Hypothetical Deformation Toward DNA Structure in Complex

Above: Ensemble average Structures of TATA-variants over the 2.4 ns DNA/ion/water simulations and final structures from hypothetical trajectory to Dx using first 40 PCs RMS from Dx:1.5A (WT), 1.7A (T26), 2.3A (A29)

Movie: Hypothetical trajectory to Dx using first 40 PCs
(notice the different magnitudes in minor groove widening motion)

(For detailed information, see the article "Dynamic Simulations of 13 TATA Variants Refine Kinetic Hypotheses on Sequence/Activity Relationships", X. Qian, D. Strahs, and T. Schlick, J. Mol. biol., In Press 2001).