Figure 6.

Average number of water molecules within 4 Å of the carboxylate group being cleaved (either pro-(R) or pro-(S), as relevant) during the last 25 ns of our 30 ns equilibration runs at the transition state for each reaction modeled in this work. Data is presented as average values and standard error of the mean over 30 individual trajectories per system, with data collected every 10 ps of simulation time. For the corresponding raw data associated with this figure, see Table S3.