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. Author manuscript; available in PMC: 2012 Jun 15.
Published in final edited form as: J Am Chem Soc. 2011 May 24;133(23):8934–8941. doi: 10.1021/ja200173a

Figure 3.

Figure 3

Reaction coordinate changes and 1D free energy profile for the full catalytic reaction along the reaction coordinate Qep=ET+(PT1a+PT1b)/2+PT2 of the protonated Asp132 system. (Top) The solid lines show the bond forming distances, the dashed lines show the bond breaking distances, as described in the text. (Bottom) Free energy profile projected onto the Qep reaction coordinate.