Potential Role of the Last Half Repeat in TAL Effectors Revealed by a Molecular Simulation Study

Figure 2

Comparative MD analysis of the nonmodeled system (n_Complex: green; n_AvrBs3: yellow; n_DNA: orange) and the modeled system (m_Complex: purple; m_AvrBs3: blue; m_DNA: pink). (a) The RMSDs of the AvrBs3 backbone atoms versus simulation time. (b~d) The RMSD probability distribution of the AvrBs3-DNA complex (b), AvrBs3 (c), and DNA (d) calculated from the equilibrium trajectories. (e) The RMSFs of the Cα atoms of AvrBs3 calculated from the equilibrium trajectories. (f) The RMSFs of the P atoms in the sense strand (left) and the antisense strand (right) of DNA calculated from the equilibrium trajectories.

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