A Preformed Binding Interface in the Unbound Ensemble of an Intrinsically Disordered Protein: Evidence from Molecular Simulations
Figure 9
Comparison of simulation results with SAXS data.
Black dots are the experimental data from reference [46]. The solid red line shows the mean of results computed from twenty randomly chosen frames of the simulation using CRYSOL [62]; dashed red lines indicate the confidence interval for the mean. Since we are interested in relative rather than absolute intensities, an offset has been added to the calculated intensities, to best fit the experimental data.