Hi Modeller users,

I have an interesting case where I have two known structures of related proteins A and B.

A is in the inactive conformation while B is in the active conformation.

Is it possible to use modeller to predict the active conformation of A using structure B as the template?

Further, despite being in different conformations, only a handful of residues are important for this conformational change (the rest remain stable and are distal from the active site).

Is it possible to hold the correct parts of protein A in place and only perform modelling on residues within the active site (taken from protein B as template)?

Best,

Parker