Skip to main content
. 2021 Mar 2;10:e65587. doi: 10.7554/eLife.65587

Table 1. MM-GBSA calculations for DNA binding strength, both as raw values and normalized to the number of dimers in each system.

All values are given in kcal/mol, and results are intended to be interpreted comparatively, rather than as absolute values. When normalized according to dimer count, no significant differences are observed between the wild-type histone systems of varying sizes. The G17D mutation yields a slight reduction in average calculated binding strength, but this difference is not statistically significant (p-value of 0.157). Statistical significance was calculated via t-test, and quoted error values are the standard error of the mean calculated across the three independent trajectories.

System ΔGDNA ΔGDNA (per dimer)
Arc90 −459.4 ± 4.7 −153.1 ± 1.6
Arc120 −610.5 ± 5.3 −152.6 ± 1.3
Arc120-G17D −580.2 ± 15.5 −145.0 ± 6.7
Arc180 −906.0 ± 5.6 −151.0 ± 0.9