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. 2016 Jul 2;16:9. doi: 10.1186/s12900-016-0061-9

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© The Author(s). 2016

Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

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Fig. 8 — Results of the fifth restrained rstr5 run. Here, the bond restraints narrowed the ligand-binding site region while ICL3 was completely packed. The initially packed/closed state of ICL3 was preserved throughout 500 ns long simulation. a The initial (red) and final (blue) snapshots of MD run, (b) ICL3’s center of mass (x and y only) color-coded by time step, where lines represent the G protein’s a helix x and y coordinates extracted from the active state’s crystal structure (PDB id: 3SN6)