A Preformed Binding Interface in the Unbound Ensemble of an Intrinsically Disordered Protein: Evidence from Molecular Simulations
Figure 6
Probability distribution for of NCBD, computed with a G
model.
The top panel shows results for isolated NCBD, while the bottom panel shows results for NCBD in the presence of ACTR. Grey shadow: baseline model; blue lines: weakened intrahelical interactions in helices I and III; green lines: weakened intrahelical interactions in helix II; red lines: weakened interactions between helix II and the other helices.