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. 2017 Oct 5;7:12700. doi: 10.1038/s41598-017-12874-7

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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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Evolutionary couplings and system representation of the E. coli molybdopterin synthase subunits. (a) The crystal structure (PDB ID: 1FM0⁶¹) of MoaD (orange) and MoaE (blue) with the top five scoring evolutionarily coupled pairs displayed. (b) The coordinate system used for MSM analysis of MoaD-MoaE association, where a basis set was formed using the α-carbons of three MoaD residues and the dynamics of the system were described using the coordinates of the MoaE center of mass vector projected onto the MoaD basis.