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. 2022 Nov 12;13:6877. doi: 10.1038/s41467-022-34596-9

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© The Author(s) 2022

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. 2 — a and b 2D histograms of the z positions of lipid headgroups for outer and inner leaflets. Both leaflets are viewed from the extracellular side. Histograms are constructed from the last 5 μs of 20-μs trajectories. The cross-sectional areas of the prestin dimers in each leaflet are colored in red. c Range of z values of lipid headgroups in radial sections (drawn in the inset) around the protein, red for the outer and blue for the inner leaflet. The maximum elevation values are represented with solid and minimum values with dashed lines, whereas the range of observed z values is shown in light red and blue. The blue curves do not start from zero, since in the inner leaflet there are no lipids in that region. Source data are provided as a Source Data file. d Agreement between the lipid density in the cryo-EM map and the phospholipid distribution from the simulations, averaged over the last 5 μs of one of the trajectories. The cryo-EM density is represented as a red mesh. The coloring of headgroups is based on their z values, with highest and lowest z shown in yellow and blue, respectively. Elevated and depressed regions of the membrane form MD simulations overlap with corresponding areas in the cryo-EM map. For a rotating animation showing this comparison from different views, see Supplementary Movie 1.