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. Author manuscript; available in PMC: 2013 Jun 7.
Published in final edited form as: J Phys Chem B. 2012 May 23;116(22):6387–6396. doi: 10.1021/jp303303v

Figure 5.

Figure 5

Representative structures from simulations of Rp-R5a-dT8. A. t1 g+, t2 t, t3 +100°, dG6-pSdC7 BII (simulation #1, at 5 ns, see Fig. 4A-C). B. t1 g+, t2 t, t3 -100°, dG6-pSdC7 BII (#37, at 8 ns). C. t1 g-, t2 t, t3 +100°, dG6-pSdC7 BI (#1, at 2 ns, see Fig. 4A-C). D. t1 g-, t2 t, t3 +100°, dG6-pSdC7 BII (#27, at 3.8 ns, see Fig. 6). In each structure, the dT8 methyl group is colored green, the C atoms of the pyrroline ring are colored light blue, and the bromine atom is shown as a brown sphere. The backbone conformation for the dG6-pSdC7 dinucleotide (BI or BII) is shown in orange.