Figure 3. Inter-domain motion of hPDI in the simulations.

The time course of the distance between the geometrical centers of domains a and b (A), a and b' (B), a and a' (C), b and b' (D), b and a' (E), b' and a' (F); the angles among domains a, b and b' (G), b, b' and a' (H); and the dihedral angle between the four domains a, b, b' and a' (I) were traced for the four simulations as marked. These curves confirm the formation of the compact conformations of hPDI.