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. 2019 Aug 5;9:11324. doi: 10.1038/s41598-019-47815-z

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© The Author(s) 2019

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as 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 images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Effect of calcium and sodium on the structure of FXIII-A. Upper parts of panels a and b represent the simulation snapshots of full length FXIII-A molecule and FXIII-A core domain post 100 ns of simulation in different sodium and calcium concentrations respectively as indicated. The simulation snapshot structures are depicted by their molecular surface view with the electrostatic potential (Red: Negative, Blue: Positive) superimposed on it. Below the simulation snapshots in both panels are the Residue interaction network (RIN) or the inter-residue interaction chart extracted from the Ring 2.0 server by submitting to it the post 100 ns simulation snapshot as a PDB file under default server conditions. Lowermost section of both panels is the Secondary structure profile for the entire 100 ns of simulation plotted for the entire length of the molecule. The colour code for the secondary structure profile is the following: Coil: Red, Strand: Green, Helix: Blue, Turn: Black.