Dear Rosetta users,
I have a hetero-dimer that consists of a catalytic (1068 residues) and a regulatory subunit (724 residues) which is wrapped around it. The structure of the catalytic subunit has been solved, but only part of the regulatory exists. More specifically, the regulatory subunit consists of 5 domains (A,B,C,D,E), which are linked by loops of <=30 residues. Two adjacent domains, C and D, exist in the crystal structure in complex with the catalytic subunit, whereas the rest (A, B, E) have been solved sepparately (as intact proteins). Therefore I need to assemble the full-length regulatory subunit by comparative modeling, and predict the orientation of domains A, B, and E relative to the catalytic and regulatory subunit domains C and D (these 3 would be moved as a rigid body or sort of). Is it possible to do this with Rosetta? Any advice would be greatly appreciated.
thanks in advance.