(A) Comparison of interdye distances, calculated for the ensemble of atomic PANS (curves) and obtained by FRET in Gansen et al. (28) (gray areas). Gray areas represent three subpopulations observed in the FRET experiment: Low FRET and DOnly (LF); Middle FRET (MF); and High FRET (HF) species (see Table 4). Calculated distributions are in the form of a stacked density plot, assuming equal contribution of the octasome, hexasome, and tetrasome. Median values are indicated by dashed lines. The three interdye distance values for the hexasome model shown in (B) are indicated by red dots. (B) Different positions of the dyes, contributing to distinct FRET subpopulations, are illustrated on the hexasome structure. Phosphorus atoms (to which the dyes are connected) are indicated by red markers with labels showing basepair positions relative to the dyad. Interdye distances (Å) are represented by line segments. Color scheme used for the histones: H2A, yellow; H2B, red; H3, blue; and H4, green. To see this figure in color, go online.