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. 2015 Mar 24;1:85–96. doi: 10.1016/j.bbrep.2015.03.002

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© 2015 The Authors

This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

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Fig. 6 — The stability of the specific intermolecular interactions monitored between the K4 of the YSFKPMPLaR agonist with the F275^7.28 of C5aR, over 250 ns of MD at 300 K in POPC bilayer. The distance (a) and the interaction angle (b) monitored between the K4 head group and aromatic ring of F275^7.28 indicates a strong K4-F275^7.28 “cation–π” interaction. (c) The strong hydrogen bond interaction between the K4 head group and the backbone carbonyl of F275^7.28. (d) The distance between the heavy atoms participating in the hydrogen bonding.