. Author manuscript; available in PMC: 2015 Dec 29.

Published in final edited form as: J Mol Biol. 2007 Sep 19;374(2):292–305. doi: 10.1016/j.jmb.2007.09.034

Table 2.

Disruption of Watson–Crick base pairs near the lesion site for the CG*C, CGC, TG*T, and TGT sequence contexts

Sequence context	Watson–Crick base pair	Hydrogen bond	% of population disrupted
TG*T	T5:A18	N6-H61···O4	~23
		N3-H3···N1	~1
	T7:A16	N6-H61···O4	~10
		N3-H3···N1	~1
TGT	T5:A18	All	<7
	T7:A16	All	<4
CG*C	C5:G18	All	<5
	C7:G16	All	<2
CGC	C5:G18	All	<4
	C7:G16	All	<3

Criteria for disruption of Watson–Crick base pairs: heavy atom–heavy atom distance >3.3 Å or donor-hydrogen-acceptor angle <140°. The percent of disrupted populations was computed from data in Fig. 6 and Fig. S3, Supplementary Data.