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. 2011 Jun 22;100(12):2936–2945. doi: 10.1016/j.bpj.2011.05.012

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© 2011 by the Biophysical Society.

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Second-generation, free energy-constrained OAP model. (A) Free energy versus OAP size relation. Positive free energy (M23-M23 interactions/OAP) as a function of OAP size computed for indicated M23:M1. Empirically determined negative free energy (red), which constrains OAP size. (B) Gallery of OAPs generated by the model at indicated M23:M1 ratio. (C) Computed average OAP size (mean ± SD) as a function of M23:M1 ratio for the second-generation model (solid triangles), shown with experimental data (open circles and triangle). (D–F) Number histograms of the distribution of OAP size (D), shape (E), and boundary composition (F) at indicated M23:M1 ratios. OAP size quantified as number of tetramers; OAP shape as the ratio of monomers at the periphery to the square root of the total number of monomers (examples of OAPs with different shaped parameters shown in panel E, right); and content as the fraction M1 at the boundary to the fraction M1 throughout the OAP.