EDA was performed on the reactant, product and approximate TS given by QSM of both the systems to identify the effects of individual residues on the reaction path. A short 10-ns MD was run on all three structures, after obtaining the respective parameters using PyRED. After the MD, EDA was performed with the AMBER-EDA , and analyzed using R. The residues that are used as reference are all the atoms in QM region other than the coordinating waters.