Structural Properties of G,T-Parallel Duplexes

Figure 7

Representation of the geometry of d(A-T) pairs sampled during the MD simulation of ps-Duplex II. (a): Hoogsteen pair. (b): reverse-Watson-Crick. (c): superposition of both Hoogsteen and reverse-Watson Crick pairings. (d) detail of hydrogen bond distances in one of the pairs showing Hoogsteen→reverse Watson-Crick transitions. Color code: (i) Hoogsteen; Black: H6-O4; Red: N7-H3; Green: H8-O2; and (ii) reverse WC; Blue: H2-O4; Yellow: N1-H3; Light brown: H6-O2.

(a)

(b)

(c)

(d)