Table 3.

Energy differences (kcal/mol) between on and off-dyad binding states as estimated by MM/GBSA analysis

Linker histone	Binding mode	ΔE total	ΔE internal	ΔE elec	ΔE VdW	ΔΔE total	ΔΔE internal	ΔΔE elec	ΔΔE VdW
genGH1	On-Dyad	−174.6 ± 37.0	−18.1 ± 32.5	−59.5 ± 27.2	−97.0 ± 23.9	−89.9 ± 39.0	−29.1 ± 33.3	−92.9 ± 29.4	32.1 ± 25.6
	Off-Dyad	−84.5 ± 39.9	11.0 ± 33.1	33.4 ± 28.3	−128.9 ± 23.6
GH1.0	On-Dyad	−221.6 ± 37.8	−13.4 ± 32.2	−61.9 ± 24.7	−146.4 ± 24.4	−163.3 ± 36.3	−3.3 ± 33.0	−69.0 ± 22.8	−91.0 ± 24.5
	Off-Dyad	−58.2 ± 36.5	−10.1 ± 33.1	7.1 ± 24.2	−55.3 ± 22.0

A negative value indicates more favorable binding in the on-dyad state.