Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

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

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© 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/.

PMC Copyright notice

Results from MoaD and MoaE association simulations. (a) Superposition of the predicted active structure predicted by selecting the frame with the lowest sum of distances between evolutionary coupled residues with the crystal structure (PDB ID: 1FM0⁶¹). The backbone RMSD between the two structures was 6.4 Å. (b) The five most probable pathways between the state containing the initial separated structure and the state containing the near-crystal structure conformation determined using TPT in the MSMExplorer application⁶⁹. Randomly chosen structures from each state are displayed in the state boxes. (c) Randomly chosen structures from the ten states with the highest stationary probabilities calculated from the MSM transition matrix. The crystal structure is superimposed over each structure in a transparent representation for comparison.