Fig. 3

a Distribution of the average RMSD for residues corresponding to active site for the different transitions subgroups AA (aqueous-aqueous environments in blue), AO (from aqueous to non-aqueous environments in green) and OO (from non-aqueous to non-aqueous environments in red). Mean RMSD per site averages estimated for residues in the active site were 0.68, 0.68 and 0.32 Å for AA, AO and OO, respectively (observed medians: 0.46, 0.41 and 0.20 Å, respectively). P-values for comparisons between OO and AO and OO and AA were << 0.001 while AO and AA distributions showed no significant differences. b Distribution of the average ASA differences for residues corresponding to active site for the different transition subgroups AA (aqueous-aqueous environments in blue), AO (from aqueous to non-aqueous environments in green) and OO (from non-aqueous to non-aqueous environments in red). Active sites ASA average differences were 0.044, 0.043 and 0.019 for AA, AO and OO, respectively (observed medians 0.028, 0.017 and 0.01, respectively). P-values for relative ASA differences comparisons were in all cases < 0.001