G4VLX1_SCHMA Loading...

Putative camp-dependent protein kinase catalytic subunit

AlphaFold DB , UniProt , Accession G4VLX1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 104 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
1M39.8Very low64.1Low239 Ų239119.7 Ų119.7100%1.17765%0.654SS**  0116.60-131.5166.774.800106.1
2A44.7Very low66.3Low91 Ų91115.8 Ų115.875%0.75262%0.623SS**  trans-66.2134.9175.600000108.1E4A2-E4 PolarHBondContact O-N 2.99Å
3P47.6Very low68.3Low113 Ų113118.6 Ų118.673%0.73462%0.621SS**  trans-62.8134.1178.125.6-31.5000109.5I5P3-I5 PolarHBondContact O-N 2.76Å; P3-I5 VanDerWaalsContact O-N 3.15Å
4E60.5Low70.2Confident180 Ų180116.4 Ų116.484%0.84162%0.615SS**  trans-63112.3164.7-77.7-179.5163.900107.7A2 I6A2-E4 PolarHBondContact O-N 2.99Å; E4-I6 PolarHBondContact O-N 2.93Å
5I62.4Low72Confident102 Ų102110.5 Ų110.552%0.52358%0.584SS.*  trans-77.5103.8172.8-61173.4000106.4P3 L7P3-I5 PolarHBondContact O-N 2.76Å; P3-I5 VanDerWaalsContact O-N 3.15Å; I5-L7 HydrophobicContact CG2-CD2 3.4Å; I5-L7 VanDerWaalsContact CG2-CD2 3.4Å; I5-L7 HydrophobicContact CG2-CG 4.09Å; I5-L7 PolarHBondContact O-N 2.96Å
6I66.8Low73.6Confident142 Ų142107.4 Ų107.473%0.72857%0.567SS**  trans-79.599171.5-57.8174000107.2E4E4-I6 PolarHBondContact O-N 2.93Å
7L68.1Low75Confident29 Ų29107.6 Ų107.615%0.15256%0.562CS.*  trans-74.9133.4174.5-66.1-168.8000110.9I5 D11 Y12 L15 H49I5-L7 HydrophobicContact CG2-CD2 3.4Å; I5-L7 VanDerWaalsContact CG2-CD2 3.4Å; I5-L7 HydrophobicContact CG2-CG 4.09Å; I5-L7 PolarHBondContact O-N 2.96Å; L7-D11 HydrophobicContact CB-CB 3.96Å; L7-D11 HydrophobicContact CD1-CB 4.33Å; L7-D11 HydrophobicContact CD2-CB 3.69Å; L7-D11 HydrophobicContact CG-CB 4.2Å; L7-Y12 HydrophobicContact CB-CD2 3.86Å; L7-Y12 HydrophobicContact CB-CE2 3.57Å; L7-Y12 HydrophobicContact CD1-CD2 4.4Å; L7-Y12 HydrophobicContact CD1-CE2 4.26Å; L7-L15 HydrophobicContact CD1-CD1 3.33Å; L7-H49 WeakPolarHBondContact CD1-CE1 3.45Å
8N76Confident76.2Confident115 Ų115105.2 Ų105.262%0.61555%0.55SS*.  trans-83166.1167.6-66.2-61.5000110.2G10 D11 Y12N8-G10 PolarHBondContact O-N 3.31Å; N8-D11 PolarHBondContact N-OD2 3.22Å; N8-D11 WeakPolarHBondContact O-CB 3.34Å; N8-D11 PolarHBondContact O-N 2.74Å; N8-Y12 PolarHBondContact O-N 2.79Å
9K73.6Confident77.4Confident195 Ų195100.1 Ų100.185%0.84852%0.524SS*.Hα-helixtrans-51.3-34.3177.4-173.2176.4179.7177.80113.5D11 Y13K9-D11 VanDerWaalsContact C-N 3.33Å; K9-Y13 PolarHBondContact O-N 3.39Å
10G77.5Confident78.4Confident46 Ų4698.8 Ų98.847%0.47452%0.516SS..Hα-helixtrans-67.7-31.3176.800000113.8N8 Y13 T14N8-G10 PolarHBondContact O-N 3.31Å; G10-Y13 PolarHBondContact O-N 3.33Å; G10-T14 PolarHBondContact O-N 3.43Å; G10-T14 PolarHBondContact O-OG1 3.46Å; G10-T14 VanDerWaalsContact O-OG1 3.11Å
11D87.8Confident79.4Confident65 Ų6598.8 Ų98.835%0.34851%0.514SS..Hα-helixtrans-73.7-44.7-179.7-53-40.6000110.1L7 N8 K9 Y13 T14 L15L7-D11 HydrophobicContact CB-CB 3.96Å; L7-D11 HydrophobicContact CD1-CB 4.33Å; L7-D11 HydrophobicContact CD2-CB 3.69Å; L7-D11 HydrophobicContact CG-CB 4.2Å; N8-D11 PolarHBondContact N-OD2 3.22Å; N8-D11 WeakPolarHBondContact O-CB 3.34Å; N8-D11 PolarHBondContact O-N 2.74Å; K9-D11 VanDerWaalsContact C-N 3.33Å; D11-Y13 VanDerWaalsContact C-N 3.26Å; D11-Y13 PolarHBondContact O-N 3.49Å; D11-T14 WeakPolarHBondContact O-CB 3.3Å; D11-T14 PolarHBondContact O-N 3.12Å; D11-L15 WeakPolarHBondContact O-CG 3.45Å; D11-L15 PolarHBondContact O-N 2.88Å
12Y90.2Very high82.1Confident72 Ų7289.7 Ų89.728%0.28247%0.468SS..Hα-helixtrans-57.5-37.5173.2-79.2-84.4000112.7L7 N8 T14 L15 L16 Y47 H49 D50L7-Y12 HydrophobicContact CB-CD2 3.86Å; L7-Y12 HydrophobicContact CB-CE2 3.57Å; L7-Y12 HydrophobicContact CD1-CD2 4.4Å; L7-Y12 HydrophobicContact CD1-CE2 4.26Å; N8-Y12 PolarHBondContact O-N 2.79Å; Y12-T14 VanDerWaalsContact C-N 3.34Å; Y12-T14 PolarHBondContact O-N 3.2Å; Y12-L15 PolarHBondContact O-N 3.25Å; Y12-L16 WeakPolarHBondContact O-CB 3.11Å; Y12-L16 PolarHBondContact O-N 3.29Å; Y12-Y47 HydrophobicContact CD1-CE2 4.38Å; Y12-H49 AromaticContact CE1-CE1 3.7Å; Y12-H49 AromaticContact CZ-CE1 3.64Å; Y12-H49 PolarHBondContact OH-CE1 2.84Å; Y12-D50 PolarHBondContact OH-OD2 2.89Å
13Y92.5Very high84.7Confident153 Ų15388.4 Ų88.460%0.645%0.448SS*.Hα-helixtrans-61.9-43.1175.6174.9-99.3000112K9 G10 D11 L16 K17K9-Y13 PolarHBondContact O-N 3.39Å; G10-Y13 PolarHBondContact O-N 3.33Å; D11-Y13 VanDerWaalsContact C-N 3.26Å; D11-Y13 PolarHBondContact O-N 3.49Å; Y13-L16 PolarHBondContact O-N 2.88Å; Y13-K17 WeakPolarHBondContact O-CB 3.39Å; Y13-K17 PolarHBondContact O-N 3.4Å
14T95.8Very high87.1Confident87 Ų8789 Ų8953%0.53444%0.444SS..Hα-helixtrans-65.4-44.4179.1-54.70000110.8G10 D11 Y12 K17 D18G10-T14 PolarHBondContact O-N 3.43Å; G10-T14 PolarHBondContact O-OG1 3.46Å; G10-T14 VanDerWaalsContact O-OG1 3.11Å; D11-T14 WeakPolarHBondContact O-CB 3.3Å; D11-T14 PolarHBondContact O-N 3.12Å; Y12-T14 VanDerWaalsContact C-N 3.34Å; Y12-T14 PolarHBondContact O-N 3.2Å; T14-K17 PolarHBondContact O-N 3.22Å; T14-D18 PolarHBondContact O-N 3.4Å
15L96.6Very high88.9Confident29 Ų2983.5 Ų83.515%0.15242%0.418CS..Hα-helixtrans-66-38.2176.2-61.3176.7000112.5L7 D11 Y12 K17 D18 L19 H45 H46 Y47L7-L15 HydrophobicContact CD1-CD1 3.33Å; D11-L15 WeakPolarHBondContact O-CG 3.45Å; D11-L15 PolarHBondContact O-N 2.88Å; Y12-L15 PolarHBondContact O-N 3.25Å; L15-K17 VanDerWaalsContact C-N 3.35Å; L15-D18 PolarHBondContact O-N 3.38Å; L15-L19 WeakPolarHBondContact O-CB 3.28Å; L15-L19 PolarHBondContact O-N 3.03Å; L15-H45 PolarHBondContact O-CE1 3.05Å; L15-H46 HydrophobicContact CD1-CB 4.45Å; L15-H46 WeakPolarHBondContact CD1-CD2 3.22Å; L15-H46 HydrophobicContact CD2-CB 4.08Å; L15-Y47 HydrophobicContact CB-CD2 4.16Å
16L96.9Very high90.6Very high61 Ų6185.5 Ų85.532%0.31944%0.435SS..Hα-helixtrans-64-43.6175.3179.758.8000110.7Y12 Y13 D18 L19 I20 Y47Y12-L16 WeakPolarHBondContact O-CB 3.11Å; Y12-L16 PolarHBondContact O-N 3.29Å; Y13-L16 PolarHBondContact O-N 2.88Å; L16-D18 VanDerWaalsContact C-N 3.34Å; L16-D18 PolarHBondContact O-N 3.41Å; L16-L19 PolarHBondContact O-N 3.01Å; L16-I20 HydrophobicContact CD1-CD1 3.92Å; L16-I20 HydrophobicContact CD1-CG1 4.16Å; L16-I20 HydrophobicContact CG-CD1 3.84Å; L16-I20 HydrophobicContact CG-CG1 4.48Å; L16-I20 WeakPolarHBondContact O-CB 3.39Å; L16-I20 VanDerWaalsContact O-CG1 3.22Å; L16-I20 WeakPolarHBondContact O-CG1 3.37Å; L16-I20 PolarHBondContact O-N 3.44Å; L16-Y47 HydrophobicContact CB-CD2 3.94Å; L16-Y47 HydrophobicContact CB-CE2 3.7Å; L16-Y47 HydrophobicContact CD1-CD2 4.38Å; L16-Y47 HydrophobicContact CD1-CE2 3.86Å; L16-Y47 HydrophobicContact CG-CE2 4.26Å
17K97.4Very high92Very high110 Ų11082.5 Ų82.548%0.47842%0.42SS..Hα-helixtrans-60.2-45.3176.6-175.8-178.9176.9-176.30111.3Y13 T14 L15 I20 Q21Y13-K17 WeakPolarHBondContact O-CB 3.39Å; Y13-K17 PolarHBondContact O-N 3.4Å; T14-K17 PolarHBondContact O-N 3.22Å; L15-K17 VanDerWaalsContact C-N 3.35Å; K17-I20 PolarHBondContact O-N 3.05Å; K17-Q21 WeakPolarHBondContact O-CG 3.01Å; K17-Q21 PolarHBondContact O-N 3.46Å
18D98Very high93.4Very high64 Ų6485.8 Ų85.834%0.34244%0.438SS..Hα-helixtrans-63.4-46.2177.1-171.160.2000112T14 L15 L16 I20 Q21 H22 H45T14-D18 PolarHBondContact O-N 3.4Å; L15-D18 PolarHBondContact O-N 3.38Å; L16-D18 VanDerWaalsContact C-N 3.34Å; L16-D18 PolarHBondContact O-N 3.41Å; D18-I20 VanDerWaalsContact C-N 3.34Å; D18-I20 PolarHBondContact O-N 2.96Å; D18-Q21 PolarHBondContact O-N 3.05Å; D18-H22 PolarHBondContact O-N 3.22Å; D18-H22 VanDerWaalsContact O-N 3.12Å; D18-H22 PolarHBondContact O-ND1 3.2Å; D18-H22 IonicContact OD1-CE1 3.38Å; D18-H22 PolarHBondContact OD1-CE1 3.44Å; D18-H22 IonicContact OD1-ND1 3.78Å; D18-H22 IonicContact OD2-CE1 3.46Å; D18-H22 PolarHBondContact OD2-CE1 2.84Å; D18-H22 IonicContact OD2-ND1 3.64Å; D18-H45 IonicContact OD2-CD2 3.99Å; D18-H45 IonicContact OD2-CE1 3.95Å; D18-H45 IonicContact OD2-NE2 3.05Å; D18-H45 PolarHBondContact OD2-NE2 3.06Å
19L98.2Very high94.4Very high9 Ų984 Ų845%0.04743%0.434CS..Hα-helixtrans-57.1-48.8175.3177.958.8000111.2L15 L16 Q21 H22 L23 H45 Y47 F48L15-L19 WeakPolarHBondContact O-CB 3.28Å; L15-L19 PolarHBondContact O-N 3.03Å; L16-L19 PolarHBondContact O-N 3.01Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 3.15Å; L19-H22 PolarHBondContact O-N 2.74Å; L19-L23 HydrophobicContact CD1-CD1 3.95Å; L19-L23 HydrophobicContact CD1-CG 4.16Å; L19-L23 HydrophobicContact CG-CD1 3.88Å; L19-L23 HydrophobicContact CG-CG 4.46Å; L19-L23 WeakPolarHBondContact O-CG 3.23Å; L19-L23 PolarHBondContact O-N 3.45Å; L19-H45 HydrophobicContact CD1-CB 4.11Å; L19-H45 PolarHBondContact N-NE2 3.47Å; L19-Y47 HydrophobicContact CD2-CD1 3.59Å; L19-Y47 HydrophobicContact CD2-CE1 4.29Å; L19-Y47 HydrophobicContact CD2-CG 3.88Å; L19-F48 HydrophobicContact CD2-CE2 3.77Å; L19-F48 HydrophobicContact CD2-CZ 4.02Å
20I98.2Very high95.5Very high74 Ų7477.3 Ų77.338%0.37941%0.412SS..Hα-helixtrans-57.9-48.9179-73.3168.9000109.3L16 K17 D18 H22 L23 I24L16-I20 HydrophobicContact CD1-CD1 3.92Å; L16-I20 HydrophobicContact CD1-CG1 4.16Å; L16-I20 HydrophobicContact CG-CD1 3.84Å; L16-I20 HydrophobicContact CG-CG1 4.48Å; L16-I20 WeakPolarHBondContact O-CB 3.39Å; L16-I20 VanDerWaalsContact O-CG1 3.22Å; L16-I20 WeakPolarHBondContact O-CG1 3.37Å; L16-I20 PolarHBondContact O-N 3.44Å; K17-I20 PolarHBondContact O-N 3.05Å; D18-I20 VanDerWaalsContact C-N 3.34Å; D18-I20 PolarHBondContact O-N 2.96Å; I20-H22 VanDerWaalsContact C-N 3.25Å; I20-H22 PolarHBondContact O-N 3.08Å; I20-L23 PolarHBondContact O-N 3.27Å; I20-I24 HydrophobicContact CG2-CD1 3.83Å; I20-I24 HydrophobicContact CG2-CG1 3.79Å; I20-I24 HydrophobicContact CG2-CG2 4.5Å; I20-I24 WeakPolarHBondContact O-CG1 3.41Å; I20-I24 PolarHBondContact O-N 2.91Å
21Q98Very high96.5Very high99 Ų9979.5 Ų79.546%0.46341%0.406SS..Hα-helixtrans-54.8-40.9178.9-75.3176.5-31.900112.4K17 D18 L19 Q25K17-Q21 WeakPolarHBondContact O-CG 3.01Å; K17-Q21 PolarHBondContact O-N 3.46Å; D18-Q21 PolarHBondContact O-N 3.05Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 3.15Å; Q21-Q25 WeakPolarHBondContact O-CG 3.5Å; Q21-Q25 PolarHBondContact O-NE2 3.01Å
22H98.4Very high97Very high48 Ų4878.7 Ų78.722%0.22240%0.398CS..Hα-helixtrans-70.9-28176.2-69.9107.1000114.3D18 L19 I20 Q25 Y32D18-H22 PolarHBondContact O-N 3.22Å; D18-H22 VanDerWaalsContact O-N 3.12Å; D18-H22 PolarHBondContact O-ND1 3.2Å; D18-H22 IonicContact OD1-CE1 3.38Å; D18-H22 PolarHBondContact OD1-CE1 3.44Å; D18-H22 IonicContact OD1-ND1 3.78Å; D18-H22 IonicContact OD2-CE1 3.46Å; D18-H22 PolarHBondContact OD2-CE1 2.84Å; D18-H22 IonicContact OD2-ND1 3.64Å; L19-H22 PolarHBondContact O-N 2.74Å; I20-H22 VanDerWaalsContact C-N 3.25Å; I20-H22 PolarHBondContact O-N 3.08Å; H22-Q25 WeakPolarHBondContact O-CG 3.43Å; H22-Y32 HydrophobicContact CB-CD1 3.63Å; H22-Y32 HydrophobicContact CB-CD2 3.8Å; H22-Y32 HydrophobicContact CB-CE1 3.75Å; H22-Y32 HydrophobicContact CB-CE2 3.93Å; H22-Y32 HydrophobicContact CB-CG 3.64Å; H22-Y32 AromaticContact CD2-CD1 3.88Å; H22-Y32 AromaticContact CD2-CE1 3.23Å; H22-Y32 WeakPolarHBondContact CD2-CE1 3.35Å; H22-Y32 AromaticContact CD2-CZ 3.55Å; H22-Y32 AromaticContact CG-CD1 3.98Å; H22-Y32 AromaticContact CG-CE1 3.55Å; H22-Y32 AromaticContact CG-CZ 3.55Å; H22-Y32 AromaticContact ND1-CZ 3.98Å; H22-Y32 AromaticContact NE2-CE1 3.96Å; H22-Y32 AromaticContact NE2-CZ 3.97Å; H22-Y32 PolarHBondContact O-N 3.07Å
23L98.4Very high97.4Very high64 Ų6477.1 Ų77.134%0.33540%0.404SS..Hα-helixtrans-83.4-39.1178.2-68.4174000113.1L19 I20 Q25 R31 I42L19-L23 HydrophobicContact CD1-CD1 3.95Å; L19-L23 HydrophobicContact CD1-CG 4.16Å; L19-L23 HydrophobicContact CG-CD1 3.88Å; L19-L23 HydrophobicContact CG-CG 4.46Å; L19-L23 WeakPolarHBondContact O-CG 3.23Å; L19-L23 PolarHBondContact O-N 3.45Å; I20-L23 PolarHBondContact O-N 3.27Å; L23-Q25 VanDerWaalsContact C-N 3.3Å; L23-Q25 PolarHBondContact O-N 3.09Å; L23-R31 VanDerWaalsContact O-CD 3.28Å; L23-R31 WeakPolarHBondContact O-CD 3.37Å; L23-R31 VanDerWaalsContact O-CG 3.3Å; L23-R31 WeakPolarHBondContact O-CG 3.49Å; L23-R31 PolarHBondContact O-NE 3.47Å; L23-I42 HydrophobicContact CD2-CD1 3.8Å; L23-I42 HydrophobicContact CD2-CG1 4.08Å
24I97.8Very high97.6Very high126 Ų12674.8 Ų74.865%0.64640%0.402SS*.SBendtrans-94.439.2-178.462.1154.6000113I20I20-I24 HydrophobicContact CG2-CD1 3.83Å; I20-I24 HydrophobicContact CG2-CG1 3.79Å; I20-I24 HydrophobicContact CG2-CG2 4.5Å; I20-I24 WeakPolarHBondContact O-CG1 3.41Å; I20-I24 PolarHBondContact O-N 2.91Å
25Q97.9Very high97.7Very high63 Ų6373.3 Ų73.329%0.29439%0.391SS..  trans-70.4134.9174.8-70.7-66.5-25.700111.5Q21 H22 L23 R31Q21-Q25 WeakPolarHBondContact O-CG 3.5Å; Q21-Q25 PolarHBondContact O-NE2 3.01Å; H22-Q25 WeakPolarHBondContact O-CG 3.43Å; L23-Q25 VanDerWaalsContact C-N 3.3Å; L23-Q25 PolarHBondContact O-N 3.09Å; Q25-R31 HydrophobicContact CB-CB 4.03Å; Q25-R31 HydrophobicContact CB-CG 4.35Å; Q25-R31 PolarHBondContact O-NE 2.96Å; Q25-R31 PolarHBondContact O-NH2 3.46Å
26V98Very high97.8Very high144 Ų14481.8 Ų81.887%0.87343%0.426SS*.SBendtrans-67.7-45173176.10000110.2
27D97.7Very high97.8Very high79 Ų7983.3 Ų83.342%0.42244%0.435SS..SBendtrans-80.2116.6173.717223.2000110.6S29 S30 R31D27-S29 VanDerWaalsContact CG-OG 3.23Å; D27-S29 PolarHBondContact O-N 3.11Å; D27-S29 WeakPolarHBondContact OD1-CB 3.21Å; D27-S29 PolarHBondContact OD1-N 3.27Å; D27-S29 PolarHBondContact OD1-OG 2.94Å; D27-S29 PolarHBondContact OD2-OG 3.4Å; D27-S30 PolarHBondContact O-N 3.27Å; D27-S30 PolarHBondContact OD2-OG 3.31Å; D27-R31 PolarHBondContact O-N 3.44Å
28L96.9Very high97.9Very high99 Ų9979 Ų7952%0.51842%0.422SS..G310 helixtrans-62-30.4179.4-57.9-178.1000112.4S30 R31 N34L28-S30 PolarHBondContact O-N 2.8Å; L28-R31 VanDerWaalsContact CD2-NH2 3.28Å; L28-R31 PolarHBondContact O-N 3.49Å; L28-N34 PolarHBondContact O-ND2 3.32Å
29S96.8Very high97.8Very high78 Ų7880.5 Ų80.555%0.54543%0.428SS..G310 helixtrans-71-13.8-178.580.50000113.5D27 L35D27-S29 VanDerWaalsContact CG-OG 3.23Å; D27-S29 PolarHBondContact O-N 3.11Å; D27-S29 WeakPolarHBondContact OD1-CB 3.21Å; D27-S29 PolarHBondContact OD1-N 3.27Å; D27-S29 PolarHBondContact OD1-OG 2.94Å; D27-S29 PolarHBondContact OD2-OG 3.4Å; S29-L35 WeakPolarHBondContact O-CD2 3.48Å
30S96.8Very high97.9Very high54 Ų5483.9 Ų83.938%0.37845%0.447SS..G310 helixtrans-106.2-4176.7-61.20000113D27 L28D27-S30 PolarHBondContact O-N 3.27Å; D27-S30 PolarHBondContact OD2-OG 3.31Å; L28-S30 PolarHBondContact O-N 2.8Å
31R98.5Very high97.9Very high92 Ų9281.4 Ų81.435%0.34743%0.434SS..SBendtrans-78.5130.9-176.4-166.7-178.9-67170.9-2.9111.4L23 Q25 D27 L28 N34L23-R31 VanDerWaalsContact O-CD 3.28Å; L23-R31 WeakPolarHBondContact O-CD 3.37Å; L23-R31 VanDerWaalsContact O-CG 3.3Å; L23-R31 WeakPolarHBondContact O-CG 3.49Å; L23-R31 PolarHBondContact O-NE 3.47Å; Q25-R31 HydrophobicContact CB-CB 4.03Å; Q25-R31 HydrophobicContact CB-CG 4.35Å; Q25-R31 PolarHBondContact O-NE 2.96Å; Q25-R31 PolarHBondContact O-NH2 3.46Å; D27-R31 PolarHBondContact O-N 3.44Å; L28-R31 VanDerWaalsContact CD2-NH2 3.28Å; L28-R31 PolarHBondContact O-N 3.49Å; R31-N34 WeakPolarHBondContact O-CB 3.34Å; R31-N34 PolarHBondContact O-N 2.97Å
32Y98.4Very high97.9Very high48 Ų4878.3 Ų78.319%0.18842%0.421CS..THydrogen-bonded Turntrans-55.8142.1170.8-87.125.1000111.3H22 N34 L35 D41 I42 H45H22-Y32 HydrophobicContact CB-CD1 3.63Å; H22-Y32 HydrophobicContact CB-CD2 3.8Å; H22-Y32 HydrophobicContact CB-CE1 3.75Å; H22-Y32 HydrophobicContact CB-CE2 3.93Å; H22-Y32 HydrophobicContact CB-CG 3.64Å; H22-Y32 AromaticContact CD2-CD1 3.88Å; H22-Y32 AromaticContact CD2-CE1 3.23Å; H22-Y32 WeakPolarHBondContact CD2-CE1 3.35Å; H22-Y32 AromaticContact CD2-CZ 3.55Å; H22-Y32 AromaticContact CG-CD1 3.98Å; H22-Y32 AromaticContact CG-CE1 3.55Å; H22-Y32 AromaticContact CG-CZ 3.55Å; H22-Y32 AromaticContact ND1-CZ 3.98Å; H22-Y32 AromaticContact NE2-CE1 3.96Å; H22-Y32 AromaticContact NE2-CZ 3.97Å; H22-Y32 PolarHBondContact O-N 3.07Å; Y32-N34 VanDerWaalsContact C-N 3.28Å; Y32-L35 HydrophobicContact CD1-CD1 3.87Å; Y32-L35 HydrophobicContact CE1-CD1 4.09Å; Y32-D41 HydrophobicContact CD1-CB 4.04Å; Y32-D41 HydrophobicContact CD2-CB 3.84Å; Y32-D41 WeakPolarHBondContact CD2-O 3.34Å; Y32-D41 HydrophobicContact CE1-CB 4.26Å; Y32-D41 HydrophobicContact CE2-CB 4.04Å; Y32-D41 WeakPolarHBondContact CE2-O 3.31Å; Y32-D41 HydrophobicContact CG-CB 3.85Å; Y32-I42 HydrophobicContact CD2-CG1 4.25Å; Y32-H45 HydrophobicContact CE2-CB 4.45Å; Y32-H45 AromaticContact CE2-CD2 3.86Å
33G98Very high97.9Very high39 Ų3979.7 Ų79.740%0.40243%0.426SS..THydrogen-bonded Turntrans89.9-19.8-170.300000114G38G33-G38 WeakPolarHBondContact CA-O 3.19Å; G33-G38 PolarHBondContact N-O 3Å
34N98Very high97.8Very high104 Ų10482.7 Ų82.756%0.55644%0.442SS*.SBendtrans-113.3-2.9177.6-167.154.4000113.9L28 R31 Y32L28-N34 PolarHBondContact O-ND2 3.32Å; R31-N34 WeakPolarHBondContact O-CB 3.34Å; R31-N34 PolarHBondContact O-N 2.97Å; Y32-N34 VanDerWaalsContact C-N 3.28Å
35L97.6Very high97.8Very high56 Ų5677.3 Ų77.329%0.29341%0.414SS..SBendtrans-78.2179.2175.2-45.8-177.4000111S29 Y32 N37 G38 D41S29-L35 WeakPolarHBondContact O-CD2 3.48Å; Y32-L35 HydrophobicContact CD1-CD1 3.87Å; Y32-L35 HydrophobicContact CE1-CD1 4.09Å; L35-N37 PolarHBondContact O-N 3.07Å; L35-N37 VanDerWaalsContact O-N 3.15Å; L35-G38 PolarHBondContact O-N 3.21Å; L35-D41 WeakPolarHBondContact CB-OD2 3.41Å
36K97.8Very high97.7Very high206 Ų20677.9 Ų77.990%0.89642%0.417SS*.THydrogen-bonded Turntrans-54.2-34.7-179.7-172.1-179.2176.7-177.60114G38K36-G38 VanDerWaalsContact C-N 3.31Å
37N97.9Very high97.6Very high94 Ų9474.4 Ų74.450%0.50339%0.389SS..THydrogen-bonded Turntrans-87.1-3.8-179.9-50.2-41.7000112.7L35 I39 N40 D41L35-N37 PolarHBondContact O-N 3.07Å; L35-N37 VanDerWaalsContact O-N 3.15Å; N37-I39 PolarHBondContact O-N 3.37Å; N37-N40 HydrophobicContact CB-CB 4.16Å; N37-N40 WeakPolarHBondContact O-CB 3.4Å; N37-N40 PolarHBondContact O-N 3.41Å; N37-N40 VanDerWaalsContact O-N 3.08Å; N37-D41 WeakPolarHBondContact CB-OD1 3.44Å; N37-D41 WeakPolarHBondContact CB-OD2 3.39Å; N37-D41 PolarHBondContact ND2-OD1 3.33Å
38G97.8Very high97.5Very high20 Ų2072.9 Ų72.921%0.20638%0.378CS..THydrogen-bonded Turntrans54.8-125.5179.800000112.3G33 L35 K36 N40 D41G33-G38 WeakPolarHBondContact CA-O 3.19Å; G33-G38 PolarHBondContact N-O 3Å; L35-G38 PolarHBondContact O-N 3.21Å; K36-G38 VanDerWaalsContact C-N 3.31Å; G38-N40 PolarHBondContact O-N 3.12Å; G38-D41 PolarHBondContact O-N 2.82Å
39I97.7Very high97.4Very high94 Ų9471.5 Ų71.548%0.48237%0.369SS..Hα-helixtrans-62-22.1-179.8-16955.2000113.6N37 D41 I42 K43N37-I39 PolarHBondContact O-N 3.37Å; I39-D41 VanDerWaalsContact C-N 3.28Å; I39-D41 PolarHBondContact O-N 3.47Å; I39-I42 HydrophobicContact CD1-CB 4.27Å; I39-I42 HydrophobicContact CD1-CD1 4.06Å; I39-I42 PolarHBondContact O-N 3.17Å; I39-I42 VanDerWaalsContact O-N 3.12Å; I39-K43 HydrophobicContact CG1-CD 4.38Å; I39-K43 HydrophobicContact CG1-CG 4.24Å; I39-K43 PolarHBondContact O-N 3.42Å
40N98.3Very high97.2Very high80 Ų8072.6 Ų72.643%0.42837%0.369SS..Hα-helixtrans-69.9-25.3-176.5-67.6-33.4000112.6N37 G38 I42 K43 N44N37-N40 HydrophobicContact CB-CB 4.16Å; N37-N40 WeakPolarHBondContact O-CB 3.4Å; N37-N40 PolarHBondContact O-N 3.41Å; N37-N40 VanDerWaalsContact O-N 3.08Å; G38-N40 PolarHBondContact O-N 3.12Å; N40-I42 PolarHBondContact O-N 3.08Å; N40-K43 PolarHBondContact O-N 2.95Å; N40-N44 WeakPolarHBondContact O-CB 3.19Å; N40-N44 VanDerWaalsContact O-CG 3.24Å; N40-N44 PolarHBondContact O-N 3.07Å; N40-N44 PolarHBondContact O-ND2 3.38Å; N40-N44 VanDerWaalsContact O-ND2 3.14Å
41D98.5Very high97.1Very high23 Ų2372.2 Ų72.212%0.12336%0.362CS..Hα-helixtrans-63.6-34.4172.5-64.2-46.3000111.2Y32 L35 N37 G38 I39 H45Y32-D41 HydrophobicContact CD1-CB 4.04Å; Y32-D41 HydrophobicContact CD2-CB 3.84Å; Y32-D41 WeakPolarHBondContact CD2-O 3.34Å; Y32-D41 HydrophobicContact CE1-CB 4.26Å; Y32-D41 HydrophobicContact CE2-CB 4.04Å; Y32-D41 WeakPolarHBondContact CE2-O 3.31Å; Y32-D41 HydrophobicContact CG-CB 3.85Å; L35-D41 WeakPolarHBondContact CB-OD2 3.41Å; N37-D41 WeakPolarHBondContact CB-OD1 3.44Å; N37-D41 WeakPolarHBondContact CB-OD2 3.39Å; N37-D41 PolarHBondContact ND2-OD1 3.33Å; G38-D41 PolarHBondContact O-N 2.82Å; I39-D41 VanDerWaalsContact C-N 3.28Å; I39-D41 PolarHBondContact O-N 3.47Å; D41-H45 PolarHBondContact O-N 3.18Å
42I98.5Very high97Very high34 Ų3471.8 Ų71.817%0.17437%0.367CS..Hα-helixtrans-75.9-50.5175.5-57.5174.5000110.2L23 Y32 I39 N40 N44 H45 F48L23-I42 HydrophobicContact CD2-CD1 3.8Å; L23-I42 HydrophobicContact CD2-CG1 4.08Å; Y32-I42 HydrophobicContact CD2-CG1 4.25Å; I39-I42 HydrophobicContact CD1-CB 4.27Å; I39-I42 HydrophobicContact CD1-CD1 4.06Å; I39-I42 PolarHBondContact O-N 3.17Å; I39-I42 VanDerWaalsContact O-N 3.12Å; N40-I42 PolarHBondContact O-N 3.08Å; I42-N44 VanDerWaalsContact C-N 3.26Å; I42-N44 PolarHBondContact O-N 2.94Å; I42-H45 VanDerWaalsContact O-CB 3.31Å; I42-H45 WeakPolarHBondContact O-CB 3.21Å; I42-H45 PolarHBondContact O-N 3.21Å; I42-H45 VanDerWaalsContact O-N 3.16Å; I42-F48 HydrophobicContact CG2-CE2 3.96Å; I42-F48 VanDerWaalsContact O-CD2 3.3Å; I42-F48 WeakPolarHBondContact O-CD2 3.2Å
43K98Very high97Very high76 Ų7673.3 Ų73.333%0.3337%0.373SS..Hα-helixtrans-61.9-33.6-176.1-73.6-172.7173.6-179.10113.6I39 N40 W53I39-K43 HydrophobicContact CG1-CD 4.38Å; I39-K43 HydrophobicContact CG1-CG 4.24Å; I39-K43 PolarHBondContact O-N 3.42Å; N40-K43 PolarHBondContact O-N 2.95Å; K43-W53 HydrophobicContact CB-CD2 4.46Å; K43-W53 HydrophobicContact CB-CZ2 3.95Å; K43-W53 HydrophobicContact CD-CD2 4.09Å; K43-W53 HydrophobicContact CD-CE3 4.45Å; K43-W53 HydrophobicContact CD-CG 4.33Å; K43-W53 HydrophobicContact CG-CD2 3.99Å; K43-W53 HydrophobicContact CG-CE3 4.36Å; K43-W53 HydrophobicContact CG-CH2 4.13Å; K43-W53 HydrophobicContact CG-CZ2 3.73Å; K43-W53 HydrophobicContact CG-CZ3 4.42Å; K43-W53 PolarHBondContact O-NE1 3.42Å; K43-W53 VanDerWaalsContact O-NE1 3.09Å
44N97.5Very high96.9Very high127 Ų12777.3 Ų77.368%0.67938%0.384SS*.THydrogen-bonded Turntrans-93.40.1-178.6-61-29.9000113N40 I42 H46N40-N44 WeakPolarHBondContact O-CB 3.19Å; N40-N44 VanDerWaalsContact O-CG 3.24Å; N40-N44 PolarHBondContact O-N 3.07Å; N40-N44 PolarHBondContact O-ND2 3.38Å; N40-N44 VanDerWaalsContact O-ND2 3.14Å; I42-N44 VanDerWaalsContact C-N 3.26Å; I42-N44 PolarHBondContact O-N 2.94Å; N44-H46 PolarHBondContact O-N 3.34Å
45H97.8Very high96.9Very high13 Ų1376.2 Ų76.26%0.0638%0.376CS..SBendtrans-62.6135.9174.5-173.9-83.2000110L15 D18 L19 Y32 D41 I42 Y47 F48L15-H45 PolarHBondContact O-CE1 3.05Å; D18-H45 IonicContact OD2-CD2 3.99Å; D18-H45 IonicContact OD2-CE1 3.95Å; D18-H45 IonicContact OD2-NE2 3.05Å; D18-H45 PolarHBondContact OD2-NE2 3.06Å; L19-H45 HydrophobicContact CD1-CB 4.11Å; L19-H45 PolarHBondContact N-NE2 3.47Å; Y32-H45 HydrophobicContact CE2-CB 4.45Å; Y32-H45 AromaticContact CE2-CD2 3.86Å; D41-H45 PolarHBondContact O-N 3.18Å; I42-H45 VanDerWaalsContact O-CB 3.31Å; I42-H45 WeakPolarHBondContact O-CB 3.21Å; I42-H45 PolarHBondContact O-N 3.21Å; I42-H45 VanDerWaalsContact O-N 3.16Å; H45-Y47 WeakPolarHBondContact ND1-CB 3.3Å; H45-Y47 PolarHBondContact ND1-N 2.78Å; H45-Y47 PolarHBondContact O-N 3.01Å; H45-F48 PolarHBondContact O-N 3.08Å
46H95.5Very high97Very high76 Ų7677.2 Ų77.235%0.35238%0.381SS..G310 helixtrans-62.6-19.3-171.1-166.665000113.8L15 N44 F48 H49L15-H46 HydrophobicContact CD1-CB 4.45Å; L15-H46 WeakPolarHBondContact CD1-CD2 3.22Å; L15-H46 HydrophobicContact CD2-CB 4.08Å; N44-H46 PolarHBondContact O-N 3.34Å; H46-F48 PolarHBondContact O-N 2.87Å; H46-H49 VanDerWaalsContact O-CB 3.25Å; H46-H49 WeakPolarHBondContact O-CB 3.25Å; H46-H49 VanDerWaalsContact O-CG 3.31Å; H46-H49 PolarHBondContact O-N 2.78Å; H46-H49 VanDerWaalsContact O-N 3.08Å; H46-H49 PolarHBondContact O-ND1 3.09Å
47Y96.2Very high97Very high70 Ų7076.1 Ų76.128%0.27537%0.372SS..G310 helixtrans-52.5-34.3168-177.3-99.4000113.2Y12 L15 L16 L19 H45Y12-Y47 HydrophobicContact CD1-CE2 4.38Å; L15-Y47 HydrophobicContact CB-CD2 4.16Å; L16-Y47 HydrophobicContact CB-CD2 3.94Å; L16-Y47 HydrophobicContact CB-CE2 3.7Å; L16-Y47 HydrophobicContact CD1-CD2 4.38Å; L16-Y47 HydrophobicContact CD1-CE2 3.86Å; L16-Y47 HydrophobicContact CG-CE2 4.26Å; L19-Y47 HydrophobicContact CD2-CD1 3.59Å; L19-Y47 HydrophobicContact CD2-CE1 4.29Å; L19-Y47 HydrophobicContact CD2-CG 3.88Å; H45-Y47 WeakPolarHBondContact ND1-CB 3.3Å; H45-Y47 PolarHBondContact ND1-N 2.78Å; H45-Y47 PolarHBondContact O-N 3.01Å
48F96.1Very high97Very high47 Ų4777 Ų7721%0.20637%0.373CS..G310 helixtrans-98.719.6179.3-60.8-67.6000113.5L19 I42 H45 H46 D50 L51 W53L19-F48 HydrophobicContact CD2-CE2 3.77Å; L19-F48 HydrophobicContact CD2-CZ 4.02Å; I42-F48 HydrophobicContact CG2-CE2 3.96Å; I42-F48 VanDerWaalsContact O-CD2 3.3Å; I42-F48 WeakPolarHBondContact O-CD2 3.2Å; H45-F48 PolarHBondContact O-N 3.08Å; H46-F48 PolarHBondContact O-N 2.87Å; F48-D50 PolarHBondContact O-N 3.19Å; F48-D50 VanDerWaalsContact O-N 3.14Å; F48-L51 HydrophobicContact CB-CB 4.22Å; F48-L51 HydrophobicContact CD1-CD2 3.84Å; F48-L51 HydrophobicContact CE1-CD2 4.48Å; F48-L51 HydrophobicContact CG-CD2 4.49Å; F48-L51 WeakPolarHBondContact O-CB 3.35Å; F48-L51 PolarHBondContact O-N 3.48Å; F48-W53 HydrophobicContact CB-CZ2 4.03Å; F48-W53 HydrophobicContact CD1-CH2 4.44Å; F48-W53 HydrophobicContact CD1-CZ2 4.26Å; F48-W53 HydrophobicContact CD2-CZ2 4.09Å; F48-W53 HydrophobicContact CG-CH2 4.43Å; F48-W53 AromaticContact CG-CZ2 3.88Å; F48-W53 HydrophobicContact CG-CZ2 3.88Å
49H93.3Very high96.9Very high70 Ų7083.4 Ų83.432%0.32440%0.402SS..THydrogen-bonded Turntrans-57.6-27.9-175.667.9-70.1000114.3L7 Y12 H46L7-H49 WeakPolarHBondContact CD1-CE1 3.45Å; Y12-H49 AromaticContact CE1-CE1 3.7Å; Y12-H49 AromaticContact CZ-CE1 3.64Å; Y12-H49 PolarHBondContact OH-CE1 2.84Å; H46-H49 VanDerWaalsContact O-CB 3.25Å; H46-H49 WeakPolarHBondContact O-CB 3.25Å; H46-H49 VanDerWaalsContact O-CG 3.31Å; H46-H49 PolarHBondContact O-N 2.78Å; H46-H49 VanDerWaalsContact O-N 3.08Å; H46-H49 PolarHBondContact O-ND1 3.09Å
50D92.5Very high96.9Very high102 Ų10284 Ų8455%0.54541%0.406SS..THydrogen-bonded Turntrans-95.7-1.2179.559.6-10.5000113.4Y12 F48Y12-D50 PolarHBondContact OH-OD2 2.89Å; F48-D50 PolarHBondContact O-N 3.19Å; F48-D50 VanDerWaalsContact O-N 3.14Å
51L94.8Very high96.8Very high46 Ų4683.4 Ų83.424%0.24140%0.402CS..  trans-92.8115.1-178.9-177.361.4000111.9F48 W53 L56 I61F48-L51 HydrophobicContact CB-CB 4.22Å; F48-L51 HydrophobicContact CD1-CD2 3.84Å; F48-L51 HydrophobicContact CE1-CD2 4.48Å; F48-L51 HydrophobicContact CG-CD2 4.49Å; F48-L51 WeakPolarHBondContact O-CB 3.35Å; F48-L51 PolarHBondContact O-N 3.48Å; L51-W53 HydrophobicContact CD2-CD2 4.19Å; L51-W53 HydrophobicContact CD2-CE3 4.1Å; L51-W53 HydrophobicContact CD2-CH2 3.68Å; L51-W53 HydrophobicContact CD2-CZ2 3.75Å; L51-W53 HydrophobicContact CD2-CZ3 3.86Å; L51-W53 PolarHBondContact O-N 2.89Å; L51-L56 HydrophobicContact CD1-CB 4.46Å; L51-L56 HydrophobicContact CD1-CD2 4.34Å; L51-L56 HydrophobicContact CD2-CD2 4.23Å; L51-I61 HydrophobicContact CD1-CD1 3.7Å
52N96.4Very high96.7Very high83 Ų8391 Ų9144%0.44443%0.434SS..  trans-83.1101.4168.6-173-38.7000111L54 Q55 L56N52-L54 VanDerWaalsContact C-N 3.28Å; N52-L54 PolarHBondContact O-N 3.16Å; N52-L54 WeakPolarHBondContact OD1-CB 3.3Å; N52-L54 PolarHBondContact OD1-N 3.41Å; N52-Q55 HydrophobicContact CB-CB 4.03Å; N52-Q55 HydrophobicContact CB-CG 3.94Å; N52-Q55 VanDerWaalsContact CG-CG 3.47Å; N52-Q55 PolarHBondContact O-N 3.29Å; N52-Q55 PolarHBondContact OD1-N 2.97Å; N52-L56 PolarHBondContact O-N 2.98Å
53W97.8Very high96.5Very high80 Ų8092.8 Ų92.830%0.30345%0.448SS..Hα-helixtrans-57.5-33.3-179.7-66.1103000114.7K43 F48 L51 L56 Y57K43-W53 HydrophobicContact CB-CD2 4.46Å; K43-W53 HydrophobicContact CB-CZ2 3.95Å; K43-W53 HydrophobicContact CD-CD2 4.09Å; K43-W53 HydrophobicContact CD-CE3 4.45Å; K43-W53 HydrophobicContact CD-CG 4.33Å; K43-W53 HydrophobicContact CG-CD2 3.99Å; K43-W53 HydrophobicContact CG-CE3 4.36Å; K43-W53 HydrophobicContact CG-CH2 4.13Å; K43-W53 HydrophobicContact CG-CZ2 3.73Å; K43-W53 HydrophobicContact CG-CZ3 4.42Å; K43-W53 PolarHBondContact O-NE1 3.42Å; K43-W53 VanDerWaalsContact O-NE1 3.09Å; F48-W53 HydrophobicContact CB-CZ2 4.03Å; F48-W53 HydrophobicContact CD1-CH2 4.44Å; F48-W53 HydrophobicContact CD1-CZ2 4.26Å; F48-W53 HydrophobicContact CD2-CZ2 4.09Å; F48-W53 HydrophobicContact CG-CH2 4.43Å; F48-W53 AromaticContact CG-CZ2 3.88Å; F48-W53 HydrophobicContact CG-CZ2 3.88Å; L51-W53 HydrophobicContact CD2-CD2 4.19Å; L51-W53 HydrophobicContact CD2-CE3 4.1Å; L51-W53 HydrophobicContact CD2-CH2 3.68Å; L51-W53 HydrophobicContact CD2-CZ2 3.75Å; L51-W53 HydrophobicContact CD2-CZ3 3.86Å; L51-W53 PolarHBondContact O-N 2.89Å; W53-L56 HydrophobicContact CE3-CD2 4.15Å; W53-L56 HydrophobicContact CZ3-CD2 4.18Å; W53-Y57 WeakPolarHBondContact O-CB 3.49Å; W53-Y57 PolarHBondContact O-N 3.11Å
54L97.7Very high96.4Very high122 Ų12296.1 Ų96.164%0.63948%0.477SS*.Hα-helixtrans-73.6-39.4178.4-72172.2000111.7N52 L56 Y57 H58N52-L54 VanDerWaalsContact C-N 3.28Å; N52-L54 PolarHBondContact O-N 3.16Å; N52-L54 WeakPolarHBondContact OD1-CB 3.3Å; N52-L54 PolarHBondContact OD1-N 3.41Å; L54-L56 VanDerWaalsContact C-N 3.34Å; L54-Y57 PolarHBondContact O-N 3.02Å; L54-H58 PolarHBondContact O-N 3.21Å; L54-H58 PolarHBondContact O-ND1 3.09Å
55Q98Very high96.3Very high82 Ų8297.3 Ų97.338%0.38347%0.473SS..Hα-helixtrans-67.4-38.1174.9-64.9-71-000111.2N52 H58 L59 N60 I61N52-Q55 HydrophobicContact CB-CB 4.03Å; N52-Q55 HydrophobicContact CB-CG 3.94Å; N52-Q55 VanDerWaalsContact CG-CG 3.47Å; N52-Q55 PolarHBondContact O-N 3.29Å; N52-Q55 PolarHBondContact OD1-N 2.97Å; Q55-H58 PolarHBondContact O-N 3.46Å; Q55-L59 PolarHBondContact O-N 3Å; Q55-N60 HydrophobicContact CB-CB 4.37Å; Q55-N60 PolarHBondContact O-N 3.14Å; Q55-N60 PolarHBondContact OE1-ND2 3.26Å; Q55-I61 HydrophobicContact CB-CD1 4.21Å; Q55-I61 HydrophobicContact CB-CG1 3.79Å
56L97.7Very high96.1Very high76 Ų76104.1 Ų104.140%0.39851%0.505SS..Hα-helixtrans-60.2-48173.4-17863000110.7L51 N52 W53 L54 H58 L59 I61L51-L56 HydrophobicContact CD1-CB 4.46Å; L51-L56 HydrophobicContact CD1-CD2 4.34Å; L51-L56 HydrophobicContact CD2-CD2 4.23Å; N52-L56 PolarHBondContact O-N 2.98Å; W53-L56 HydrophobicContact CE3-CD2 4.15Å; W53-L56 HydrophobicContact CZ3-CD2 4.18Å; L54-L56 VanDerWaalsContact C-N 3.34Å; L56-H58 VanDerWaalsContact C-N 3.33Å; L56-H58 PolarHBondContact O-N 2.66Å; L56-L59 PolarHBondContact O-N 3.43Å; L56-I61 HydrophobicContact CB-CD1 3.72Å; L56-I61 HydrophobicContact CD1-CD1 4.27Å
57Y97.9Very high95.9Very high183 Ų183104 Ų10472%0.71851%0.511SS*.Hα-helixtrans-61.1-40.3179.6177.1-101.8000112.6W53 L54 L59W53-Y57 WeakPolarHBondContact O-CB 3.49Å; W53-Y57 PolarHBondContact O-N 3.11Å; L54-Y57 PolarHBondContact O-N 3.02Å; Y57-L59 PolarHBondContact O-N 3.21Å
58H98.2Very high95.5Very high112 Ų112104 Ų10452%0.51952%0.521SS..THydrogen-bonded Turntrans-807.2175.7-64.9150.7000114.2L54 Q55 L56 N60L54-H58 PolarHBondContact O-N 3.21Å; L54-H58 PolarHBondContact O-ND1 3.09Å; Q55-H58 PolarHBondContact O-N 3.46Å; L56-H58 VanDerWaalsContact C-N 3.33Å; L56-H58 PolarHBondContact O-N 2.66Å; H58-N60 PolarHBondContact O-N 3.15Å; H58-N60 PolarHBondContact O-OD1 3.14Å
59L97.1Very high95.1Very high156 Ų156108.2 Ų108.282%0.81755%0.545SS*.THydrogen-bonded Turntrans57.528.2-178.4-52.8176.7000113.8Q55 L56 Y57Q55-L59 PolarHBondContact O-N 3Å; L56-L59 PolarHBondContact O-N 3.43Å; Y57-L59 PolarHBondContact O-N 3.21Å
60N97.8Very high94.5Very high106 Ų106110.3 Ų110.357%0.56756%0.558SS**  trans-92.6-2.7-178.1-73.6-19.2000113.3Q55 H58Q55-N60 HydrophobicContact CB-CB 4.37Å; Q55-N60 PolarHBondContact O-N 3.14Å; Q55-N60 PolarHBondContact OE1-ND2 3.26Å; H58-N60 PolarHBondContact O-N 3.15Å; H58-N60 PolarHBondContact O-OD1 3.14Å
61I96.2Very high93.9Very high67 Ų67111.9 Ų111.934%0.34456%0.558SS.*SBendtrans-87.2126.6173.6-59.3-178000108.3L51 Q55 L56 P63L51-I61 HydrophobicContact CD1-CD1 3.7Å; Q55-I61 HydrophobicContact CB-CD1 4.21Å; Q55-I61 HydrophobicContact CB-CG1 3.79Å; L56-I61 HydrophobicContact CB-CD1 3.72Å; L56-I61 HydrophobicContact CD1-CD1 4.27Å; I61-P63 WeakPolarHBondContact O-CD 3.49Å
62K95.6Very high93.1Very high184 Ų184117 Ų11780%0.859%0.591SS**PPolyproline II helixtrans-62.8122.6172.9-176.7179.4178.1-179.10109.3
63P95.2Very high92.1Very high71 Ų71117 Ų11746%0.46159%0.594SS.*PPolyproline II helixtrans-66.7148.5179.328.5-35.1000110.7I61 Y65I61-P63 WeakPolarHBondContact O-CD 3.49Å; P63-Y65 PolarHBondContact O-N 3.29Å
64P95.2Very high91.1Very high146 Ų146124.2 Ų124.295%0.94862%0.623SS**SBendtrans-69.2-22.5177.228.2-34.8000112.8
65Y95.7Very high90.3Very high151 Ų151124.3 Ų124.359%0.59262%0.624SS**  trans-135.2133.2176.8175.1-109.9000109.8P63 P67P63-Y65 PolarHBondContact O-N 3.29Å; Y65-P67 HydrophobicContact CD1-CG 4.27Å; Y65-P67 HydrophobicContact CE1-CB 4.19Å; Y65-P67 HydrophobicContact CE1-CG 3.71Å
66Q92.5Very high89.6Confident156 Ų156121.8 Ų121.873%0.72961%0.613SS**  trans-123.6114.3173-175.7173.4-1100107.4
67P91.5Very high89Confident74 Ų74122.8 Ų122.848%0.48162%0.618SS.*PPolyproline II helixtrans-56.9143.9178.2-21.329.5000111.9Y65 H79Y65-P67 HydrophobicContact CD1-CG 4.27Å; Y65-P67 HydrophobicContact CE1-CB 4.19Å; Y65-P67 HydrophobicContact CE1-CG 3.71Å; P67-H79 WeakPolarHBondContact CB-NE2 3.13Å
68S88.4Confident88.5Confident70 Ų70116.4 Ų116.449%0.4960%0.596SS.*PPolyproline II helixtrans-93.5122.1-178.852.90000111.2L70 H79S68-L70 PolarHBondContact O-N 3.01Å; S68-H79 PolarHBondContact N-NE2 3.23Å; S68-H79 PolarHBondContact O-CE1 2.91Å
69L87.3Confident88Confident135 Ų135115.5 Ų115.571%0.70759%0.592SS**PPolyproline II helixtrans-71.7126170.7-62.6172.5000109.5D76L69-D76 WeakPolarHBondContact CA-OD2 3.5Å; L69-D76 HydrophobicContact CD2-CB 4.21Å
70L81.7Confident87.5Confident115 Ų115114.2 Ų114.260%0.60258%0.583SS**SBendtrans-88.8-27.5167.9-50.6-177.7000110.9S68 D76 N78S68-L70 PolarHBondContact O-N 3.01Å; L70-D76 PolarHBondContact N-OD2 3.42Å; L70-N78 WeakPolarHBondContact CB-ND2 3.28Å; L70-N78 HydrophobicContact CD1-CB 3.8Å; L70-N78 HydrophobicContact CG-CB 4.1Å
71Y79.4Confident86.8Confident135 Ų135117.2 Ų117.253%0.52960%0.599SS.*SBendtrans-121.8139.4176.5-54.7-65.3000110.5T73 D76 N78Y71-T73 PolarHBondContact O-N 3.34Å; Y71-D76 PolarHBondContact N-OD2 3.09Å; Y71-N78 WeakPolarHBondContact CD2-ND2 3.35Å; Y71-N78 VanDerWaalsContact CE2-ND2 3.3Å; Y71-N78 WeakPolarHBondContact CE2-ND2 3.49Å
72T76.8Confident86Confident152 Ų152119.7 Ų119.793%0.93361%0.609SS**SBendtrans-77.46.6176.358.90000113
73T75.5Confident85.1Confident84 Ų84114.6 Ų114.652%0.51560%0.597SS.*SBendtrans-89.6151.7-17657.30000110.9Y71 N75 D76Y71-T73 PolarHBondContact O-N 3.34Å; T73-N75 PolarHBondContact O-N 2.92Å; T73-D76 PolarHBondContact O-N 3.24Å
74Y77.8Confident84Confident231 Ų231119.1 Ų119.191%0.90662%0.617SS**THydrogen-bonded Turntrans-57.1-18.1176.7-172.7-98.3000114.2
75N79.9Confident83.1Confident124 Ų124119.8 Ų119.866%0.66361%0.608SS**THydrogen-bonded Turntrans-105.832.8-176-61.1-18000113.3T73 I77T73-N75 PolarHBondContact O-N 2.92Å; N75-I77 PolarHBondContact O-N 3.44Å; N75-I77 VanDerWaalsContact O-N 3.09Å
76D83.1Confident81.8Confident30 Ų30121 Ų12116%0.1662%0.623CS.*  trans-65.6108.1171.6-172.2-31.1000109.9L69 L70 Y71 T73 N78L69-D76 WeakPolarHBondContact CA-OD2 3.5Å; L69-D76 HydrophobicContact CD2-CB 4.21Å; L70-D76 PolarHBondContact N-OD2 3.42Å; Y71-D76 PolarHBondContact N-OD2 3.09Å; T73-D76 PolarHBondContact O-N 3.24Å; D76-N78 VanDerWaalsContact OD1-CB 3.28Å; D76-N78 WeakPolarHBondContact OD1-CB 3.3Å; D76-N78 VanDerWaalsContact OD1-CG 3.29Å; D76-N78 PolarHBondContact OD1-N 2.84Å; D76-N78 PolarHBondContact OD1-ND2 3.43Å; D76-N78 PolarHBondContact OD2-ND2 2.96Å
77I87.2Confident81.1Confident96 Ų96119.5 Ų119.549%0.49262%0.619SS.*  trans-107.216.517957.5164.4000112.7N75 H79 M80 H82N75-I77 PolarHBondContact O-N 3.44Å; N75-I77 VanDerWaalsContact O-N 3.09Å; I77-H79 VanDerWaalsContact C-N 3.25Å; I77-H79 PolarHBondContact O-N 3.37Å; I77-M80 HydrophobicContact CB-CB 4.4Å; I77-M80 HydrophobicContact CB-CG 4.14Å; I77-M80 VanDerWaalsContact O-CB 3.3Å; I77-M80 WeakPolarHBondContact O-CB 3.4Å; I77-M80 PolarHBondContact O-N 3.43Å; I77-H82 PolarHBondContact O-CE1 3.04Å
78N86.4Confident80.4Confident49 Ų49123.3 Ų123.326%0.26263%0.63SS.*THydrogen-bonded Turntrans-71.7-16.9-170.2-63.9-63.3000114.5L70 Y71 D76L70-N78 WeakPolarHBondContact CB-ND2 3.28Å; L70-N78 HydrophobicContact CD1-CB 3.8Å; L70-N78 HydrophobicContact CG-CB 4.1Å; Y71-N78 WeakPolarHBondContact CD2-ND2 3.35Å; Y71-N78 VanDerWaalsContact CE2-ND2 3.3Å; Y71-N78 WeakPolarHBondContact CE2-ND2 3.49Å; D76-N78 VanDerWaalsContact OD1-CB 3.28Å; D76-N78 WeakPolarHBondContact OD1-CB 3.3Å; D76-N78 VanDerWaalsContact OD1-CG 3.29Å; D76-N78 PolarHBondContact OD1-N 2.84Å; D76-N78 PolarHBondContact OD1-ND2 3.43Å; D76-N78 PolarHBondContact OD2-ND2 2.96Å
79H87.5Confident80.1Confident93 Ų93126.8 Ų126.843%0.43164%0.643SS.*THydrogen-bonded Turntrans-95.45.1172-56.595.5000112.6P67 S68 I77P67-H79 WeakPolarHBondContact CB-NE2 3.13Å; S68-H79 PolarHBondContact N-NE2 3.23Å; S68-H79 PolarHBondContact O-CE1 2.91Å; I77-H79 VanDerWaalsContact C-N 3.25Å; I77-H79 PolarHBondContact O-N 3.37Å
80M85.7Confident79.8Confident129 Ų129126.6 Ų126.664%0.63564%0.642SS**SBendtrans-94.9145.1175.6-52.3-61.2-99.400108.8I77 H82I77-M80 HydrophobicContact CB-CB 4.4Å; I77-M80 HydrophobicContact CB-CG 4.14Å; I77-M80 VanDerWaalsContact O-CB 3.3Å; I77-M80 WeakPolarHBondContact O-CB 3.4Å; I77-M80 PolarHBondContact O-N 3.43Å; M80-H82 PolarHBondContact O-N 2.97Å
81D85Confident79.8Confident169 Ų169128.8 Ų128.890%0.90465%0.653SS**  trans-63.3125.1172-69.9-29.9000109.5S83D81-S83 PolarHBondContact O-N 3.18Å
82H79Confident79.9Confident119 Ų119127.2 Ų127.255%0.55165%0.654SS**  trans-86.1110172.6-59.6-53.4000108.9I77 M80I77-H82 PolarHBondContact O-CE1 3.04Å; M80-H82 PolarHBondContact O-N 2.97Å
83S75.9Confident80.2Confident78 Ų78127.9 Ų127.955%0.54565%0.651SS.*  trans-80.8133.1164.560.10000109.2D81 E85D81-S83 PolarHBondContact O-N 3.18Å; S83-E85 PolarHBondContact O-N 3.24Å
84N72Confident80.7Confident166 Ų166131.7 Ų131.789%0.88866%0.661SS**  trans-80.62.2169.4-69.9-31.6000112L86N84-L86 PolarHBondContact O-N 3.02Å
85E76.2Confident81Confident160 Ų160128 Ų12875%0.74865%0.652SS**SBendtrans-76.6120.3180-65.6-173.417300109.5S83 I87S83-E85 PolarHBondContact O-N 3.24Å; E85-I87 PolarHBondContact O-N 3.29Å
86L69.2Low81.1Confident175 Ų175128.8 Ų128.892%0.91665%0.651SS**  trans-64.2101.9164.7-68.7171.9000107.5N84 H88N84-L86 PolarHBondContact O-N 3.02Å; L86-H88 PolarHBondContact O-N 2.67Å
87I77.2Confident81.2Confident126 Ų126132.7 Ų132.765%0.64667%0.667SS**  trans-67.5104172.2-57.4174.3000106.8E85 L89E85-I87 PolarHBondContact O-N 3.29Å; I87-L89 HydrophobicContact CG2-CD2 3.75Å; I87-L89 HydrophobicContact CG2-CG 4.33Å; I87-L89 PolarHBondContact O-N 3.43Å
88H77.3Confident80.9Confident153 Ų153134.1 Ų134.171%0.70867%0.672SS**  trans-73.998.5169.9-170.4-82.1000108.2L86 N90L86-H88 PolarHBondContact O-N 2.67Å; H88-N90 PolarHBondContact CE1-OD1 3.05Å; H88-N90 PolarHBondContact ND1-OD1 3.31Å; H88-N90 PolarHBondContact O-N 3.05Å; H88-N90 VanDerWaalsContact O-N 3.08Å
89L81.4Confident80.9Confident144 Ų144137.4 Ų137.475%0.75469%0.689SS**  trans-69.7104.7173.7-62.4175.4000108.3I87 I91I87-L89 HydrophobicContact CG2-CD2 3.75Å; I87-L89 HydrophobicContact CG2-CG 4.33Å; I87-L89 PolarHBondContact O-N 3.43Å; L89-I91 PolarHBondContact O-N 3.38Å
90N81.2Confident80.8Confident131 Ų131136.9 Ų136.970%0.70169%0.693SS**PPolyproline II helixtrans-76.8118.3168.7-70.6-28.1000108.3H88 N92H88-N90 PolarHBondContact CE1-OD1 3.05Å; H88-N90 PolarHBondContact ND1-OD1 3.31Å; H88-N90 PolarHBondContact O-N 3.05Å; H88-N90 VanDerWaalsContact O-N 3.08Å; N90-N92 PolarHBondContact O-N 3.01Å
91I81.3Confident80.8Confident161 Ų161136.3 Ų136.383%0.82669%0.687SS**PPolyproline II helixtrans-67.8119.8167-59.8174.5000106.3L89L89-I91 PolarHBondContact O-N 3.38Å
92N82.5Confident80.9Confident101 Ų101133.8 Ų133.854%0.5467%0.673SS.*PPolyproline II helixtrans-72.7137.9175.7-164.62.1000108.9N90 K94N90-N92 PolarHBondContact O-N 3.01Å; N92-K94 PolarHBondContact ND2-O 3.41Å; N92-K94 PolarHBondContact O-N 3.02Å; N92-K94 VanDerWaalsContact O-N 3.09Å
93D83.5Confident81.2Confident166 Ų166137.4 Ų137.489%0.88869%0.69SS**SBendtrans-65.9-12.5179.6-64-34000112.8
94K84.4Confident81.5Confident165 Ų165144.3 Ų144.372%0.71771%0.711SS**SBendtrans-125.5129.8177.5-64.7-177.7-179.8-179.20110.3N92 Q96N92-K94 PolarHBondContact ND2-O 3.41Å; N92-K94 PolarHBondContact O-N 3.02Å; N92-K94 VanDerWaalsContact O-N 3.09Å; K94-Q96 PolarHBondContact O-N 3.32Å
95E84.3Confident82Confident153 Ų153143.3 Ų143.372%0.71570%0.702SS**  trans-69.993.1168.5-69.8-160.2-167.500110F97 E98E95-F97 PolarHBondContact O-N 2.99Å; E95-E98 HydrophobicContact CB-CB 4.03Å
96Q83.6Confident82.3Confident140 Ų140142.4 Ų142.465%0.65470%0.7SS**THydrogen-bonded Turntrans-62.9-24.4-178.2-178.9174.6-0.400113.1K94K94-Q96 PolarHBondContact O-N 3.32Å
97F85.2Confident83Confident112 Ų112140.6 Ų140.649%0.49169%0.688SS.*THydrogen-bonded Turntrans-118.117.4-171.2-54.9-71.7000113.1E95 N99 V100 F101E95-F97 PolarHBondContact O-N 2.99Å; F97-N99 VanDerWaalsContact C-N 3.28Å; F97-N99 PolarHBondContact O-N 3.2Å; F97-V100 HydrophobicContact CB-CB 4.04Å; F97-V100 HydrophobicContact CB-CG2 4.25Å; F97-V100 HydrophobicContact CD1-CB 4.28Å; F97-V100 HydrophobicContact CD1-CG1 4.35Å; F97-V100 HydrophobicContact CD1-CG2 4.06Å; F97-V100 PolarHBondContact O-N 3.01Å; F97-F101 HydrophobicContact CB-CD2 3.98Å; F97-F101 HydrophobicContact CB-CE2 3.58Å; F97-F101 HydrophobicContact CG-CE2 4.12Å
98E80.1Confident83.3Confident126 Ų126141.4 Ų141.459%0.58969%0.69SS**THydrogen-bonded Turntrans-46.4-50.7-175.2-172.9177.9-175.800111.9E95E95-E98 HydrophobicContact CB-CB 4.03Å
99N86.4Confident83.7Confident118 Ų118140.7 Ų140.763%0.63169%0.689SS**THydrogen-bonded Turntrans-97.74.5-178.8-48.6-59.4000113.9F97 D102F97-N99 VanDerWaalsContact C-N 3.28Å; F97-N99 PolarHBondContact O-N 3.2Å; N99-D102 WeakPolarHBondContact CA-OD2 3.36Å
100V85.3Confident83.9Confident82 Ų82140.5 Ų140.550%0.49769%0.685SS.*THydrogen-bonded Turntrans-80-24.9-175.2174.40000111.4F97F97-V100 HydrophobicContact CB-CB 4.04Å; F97-V100 HydrophobicContact CB-CG2 4.25Å; F97-V100 HydrophobicContact CD1-CB 4.28Å; F97-V100 HydrophobicContact CD1-CG1 4.35Å; F97-V100 HydrophobicContact CD1-CG2 4.06Å; F97-V100 PolarHBondContact O-N 3.01Å
101F85.4Confident84.1Confident117 Ų117141.1 Ų141.151%0.51368%0.684SS.*SBendtrans-109.410.6-176.7-59.7-72.2000113.5F97 E103 F104F97-F101 HydrophobicContact CB-CD2 3.98Å; F97-F101 HydrophobicContact CB-CE2 3.58Å; F97-F101 HydrophobicContact CG-CE2 4.12Å; F101-E103 PolarHBondContact O-N 3.34Å; F101-E103 VanDerWaalsContact O-N 3.11Å; F101-F104 HydrophobicContact CB-CB 4.39Å; F101-F104 HydrophobicContact CD1-CB 4.41Å; F101-F104 AromaticContact CD1-CD2 3.76Å; F101-F104 HydrophobicContact CD1-CD2 3.76Å; F101-F104 HydrophobicContact CD1-CE2 4.24Å; F101-F104 HydrophobicContact CD1-CG 4.17Å; F101-F104 PolarHBondContact O-N 3.18Å
102D86.6Confident84.3Confident116 Ų116139.6 Ų139.662%0.6267%0.673SS**THydrogen-bonded Turntrans-59.8-25-180-70.6-17.3000113.2N99N99-D102 WeakPolarHBondContact CA-OD2 3.36Å
103E85.7Confident84.4Confident195 Ų195142.8 Ų142.891%0.91168%0.684SS**THydrogen-bonded Turntrans-99.81.6178.6-61.5-172.8169.100114.1F101F101-E103 PolarHBondContact O-N 3.34Å; F101-E103 VanDerWaalsContact O-N 3.11Å
104F82.6Confident84.5Confident224 Ų224140.7 Ų140.798%0.98267%0.666SS**  trans-95.50177.2-84.6-88.1000111.9F101F101-F104 HydrophobicContact CB-CB 4.39Å; F101-F104 HydrophobicContact CD1-CB 4.41Å; F101-F104 AromaticContact CD1-CD2 3.76Å; F101-F104 HydrophobicContact CD1-CD2 3.76Å; F101-F104 HydrophobicContact CD1-CE2 4.24Å; F101-F104 HydrophobicContact CD1-CG 4.17Å; F101-F104 PolarHBondContact O-N 3.18Å

Retrieved 104 of 104 residues in 22.2 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).