Fig. 5. Minimum free energy paths obtained with the string method for the phosphorylation character of both converged solutions. The paths are projected on the plane defined by the bond order between the transferred phosphate and the donor oxygen d(Pγ–O1(Sugar)) on the x-axis, and the bond order between the transferred phosphate and the acceptor oxygen d(Pγ–O3β(Nucleotide)) on the y-axis. The colouring scheme represents the free energy of both converged Paths in kcal mol–1.
