Fig. 5: Global conformational changes upon DNA binding.

a Jensen-Shannon Divergence (JSD) distributions comparing free AflR-DBD to AflR-DBD bound to the first CG site (site A) and second CG site (site B) of ver1, vbs, and norA promoters. JSD values are calculated for backbone distances (JSDBB-dist), backbone torsion angles (JSDBB-tor), and sidechain torsion angles (JSDSC-tor). b Two-dimensional density plots of JSD for backbone distances compares free and DNA-bound states at site A and site B across promoters. Color intensity indicates the degree of conformational change, with reddish colors representing larger differences.