Results for job id P00029
Job information:
Job id: P00029
Job name: fxr-lig68
Job starting time: 2017-12-20/10:24:40
Job ending time: 2017-12-20/10:59:44
ligand MOL2: lig.mol2
Protein UniProt AC/ID: NR1H4_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.
|
|
|||||
| Models | Active | View | PDB | SHAFTS | ITScore |
| Model 1 | 5q1cA | 1.3 | -83.4 | ||
| Model 2 | 5q19A | 1.2 | -47.2 | ||
| Model 3 | 3okhA | 1.3 | -44.8 | ||
| Model 4 | 3ommA | 1.3 | -41.2 | ||
| Model 5 | 5q1fA | 1.3 | -30.3 | ||
| Model 6 | 5q1fA | 1.2 | 12.3 | ||
| 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 5q1fA (SHAFTS score: 1.8) 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 | -69.4 | Download | ||
| Model 2 | -58.3 | Download | ||
| Model 3 | -53.3 | Download | ||
| Model 4 | -50.1 | Download | ||
| Model 5 | -49.8 | Download | ||
| Model 6 | -46.5 | Download | ||
| Model 7 | -46.3 | Download | ||
| Model 8 | -46.0 | Download | ||
| Model 9 | -43.4 | Download | ||
| Model 10 | -43.2 | Download |
Download
Click Here to download all the results.