Modeling of the wild type (WT) and the mutant (Dβ484N) EcPA stability at pH 10.0.

Root mean square deviation (RMSD) for each enzyme variant has been averaged over three independent MD runs. The mean and standard deviation are shown in angstroms. Nres – number of amino acid residues in a structural unit. ΔRMSD = RMSDDβ484N – RMSDWT and f = f(RMSDDβ484N ≥ RMSDWT) were calculated as explained in Methods, section 2. Lower f values indicate a significant stabilizing effect of the mutation compared to the wild type enzyme while ΔRMSD estimates the degree of stabilization.