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. 2017 Nov 28;7:16521. doi: 10.1038/s41598-017-16497-w

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© The Author(s) 2017

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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Close-up of the interactions formed during the MexA-dependent opening of the OprM periplasmic aperture. A series of interactions between the α-hairpins of OprM and MexA were formed during the simulation, which are highlighted here for a single OprM protomer (red ribbons). Within these interactions, we present the ones stabilized by specific hydrogen bonds. Thus, two hydrogen bonds are observed with MexA protomer 1 (purple ribbon), one hydrogen bond with MexA protomer 2 (yellow ribbons) and three hydrogen bonds with MexA protomer 3 (green ribbons). Water molecules were removed here for a clearer depiction.