We have computed the Molecular Docking Modeling of these 2 proteins for you.
You can use this page:
- Download Top Model and / or Bio Model.
Top Model is the most probable docking pose of these 2 proteins from Molecular Mechanics point of view but we also suggest trying a Bio Model if available.
Both Top Model and Bio Model computed under usual constraints including a rigid protein to protein docking.
Structurally, the Bio Model is quite similar to the Top Model but may be more prone for signaling as the result of these proteins' interaction.
You can deploy either of the models for further Molecular Dynamics Computations.
- Use Contacts tables (at the next linked pages) for residues / atoms involved in structural contacts and probability of signaling.
Docked by MEGADOCK | |||||||
|---|---|---|---|---|---|---|---|
| Num | ID | Receptor click to download | Ligand click to download | Top position click to download | Best Bio position click to download | Top image Receptor: w Ligand: w BIO-score | Best Bio image Receptor: w Ligand: w RMSD to 'Top' / BIO-score |
| 1 | Q8NGZ6 - Q9HC97 | Q9HC97 | Q8NGZ6 | 1 | 1 | ![]() 464 / Contacts | ![]() 0.00 / 464 / Contacts |
- Click link in the Receptor column to download a pdb-file of protein
which was used at a receptor (frozen in space) role in this docking modeling.
- Click link in the Ligand column to download a pdb-file of protein
with ligand role in modeling.
- Click link in the Top position column to download the Top Model
pdb-file.
- Click link in the Best Bio position column to download the
Bio Model pdb-file.
- Below the image in the Top image column: Bio Score of the Top Model / URL
link to Contacts tables for Top Model.
- Below the image in the Best Bio image column: The RMSD of Bio Model relative
to the Top Model / Bio Score of the Bio Model / URL link to Contacts tables for
Bio Model.
Note: Bio Score is a count of contacts when both receptor and ligand atoms are either in Alpha Helix or Beta Sheets.
Higher Bio Score may lead to a greater probability of signaling.
Bio Model would be a complex with the highest Bio Score in a Top Mode vicinity (RMSD <1), if its Bio Score surpasses the
Top Model one. Otherwise, the Top Model is already a Bio Model.
Note: We recommend ChimeraX for pdb-files visualization.