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. Author manuscript; available in PMC: 2020 Aug 30.
Published in final edited form as: Genet Med. 2018 Jul 16;20(12):1652–1662. doi: 10.1038/s41436-018-0068-7

Fig. 3. Molecular dynamics simulations in MDH2 p.Ala256Thr and p.Val160Met variants of unknown significance (VUS) versus wild-type (WT).

Fig. 3

a Distance between the Cζ atom of F260 and the Cβ atom of A/T256 for both monomers of WT MDH2 (magenta, upper panels), Ala256Thr (blue, middle panels), and V160M (green, lower panels) during the simulations. A short distance corresponds to the F260 down conformation, and a long distance to the F260 up conformation (inset). b and c Distribution of the distance between the Cα atoms of K269 of the two monomers of the a Ala256Thr and b Val160Met variants from snapshots from the simulation trajectories, compared with WT