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. 2018 Mar 23;8:5080. doi: 10.1038/s41598-018-22912-7

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© The Author(s) 2018

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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Comparative strength of hSERT dimer interfaces. (A) Simulation setup. The transporters transmembrane helices (TM) are shown in tan and pink tubes, but TM11 and TM12 are black and red, respectively, and the C-terminus helix in orange. (B) Potentials of mean forces (PMF) of the different hSERT interfaces formed in the self-assembly simulations. (C) PMFs of the TM3/4 interface variant: the original TM3/4 and a repeat (#2), in presence of 0.2 M of NaCl (+salt) and with the interaction of the ECL2 between the two monomers removed (wo ECL2).