We fix residues that interact with other chains (either DNA/RNA or protein) to reduce the probability to harm function during the process.
Fixed residues are not allowed to mutate or change conformation.
Interacting chains information includes:
For all options mentioned above the identifier is a 1-letter code.
Enter identifiers with commas between them.
Use the specific residues to fix option.
Important note: during the stabilisation process, PROSS removes all atoms that do not belong to the chain of interest. So, if your protein is a dimer with chains A and B, and you submitted chain A, chain B will be removed and calculations will be done as if chain A is a monomer surrounded by solvent. PROSS might mutate amino acids in the interface and kill the interaction. To avoid that, specify chain B in Large ligands. When specifying large ligands, PROSS first locates amino acids interacting with these ligands and saves them. Only then the large ligands are removed and calculations proceed with the relevant residues fixed.