Figure 5: Simulations predict significant internucleosome interactions at physiological conditions.

(A) Illustration of the collective variable, θ defined as the angle between two nucleosomal planes, and r defined as the distance between the nucleosome geometric centers. ${\overrightarrow{w}}_1$ and ${\overrightarrow{w}}_2$ represent the axes perpendicular to the nucleosomal planes. (B) The 2D binding free energy profile as a function of θ and r at the physiological salt condition (150mM NaCl and 2mM MgCl₂) for nucleosomes with the 601 sequence. (C) Dependence of nucleosome binding free energy on nucleosome repeat length (NRL) and linker histone H1.0. (D) Representative structure showing linker histones (orange and green) mediating inter-nucleosomal contacts.