Table 2.

Summary of experimental NER efficiencies, ΔT_m and structural/energetic properties of the C8-dG-PhIP and cis-B[a]P-dG adducts in full (Full) and deletion (Del) duplexes^a

Lesion-containing duplex	Relative incision efficiency	ΔTm (°C)	Stacking interaction (kcal/mol)	Unpaired partner base	ΔIH (flanking base pairs)	Adduct topology
B[a]P Full	111 ± 4	−11.9	−25.5	Yes	784	Rigid, more aromatic rings
PhIP Full	100 ± 5	−10.6	−19.4	Yes	209	Mobile phenyl and methyl groups
PhIP Del	16 ± 5	2.7	−22.4	No	257	Mobile phenyl and methyl groups
B[a]P Del	0	18.9	−27.9	No	41	Rigid, more aromatic rings

^aThe relative incision efficiencies are the same as shown in Figure 4 at 30 min of incubation. ΔT_m values are the same as shown in Figure 2B. For each modified DNA duplex, ΔI_H is the trajectory summed I_H values of both G:C base pairs flanking the lesion minus the trajectory summed I_H values of the G16:C7 and G18:C5 base pairs in the unmodified duplex, and was obtained as described in the Supplementary Data. Stacking interaction energies are the mean values of the vdW interaction energies shown in Figure 7A.