Inter-protein orientations and interaction energies along the simulation trajectories.

The inter-protein center of mass distances (in Å) at the start of the unbiased simulations is denoted as d0, at 10 ns is denoted as d10, and at 50 ns is denoted as d50. The relative orientations of the proteins are specified by the angle (in degrees) between the vectors joining the N- and C-terminii of each protein, at 10 ns (θ10) and at 50 ns (θ50). Eint denotes the total inter-protein interaction at 50 ns (in kcal mol−1).Inter-protein orientations and interaction energies along the simulation trajectories.