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. 2024 Oct 22;128(43):10636–10649. doi: 10.1021/acs.jpcb.4c05701

Figure 5.

Figure 5

Unacetylated and acetylated H4 tail ensembles are primarily disordered. (A) Average secondary structure fractions predicted by Δ2D based on unAc and 5Ac chemical shift information. (B) Mean fraction of total residues involved in the formation of various secondary structure elements calculated over three independent MD simulations for unAc, 3Ac, and 5Ac. Error bars denote standard error of the mean. (C) Secondary structure variation as a function of time in representative unAc (top) and 5Ac (bottom) simulations.