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. 2018 Nov 20;8:17111. doi: 10.1038/s41598-018-35383-7

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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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Principal component analysis (PCA) of trajectory of a 150 residue vasoinhibin (Vi). (a) Average backbone covariance matrix from PCA analysis of PRL and Vi. Highly correlated motions are in red and low correlation motions are in blue. Red intensity in the diagonal indicates the amplitude of fluctuations. (b) Bars show the first 15 eigenvectors of the covariance matrix of PRL and Vi (bars), whereas lines indicate the cumulative sum of the contribution to the total fluctuation percentage of the respective eigenvectors to each molecule. (c) The 2D eigenvector projections of the trajectory of PRL (black) and Vi (red). (d) Principal motion projected along the eigenvector 1 of PRL and Vi superimposed sequentially in 10 frames. Red and blue colours represent changes from minimum (0 ns) to maximum (20 ns) MD, respectively.