Figure 7

(a) The figure shows the percentage (y-axis) of time each residue shown on x-axis was involved in contact with DH domain. The residues forming contacts with P-pant have been shown as green bars while those in contact with substrate have been shown as blue bars.(b) The figure depicts (blue colored line representation) conformations of P-pant and substrate extracted every 1 ns from the MD trajectory of duration 50 ns for DH domain. The residues which show contacts with the P-pant or substrate moiety for less than 40% of the simulation time have been shown as orange sticks.