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. 2020 Feb 14;10:2657. doi: 10.1038/s41598-020-59583-2

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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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(a) Carton representation of WT rhodopsin molecules showing the arrangement of the receptors in the H4/H5–H4/H5 homodimer orientation. Free energy surfaces calculated from the FCA of the MD trajectories of (b) rhodopsin M1 and (c) M2 forming the WT dark-state H4/H5–H4/H5 dimer. The FCA of (d) M1 and (e) M2 from the P23H dark-state H4/H5–H4/H5 dimer MD simulations. The C−α representations of rhodopsin displays the principal motion of the receptor within the minimum of the energy wells.