Are catalytic residues mutatable?
I was running the integration test of the enzyme design (main/tests/integration/tests/enzdes). According to the fifth constraint block in the cstfile at position Trp100 residues WFY with atom type aroC are allowed. However within 150 output structures I never observe a mutation away from the native Trp. In contrast, residue Ser98 is variable in the results (only has backbone constraints). Similarly, I never observe any mutation away from a native catalytic sidechain in my own project.
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