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. 2020 May 8;11:2296. doi: 10.1038/s41467-020-16094-y

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© The Author(s) 2020

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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Fig. 4 — a Configuration obtained from DTS simulation. Yellow beads are vertices occupied by STxB inclusion, Blue beads are vertices representing the membrane surface. b Configuration from the solvent-free CG Martini model, after a 200 ns simulation starting from the backmapped DTS structure. Yellow objects are STxB proteins, orange dots are ions, blue beads are phosphate groups of the DOPC lipids and lipid chains are shown in gray. c Final CG configuration obtained with standard Martini model after a 50 ns simulation. The color code is the same as b.