Skip to main content
Advertisement

< Back to Article

Multi-Scaled Explorations of Binding-Induced Folding of Intrinsically Disordered Protein Inhibitor IA3 to its Target Enzyme

Figure 5

Kinetic pathways by full atomic model.

(A) The initial structures for the binding pathways calculated. Different initial unfolded structures of IA3 are represented by coils with different colors. The two loop regions of YPrA are indicated in red. The evolution of atomic contact number and helix formation along the folding pathway are shown for (B), (C) and (D). In these panels, the number of native contacts of IA3 is shown by the black line. The total interfacial contacts and the native interfacial contacts are shown in blue and green lines respectively. The red bars indicate IA3 helix formation, with the residue index on the right axis. For clarity, other secondary structural elements are not shown.

Figure 5

doi: https://doi.org/10.1371/journal.pcbi.1001118.g005