Analysis of the REJ Module of Polycystin-1 Using Molecular Modeling and Force-Spectroscopy Techniques

Figure 4

Constant velocity steered molecular dynamics simulations of the mechanical unfolding of REJ domains. Constant velocity steered molecular dynamics simulation of the mechanical unfolding of REJd1 (black), REJd2 (red), REJd3 (green), and REJd4 (blue). Force-extension curves were obtained from the SMD simulation of each REJ domain model by first fixing the C-terminal Cα atom and then applying a constant force to the N-terminal Cα atom along a predetermined vector. Forces (in pN) were recorded for each time step along the simulation. The shaded area corresponds to the initial burst of force that is typical of other FNIII domains.