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. Author manuscript; available in PMC: 2013 Feb 21.
Published in final edited form as: Biochemistry. 2012 Feb 9;51(7):1486–1499. doi: 10.1021/bi201794x

Figure 5.

Figure 5

Destabilizing lesion-induced duplex distortions. (A) Ensemble average distortion energies. (B) Intercalation pockets with lesions replaced by hydrogen atoms. The counterpart central 3-mer in the unmodified duplex is also shown for comparison. The view is looking into the minor groove. Note the large values of Rise for the R-B[a]P-N 6-dA adduct, the ruptured hydrogen bonding for the S-B[a]P-N 6-dA adduct, and the severe unwinding established in the case of the S-DB[a,l]P-N 6-dA adduct. The color code is the same as in Figure 2.