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Protein aggregate associated lipid sorting.

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posted on 16.06.2016, 05:58 by Daniel A. Holdbrook, Roland G. Huber, Thomas J. Piggot, Peter J. Bond, Syma Khalid

(A) i) The direction correlation of lipid and protein displacements as a function of distance from the proteins after 0.2 ns or 2.0 ns time jumps. The data have been averaged for all proteins and over the full length of the trajectories. The correlations are shown separately for DLPC and DSPC lipids; ii) The direction correlation of phospholipids (DLPC and DSPC) and OmpF displacements for time jumps of 20 ns or 200 ns are shown as a function of the phospholipid distance from the surface of the protein. The correlation was calculated as an average over all lipids and protein movements over the course of the trajectories. Fewer data points exist for longer time jumps, leading to incomplete convergence of the correlation measure. (B) Schematic description of the calculation of the direction correlation. The direction correlation is related to the angle between the axes of rotation of two lipids, red (n1) and blue (n2), traveling on great circles, (i). In the opposite direction of travel (ii), the axis of rotation is negative, (-n1). The dot product of the two axes of rotation vectors yields cos(θ), the measure of direction correlation (see Methods section for full details of the calculation).