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. Author manuscript; available in PMC: 2019 Jan 2.
Published in final edited form as: J Am Chem Soc. 2018 Aug 13;140(33):10464–10472. doi: 10.1021/jacs.8b04742

Figure 3.

Figure 3.

Analysis of 1-R-Criegee intermediate conformations though 500 ns MD simulations when bound in the (a) WT enzyme; and (b) LGY3-D-E1 variant. Black symbols denote selected snapshots used for further analysis in Figure 4.