Hi,

I am trying to compare multiple homologous structures of a protein, where I
am analysing the active site residues and the bound substrate/peptide. I
have used multiple methods for alignment in coot and pymol. Every
method gives a slightly different orientation in the active site. Based on
the analysis I am trying to propose a hypothesis for the catalytic
mechanism of the protein. But, I am a bit wary of getting biased with the
alignment if that supports my hypothesis.

What are the parameters that have to be considered for a reliable alignment?
What are the other Softwares available for alignment?



Thanks and regards
Ishan

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