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. Author manuscript; available in PMC: 2021 Aug 7.
Published in final edited form as: ACS Catal. 2020 Jul 7;10(15):8476–8484. doi: 10.1021/acscatal.0c01618

Figure 6.

Figure 6.

New motion identified in Met182 by analysis of changes in the hydrogen bonding network in the direction of the new softened axis. Panel A is an example unrestrained TPS trajectory showing both chemistry and the motion of Met182. Panel B is the RMSD of the terminal carbon in Met182 for both a restrained trajectory and an unrestrained trajectory.