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. 2019 Jun 28;116(29):14547–14556. doi: 10.1073/pnas.1902192116

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Copyright © 2019 the Author(s). Published by PNAS.

This open access article is distributed under Creative Commons Attribution-NonCommercial-NoDerivatives License 4.0 (CC BY-NC-ND).

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Fig. 5. — Dynamics of the extended water-mediated hydrogen bond network around the Schiff base and Glu-194^45.44. The retinal-binding pocket of JSiR1 indicates an extended Schiff base/counterion system. The Top Left graph depicts temporal evolution of distances between pairs of residues involving Glu-194^45.44. In our simulations, the interaction to Tyr-204^45.54 is mediated by a bridging water molecule. The Bottom Left graph depicts temporal evolution of distances between the Schiff base (SB) and nearby residues. In our simulations, all these interactions are mediated by water molecules.