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. 2015 Dec 10;11(12):e1004631. doi: 10.1371/journal.pcbi.1004631

Fig 6. Facing phosphate states pair correlations.

Fig 6

The facing phosphate states BI•BII|BII•BI and BII•BII have probabilities P i,j(BII•BI|BI•BII) (left panel) and P i,j(BII•BII), (right panel), respectively, extracted from P-MDs (blue) and C-MDs (red) for each complementary step in the dodecamers. P i,j(BII•BII) versus P i(BII) Pj(BII) is not reported for P-MDs because of the much reduced BII•BII populations in these simulations. These P i,j probabilities are compared to expressions containing the individual BII probabilities, P i(BII) and P j(BII), under the assumption that the conformational states of facing phosphate groups are independent of each other Eq 4 for P i,j(BII•BI|BI•BII) and Eq 3 for P i,j(BII•BII), see main text). The diagonal lines correspond to y = x.