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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 |