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. 2021 Dec 8;12:7131. doi: 10.1038/s41467-021-27449-4

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© The Author(s) 2021

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 Rotational dynamics of BAM in the membrane plane showing the subunit positions overlaid onto an extracellular view of the respective structures (top, inward-open; bottom, outward-open). b Rotation angle of the periplasmic domain ring in the membrane plane calculated using the average angle made by BamB (when present), BamC, BamD, and BamE with respect to BamA. The angle of these lipoproteins in the structure 5D0O is used as a reference and is measured counterclockwise as viewed from the extracellular space. The dotted lines are the rotation angles in the structures used to initialize the inward-open state (0°; PDB 5D0O) and the outward-open state (63°; PDB 5LJO). Plots are from three independent 6-μs simulations demonstrating a range of possible dynamics on this time scale.