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Dependence of reactant distances in the protein (distance from transferring methyl carbon of SAM to acceptor oxygen of catecholate) on QM region size. QM region sizes are reported in terms of the number of protein residues included in each QM region from reactants-only (0 residues, 64 atoms) to a 7 Å radius around the reactants (56 residues, 940 atoms). Inset shows the orientation of the methyl donor and acceptor.
