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. 2014 Jan 24;15(2):1767–1803. doi: 10.3390/ijms15021767

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© 2014 by the authors; licensee MDPI, Basel, Switzerland

This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/3.0/).

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Figure 6. — Head group torsions of DPPC in the membrane. Head group dihedral angles were defined as in Vanderkooi et al. [84], and as given in the legend to Figure 5. The starting value is defined by the initial conformation (dotted lines, “start”; compare Figure 2A). The percentage of occupation was calculated as function of torsion angle (in degree) after 10 (“N = 10”, dark grey line), 10,000 (“N = 10,000”, light grey line), 60,000 (“N = 60,000”, black line) MC steps, respectively. (A) shows the torsion around the bond connecting atoms 6 and 7 (α₁); (B) around the bond connecting atoms 8 and 9 (β₁) (C) around the bond connecting atoms 3 and 4 (α₄) and (D) is the torsion angle distribution around the bond connecting atoms 11 and 12 (β₄).