD2 4.17Å; R49-F76 HydrophobicContact CG-CE1 4.07Å; R49-F76 HydrophobicContact CG-CE2 4.17Å; R49-F76 HydrophobicContact CG-CG 4.14Å; R49-F76 HydrophobicContact CG-CZ 4.13Å; Q50-F76 WeakPolarHBondContact O-CZ 3.3Å; V51-F76 HydrophobicContact CG2-CE2 4.37Å; V51-F76 HydrophobicContact CG2-CZ 4.26Å; L57-F76 HydrophobicContact CB-CE2 3.87Å; L57-F76 HydrophobicContact CD2-CD2 3.71Å; L57-F76 HydrophobicContact CD2-CE2 3.64Å; L57-F76 HydrophobicContact CG-CE2 4.39Å; I72-F76 VanDerWaalsContact O-CB 3.31Å; I72-F76 WeakPolarHBondContact O-CB 3.19Å; I72-F76 PolarHBondContact O-N 3.19Å; D73-F76 PolarHBondContact O-N 3.17Å; H74-F76 VanDerWaalsContact C-N 3.28Å; H74-F76 PolarHBondContact O-N 3.25Å; F76-V78 PolarHBondContact O-N 2.86Å; F76-F79 HydrophobicContact CD2-CD1 4.33Å; F76-F79 HydrophobicContact CE2-CD1 4.2Å; F76-F79 WeakPolarHBondContact O-CB 3.5Å; F76-F79 PolarHBondContact O-N 3.12Å; F76-K80 HydrophobicContact CE1-CB 4.33Å; F76-K80 HydrophobicContact CE1-CD 4.09Å; F76-K80 HydrophobicContact CZ-CB 4.38Å; F76-K80 HydrophobicContact CZ-CD 4.4Å; F76-K80 WeakPolarHBondContact O-CB 3.34Å; F76-K80 PolarHBondContact O-N 3.38Å
77G94.6Very high89.2Confident39 Ų3974.7 Ų74.740%0.40241%0.411SS..Hα-helixtrans-59.1-45.6174.600000112.7D73 H74 N75 K80 A81D73-G77 PolarHBondContact O-N 3.06Å; H74-G77 PolarHBondContact O-N 3.14Å; H74-G77 VanDerWaalsContact O-N 3.09Å; N75-G77 VanDerWaalsContact C-N 3.33Å; N75-G77 PolarHBondContact O-N 2.97Å; G77-K80 PolarHBondContact O-N 3.11Å; G77-A81 WeakPolarHBondContact O-CB 3.42Å; G77-A81 PolarHBondContact O-N 3.34Å
78V97.3Very high90.4Very high91 Ų9178 Ų7855%0.55243%0.425SS*.Hα-helixtrans-61.4-45.4175.2176.70000111H74 N75 F76 A81 G82H74-V78 PolarHBondContact O-N 3.37Å; N75-V78 PolarHBondContact O-N 3.45Å; F76-V78 PolarHBondContact O-N 2.86Å; V78-A81 PolarHBondContact O-N 3.41Å; V78-G82 PolarHBondContact O-N 2.84Å
79F96.4Very high91.1Very high88 Ų8876.2 Ų76.239%0.38643%0.425SS..Hα-helixtrans-59.8-50.1177169.8-96.9000112.2V51 L57 N75 F76 A81 G82 I83V51-F79 HydrophobicContact CG2-CE1 4.4Å; L57-F79 HydrophobicContact CD1-CE1 4.36Å; L57-F79 HydrophobicContact CD1-CZ 4.42Å; L57-F79 HydrophobicContact CD2-CD1 4.08Å; L57-F79 HydrophobicContact CD2-CE1 3.86Å; L57-F79 HydrophobicContact CG-CE1 4.49Å; N75-F79 WeakPolarHBondContact O-CB 3.44Å; N75-F79 PolarHBondContact O-N 2.97Å; F76-F79 HydrophobicContact CD2-CD1 4.33Å; F76-F79 HydrophobicContact CE2-CD1 4.2Å; F76-F79 WeakPolarHBondContact O-CB 3.5Å; F76-F79 PolarHBondContact O-N 3.12Å; F79-A81 VanDerWaalsContact C-N 3.33Å; F79-A81 PolarHBondContact O-N 2.85Å; F79-G82 PolarHBondContact O-N 3.21Å; F79-G82 VanDerWaalsContact O-N 3.11Å; F79-I83 HydrophobicContact CD1-CG1 4.37Å; F79-I83 HydrophobicContact CD2-CG1 4.28Å; F79-I83 HydrophobicContact CE1-CG1 3.87Å; F79-I83 HydrophobicContact CE2-CD1 4.05Å; F79-I83 HydrophobicContact CE2-CG1 3.77Å; F79-I83 HydrophobicContact CZ-CD1 3.99Å; F79-I83 HydrophobicContact CZ-CG1 3.55Å; F79-I83 PolarHBondContact O-N 3.45Å
80K95.4Very high90.4Very high39 Ų3982.2 Ų82.217%0.1744%0.439CS..Hα-helixtrans-57.5-47.1179.4178.4172.3172167.20110.9Q50 V51 F76 G77 G82 I83 E84Q50-K80 PolarHBondContact O-NZ 2.98Å; V51-K80 WeakPolarHBondContact O-CE 3.4Å; F76-K80 HydrophobicContact CE1-CB 4.33Å; F76-K80 HydrophobicContact CE1-CD 4.09Å; F76-K80 HydrophobicContact CZ-CB 4.38Å; F76-K80 HydrophobicContact CZ-CD 4.4Å; F76-K80 WeakPolarHBondContact O-CB 3.34Å; F76-K80 PolarHBondContact O-N 3.38Å; G77-K80 PolarHBondContact O-N 3.11Å; K80-G82 VanDerWaalsContact C-N 3.32Å; K80-G82 PolarHBondContact O-N 3.19Å; K80-I83 PolarHBondContact O-N 2.74Å; K80-E84 WeakPolarHBondContact CE-OE1 3.21Å; K80-E84 WeakPolarHBondContact O-CG 3.06Å; K80-E84 PolarHBondContact O-N 3.08Å
81A95.1Very high89.1Confident42 Ų4286.9 Ų86.935%0.34745%0.452SS..Hα-helixtrans-60.2-40176.400000112.5G77 V78 F79 Q85G77-A81 WeakPolarHBondContact O-CB 3.42Å; G77-A81 PolarHBondContact O-N 3.34Å; V78-A81 PolarHBondContact O-N 3.41Å; F79-A81 VanDerWaalsContact C-N 3.33Å; F79-A81 PolarHBondContact O-N 2.85Å; A81-Q85 WeakPolarHBondContact O-CG 3.41Å; A81-Q85 PolarHBondContact O-N 2.69Å
82G95.8Very high87.5Confident30 Ų3091 Ų9131%0.30946%0.464SS..Hα-helixtrans-63.7-45.8175.500000112.9V78 F79 K80 E84 Q85 V86V78-G82 PolarHBondContact O-N 2.84Å; F79-G82 PolarHBondContact O-N 3.21Å; F79-G82 VanDerWaalsContact O-N 3.11Å; K80-G82 VanDerWaalsContact C-N 3.32Å; K80-G82 PolarHBondContact O-N 3.19Å; G82-E84 PolarHBondContact O-N 3.06Å; G82-Q85 WeakPolarHBondContact O-CB 3.42Å; G82-Q85 PolarHBondContact O-N 2.84Å; G82-Q85 VanDerWaalsContact O-N 3.16Å; G82-V86 WeakPolarHBondContact O-CG2 3.38Å; G82-V86 PolarHBondContact O-N 2.69Å
83I93.7Very high85.9Confident46 Ų4692.6 Ų92.624%0.23649%0.488CS..Hα-helixtrans-62.4-41.9177.7-71.2-66.1000111.7V51 F79 K80 Q85 V86 F87V51-I83 HydrophobicContact CG1-CB 4.42Å; V51-I83 HydrophobicContact CG1-CG2 3.79Å; F79-I83 HydrophobicContact CD1-CG1 4.37Å; F79-I83 HydrophobicContact CD2-CG1 4.28Å; F79-I83 HydrophobicContact CE1-CG1 3.87Å; F79-I83 HydrophobicContact CE2-CD1 4.05Å; F79-I83 HydrophobicContact CE2-CG1 3.77Å; F79-I83 HydrophobicContact CZ-CD1 3.99Å; F79-I83 HydrophobicContact CZ-CG1 3.55Å; F79-I83 PolarHBondContact O-N 3.45Å; K80-I83 PolarHBondContact O-N 2.74Å; I83-Q85 VanDerWaalsContact C-N 3.27Å; I83-Q85 PolarHBondContact O-N 2.79Å; I83-V86 WeakPolarHBondContact O-CB 3.32Å; I83-V86 PolarHBondContact O-N 2.81Å; I83-V86 VanDerWaalsContact O-N 3.16Å; I83-F87 HydrophobicContact CG2-CD2 3.75Å; I83-F87 HydrophobicContact CG2-CE2 3.26Å; I83-F87 HydrophobicContact CG2-CZ 4.07Å; I83-F87 VanDerWaalsContact O-CD2 3.3Å; I83-F87 WeakPolarHBondContact O-CD2 3.28Å; I83-F87 PolarHBondContact O-N 3.48Å; I83-F87 VanDerWaalsContact O-N 3.07Å
84E91.6Very high84.1Confident76 Ų7694.4 Ų94.436%0.35550%0.501SS..Hα-helixtrans-60.6-36.7175-73.5176.8-175.100112.4K80 G82 K88K80-E84 WeakPolarHBondContact CE-OE1 3.21Å; K80-E84 WeakPolarHBondContact O-CG 3.06Å; K80-E84 PolarHBondContact O-N 3.08Å; G82-E84 PolarHBondContact O-N 3.06Å; E84-K88 VanDerWaalsContact O-CG 3.31Å; E84-K88 WeakPolarHBondContact O-CG 3.33Å; E84-K88 PolarHBondContact O-N 3.25Å
85Q92.8Very high81.8Confident128 Ų12896.1 Ų96.160%0.59851%0.514SS*.Hα-helixtrans-65.9-42.5174-69.4174.63500111.7A81 G82 I83 F87 K88 V89A81-Q85 WeakPolarHBondContact O-CG 3.41Å; A81-Q85 PolarHBondContact O-N 2.69Å; G82-Q85 WeakPolarHBondContact O-CB 3.42Å; G82-Q85 PolarHBondContact O-N 2.84Å; G82-Q85 VanDerWaalsContact O-N 3.16Å; I83-Q85 VanDerWaalsContact C-N 3.27Å; I83-Q85 PolarHBondContact O-N 2.79Å; Q85-F87 VanDerWaalsContact C-N 3.32Å; Q85-F87 PolarHBondContact O-N 2.8Å; Q85-K88 WeakPolarHBondContact O-CB 3.34Å; Q85-K88 PolarHBondContact O-N 2.98Å; Q85-K88 VanDerWaalsContact O-N 3.09Å; Q85-V89 PolarHBondContact O-N 3.16Å
86V92.6Very high79.5Confident93 Ų93103.8 Ų103.856%0.56454%0.543SS*.Hα-helixtrans-58.6-44.3177.2172.10000111.1G82 I83 K88 V89G82-V86 WeakPolarHBondContact O-CG2 3.38Å; G82-V86 PolarHBondContact O-N 2.69Å; I83-V86 WeakPolarHBondContact O-CB 3.32Å; I83-V86 PolarHBondContact O-N 2.81Å; I83-V86 VanDerWaalsContact O-N 3.16Å; V86-K88 VanDerWaalsContact C-N 3.26Å; V86-K88 PolarHBondContact O-N 3.17Å; V86-V89 WeakPolarHBondContact O-CB 3.13Å; V86-V89 PolarHBondContact O-N 3.48Å; V86-V89 VanDerWaalsContact O-N 3.16Å
87F89.3Confident78.8Confident104 Ų104107.6 Ų107.646%0.45656%0.564SS.*Hα-helixtrans-65.5-27.7177.8-68.9-49.9000113.5L55 I83 Q85 V89L55-F87 HydrophobicContact CD1-CE2 3.79Å; L55-F87 HydrophobicContact CD1-CZ 3.55Å; I83-F87 HydrophobicContact CG2-CD2 3.75Å; I83-F87 HydrophobicContact CG2-CE2 3.26Å; I83-F87 HydrophobicContact CG2-CZ 4.07Å; I83-F87 VanDerWaalsContact O-CD2 3.3Å; I83-F87 WeakPolarHBondContact O-CD2 3.28Å; I83-F87 PolarHBondContact O-N 3.48Å; I83-F87 VanDerWaalsContact O-N 3.07Å; Q85-F87 VanDerWaalsContact C-N 3.32Å; Q85-F87 PolarHBondContact O-N 2.8Å; F87-V89 VanDerWaalsContact C-N 3.33Å; F87-V89 PolarHBondContact O-N 2.94Å
88K87.8Confident77.9Confident134 Ų134111.2 Ų111.258%0.58357%0.573SS**Hα-helixtrans-71.4-24.5175.4-68.9168.8-169.3175.90113E84 Q85 V86 K90 N91E84-K88 VanDerWaalsContact O-CG 3.31Å; E84-K88 WeakPolarHBondContact O-CG 3.33Å; E84-K88 PolarHBondContact O-N 3.25Å; Q85-K88 WeakPolarHBondContact O-CB 3.34Å; Q85-K88 PolarHBondContact O-N 2.98Å; Q85-K88 VanDerWaalsContact O-N 3.09Å; V86-K88 VanDerWaalsContact C-N 3.26Å; V86-K88 PolarHBondContact O-N 3.17Å; K88-K90 VanDerWaalsContact C-N 3.26Å; K88-K90 PolarHBondContact O-N 3.27Å; K88-N91 PolarHBondContact O-N 3.33Å
89V84.1Confident76.9Confident99 Ų99112.3 Ų112.360%0.657%0.574SS**Hα-helixtrans-62.2-34.3179.9179.10000111.6Q85 V86 F87 N91 R92Q85-V89 PolarHBondContact O-N 3.16Å; V86-V89 WeakPolarHBondContact O-CB 3.13Å; V86-V89 PolarHBondContact O-N 3.48Å; V86-V89 VanDerWaalsContact O-N 3.16Å; F87-V89 VanDerWaalsContact C-N 3.33Å; F87-V89 PolarHBondContact O-N 2.94Å; V89-N91 PolarHBondContact O-N 3.46Å; V89-N91 VanDerWaalsContact O-N 3.15Å; V89-R92 PolarHBondContact O-N 3.2Å
90K60.8Low75.7Confident190 Ų190113.8 Ų113.883%0.82659%0.585SS**THydrogen-bonded Turntrans-63.5-20.8-179.7-157.9179.5-178.8-176.90113.8K88 R92K88-K90 VanDerWaalsContact C-N 3.26Å; K88-K90 PolarHBondContact O-N 3.27Å; K90-R92 VanDerWaalsContact C-N 3.35Å
91N57.9Low74.5Confident148 Ų148118.4 Ų118.479%0.79161%0.611SS**THydrogen-bonded Turntrans-85.5-5.4177-75.3-11.2000113.7K88 V89 G93K88-N91 PolarHBondContact O-N 3.33Å; V89-N91 PolarHBondContact O-N 3.46Å; V89-N91 VanDerWaalsContact O-N 3.15Å; N91-G93 PolarHBondContact O-N 2.83Å
92R55.2Low73.1Confident210 Ų210123.5 Ų123.579%0.79263%0.629SS**SBendtrans-91.688.3166.8-69.3-175.7179.4-178.2-0.4107.1V89 K90 V94V89-R92 PolarHBondContact O-N 3.2Å; K90-R92 VanDerWaalsContact C-N 3.35Å; R92-V94 PolarHBondContact O-N 2.92Å
93G54.4Low71.5Confident63 Ų63130.2 Ų130.265%0.64965%0.652SS**  trans-46.6114.3169.900000109.5N91 N95N91-G93 PolarHBondContact O-N 2.83Å; G93-N95 VanDerWaalsContact C-N 3.28Å; G93-N95 PolarHBondContact O-N 3.06Å
94V51.2Low69.8Low110 Ų110136.7 Ų136.767%0.66768%0.684SS**  trans-66.997.8160.6-178.30000104.9R92 F96R92-V94 PolarHBondContact O-N 2.92Å; V94-F96 HydrophobicContact CB-CE2 4.39Å; V94-F96 HydrophobicContact CG1-CD2 3.61Å; V94-F96 HydrophobicContact CG1-CE1 4.36Å; V94-F96 HydrophobicContact CG1-CE2 3.34Å; V94-F96 HydrophobicContact CG1-CG 4.24Å; V94-F96 HydrophobicContact CG1-CZ 3.76Å; V94-F96 PolarHBondContact O-N 3.5Å
95N44.3Very low68Low159 Ų159141.8 Ų141.885%0.8571%0.711SS**  trans-71.4101.6162.5-73.1-24.3000106.3G93G93-N95 VanDerWaalsContact C-N 3.28Å; G93-N95 PolarHBondContact O-N 3.06Å
96F45.5Very low65.7Low263 Ų263143 Ų143100%1.15472%0.721SS**  trans-82.60152.4-72-72.7000108.5V94V94-F96 HydrophobicContact CB-CE2 4.39Å; V94-F96 HydrophobicContact CG1-CD2 3.61Å; V94-F96 HydrophobicContact CG1-CE1 4.36Å; V94-F96 HydrophobicContact CG1-CE2 3.34Å; V94-F96 HydrophobicContact CG1-CG 4.24Å; V94-F96 HydrophobicContact CG1-CZ 3.76Å; V94-F96 PolarHBondContact O-N 3.5Å

Retrieved 96 of 96 residues in 93.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).