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. Author manuscript; available in PMC: 2014 Dec 19.
Published in final edited form as: J Phys Chem A. 2013 Dec 5;117(50):13926–13934. doi: 10.1021/jp410051w

Figure 5.

Figure 5

(A) The derived solvation energies and (B) the corresponding relaxation times for the three mutants of Dpo4 in three different states of apo (gray), binary (green) and ternary (red). Y312W is a control and not directly involved in the interactions with DNA and thus shows no obvious changes in three different states for three energies and three time scales. S244W, located at and interacting with the major groove of DNA but far from the active site, shows changes from the apo state to the complex states both in energy and in time. Y12W, around the active site and directly probing the binding of DNA and an incoming nucleotide, shows gradual changes in energy and time from the apo state to the binary complex and then to the ternary state. See text.