Results for job id P00031
Job information:
Job id: P00031
Job name: erk2
Job starting time: 2017-12-20/11:05:54
Job ending time: 2017-12-20/11:11:39
ligand MOL2: lig.mol2
Protein UniProt AC/ID: P28482/MK01_HUMAN
Top (up to) 10 predicted binding modes using SHAFTS (ligand-based)
Click the "View" button on the right panel to display the corresponding binding mode.
Click "Model #" to download the corresponding PDB file.
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| Models | Active | View | PDB | SHAFTS | ITScore |
| Model 1 | 1pmeA | 1.7 | -42.4 | ||
| Model 2 | 1pmeA | 1.4 | -32.1 | ||
| Model 3 | 1pmeA | 1.6 | -29.6 | ||
| Model 4 | 4fv0A | 1.2 | -25.0 | ||
| Model 5 | 4fv0A | 1.2 | -8.3 | ||
| Model 6 | N/A | N/A | N/A | ||
| Model 7 | N/A | N/A | N/A | ||
| Model 8 | N/A | N/A | N/A | ||
| Model 9 | N/A | N/A | N/A | ||
| Model 10 | N/A | N/A | N/A |
Download
Click Here to download all the results.
Top 10 predicted binding modes (docking-based)
The PDB 1pmeA (SHAFTS score: 1.8) was selected for docking.
Click the "View" button on the right panel to display the corresponding binding mode.
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| Models | Active | View | ITScore | Download |
| Model 1 | -48.4 | Download | ||
| Model 2 | -47.0 | Download | ||
| Model 3 | -46.0 | Download | ||
| Model 4 | -41.1 | Download | ||
| Model 5 | -41.0 | Download | ||
| Model 6 | -40.3 | Download | ||
| Model 7 | -40.1 | Download | ||
| Model 8 | -40.0 | Download | ||
| Model 9 | -40.0 | Download | ||
| Model 10 | -39.8 | Download |
Download
Click Here to download all the results.