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. 2013 May 7;8(5):e62745. doi: 10.1371/journal.pone.0062745

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© 2013 Wang et al

This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.

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A, The torsion angle (C_α-C_β-C_γ-C_δ1 ) used for the analysis of F215 gating. B, The partially-stacked phenyl rings of F107 and F215 in the open (red) and closed (green) states (two snapshots are shown). C-J, The torsion angle C_α-C_β-C_γ-C_δ1 of F215 as a function of simulation time in the processes of substrate leaving the channel. Data were collected from trajectories of wild-type EcAmtB with methylamine (C) and ammonia (D), H168A/H318A AmtB with methylamine (E, G), ammonia (F, H), and H168A/H318A AmtB without substrate (I, J).