Tutorial

ASMC aims at highlighting the amino acid diversity that composes the active site of a given homologous protein family. To achieve this, ASMC requires at least one reference protein structure – as we shall see later, more relevant groups are obtained by increasing the number of reference protein structures. Reference structures should be carefully selected under the biological context (open/close state, monomer, ligands, enzymatic results...) and priority should be given to high-resolution holo structures, namely protein-ligand complexes, since active sites are often better characterized.