Results for job id P00086
Job information:
Job id: P00086
Job name: dud_er_agonist
Job starting time: 2017-12-25/08:12:52
Job ending time: 2017-12-25/08:19:11
ligand MOL2: lig.mol2
Protein UniProt AC/ID: ESR1_HUMAN
Top (up to) 10 predicted binding modes using SHAFTS (template-based)
Click the "View" button on the right panel to display the corresponding binding mode.
Click "Model #" to download the corresponding PDB file.
|
|
|||||
| Models | Active | View | PDB | SHAFTS | ITScore |
| Model 1 | 1l2iA | 1.9 | -48.5 | ||
| Model 2 | 5dxpA | 1.3 | -42.3 | ||
| Model 3 | 5krfA | 1.3 | -35.2 | ||
| Model 4 | 5hyrA | 1.3 | -3.5 | ||
| Model 5 | N/A | N/A | N/A | ||
| 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 1l2iA (SHAFTS score: 1.9) was selected for docking.
Click the "View" button on the right panel to display the corresponding binding mode.
|
|
||||
| Models | Active | View | ITScore | Download |
| Model 1 | -55.6 | Download | ||
| Model 2 | -52.6 | Download | ||
| Model 3 | -42.8 | Download | ||
| Model 4 | -29.4 | Download | ||
| Model 5 | -22.5 | Download | ||
| Model 6 | -18.4 | Download | ||
| Model 7 | -18.4 | Download | ||
| Model 8 | -15.2 | Download | ||
| Model 9 | -13.2 | Download | ||
| Model 10 | -9.1 | Download |
Download
Click Here to download all the results.