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. 2018 Jul 11;8:10470. doi: 10.1038/s41598-018-28531-6

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© The Author(s) 2018

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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Row (1–3) Conformer plot of PCA data colored by cluster after calculation of cluster groups in binding protomer of AcrB-PAβN (left panels) and AcrB-TET (right panels); Row (4) The rank ordering of the eigenvalues of the covariance matrix. Eigenvalue spectrum: Results obtained from diagonalization of the atomic displacement correlation matrix of Cα atom coordinates from the first snapshot structures. Inset shows histograms for the projection of the distribution of structures onto the first six principal components.