Hello. I have an original pdb file of each of some enzyme proteins. I also have pdb files that I have built using homology modelling after making some mutations with the fasta sequrnces. I would like to check if the mutated enzymes still do their functions on their active sites using a computer program. Programs like TM-Score and etc show very similar scores even if there are a substancial amount of mutations. How should I do this efficiently and with a mininum amount of error? This is only for prediction before actually doing wet lab, but it should be efficient enough.
Thank you very much in advance.