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. 2022 Apr 20;605(7908):172–178. doi: 10.1038/s41586-022-04637-w

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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. 5 — a, Centre, t-SNE structural clusters are coloured by water permittivity. Periphery, schematics and MD models of gate regions in structures representing different conductance levels, including closed (C) with all four M3 helices straight and four T617 obstructing the pore (i), O1 with a single M3 bent and two T617 obstructing the pore (ii), O1 with two M3 bent and two T617 obstructing the pore (iii), O2 with two M3 bent and no T617 obstructions (iv), O2 with four M3 bent and no T617 obstructions (v) and O3 with three M3 helices bent and no T617 obstructions (vi). b, Water permittivity, ion conductance (G) and PMFs for C, O1, O2 and O3 obtained from MD simulations of representative structures. Data are the mean ± s.d.