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. Author manuscript; available in PMC: 2014 Aug 15.
Published in final edited form as: J Phys Chem A. 2013 Mar 12;117(32):7107–7113. doi: 10.1021/jp400376h

Figure 5.

Figure 5

Dynamic distances during example reactive trajectories for the WT (A) and Heavy (B) systems. The distances between the particles and the particle acceptors are solid black for the hydride and solid red for the proton. The hydride donor–acceptor distance is shown as a dashed black line, while the proton donor–acceptor distance is represented by a red dashed line. The blue dashed line depicts the promoting vibration (the distance between the beta carbon of Val 31 and the hydride acceptor). In the WT system, the donor–acceptor distances and the promoting vibration distance reach a minimum at the same moment of the particle transfers, whereas these minimizations are less synchronized with the particle transfers in Heavy LDH.