Selecting active residues for basic docking using HADDOCK2.4

Hello everyone, I am trying to perform protein-protein docking using HADDOCK2.4 but one of my proteins has more than 150 active residues (amino acids) and therefore isn’t being submitted. Please tell me what can I do to only select the most active residues for docking.
Thank you

Did you filter for solvent accessibility?

If you do have active on the other protein, you could consider defining the first protein only as passive (computationally less demanding).

Dear professor, thank you for your reply
I chose the default option for solvent accessibility. i.e., 15.0. Should I increase this value?
For context, my first protein is an artificial protein designed in silico with nearly 530/560 amino acids as active residues and my second protein is a toll-like receptor protein.
If I choose to define my first protein as passive, could that be considered as blind docking?

If you want to do blind docking don’t use the active residue definition!!!

Use rather center of mass restraints

Check our best practice guide, e.g.: How to use information about interactions in HADDOCK? – Bonvin Lab

Thank you for your input professor. I have applied for elevated access to change docking parameters. Please grant me access to perform blind docking.

Hello professor,
I recently requested permission to download and run haddock2.4 locally and want to perform blind docking. I have been following this tutorial but I’m confused with defining center of mass restraints. I am following the 3rd scenario of the “defining restraints for docking” section. I am not able to understand how they are defined as there is no mention of how to define them before making the antigen-antibody.tbl file.
Could you please tell me how can I define center of mass restraints locally?

Center of mass restraints can be turned on in the run.cns file by setting cmrest = true