Figure 1.

While the relative orientations of two Fabs and Fc domains cover a wide range of space, the distances between two Fabs have a Gaussian distribution narrower than that of Fab to Fc domain, suggesting that two Fabs may have correlated motions. a. Conformational ensemble obtained from the simulation covers a wide range of continuous space. The conformers from 12 independent runs are superimposed on the Fc domain and labeled in different colors. b. The distribution of center of mass distance (D_ab: distance between two Fabs; D_ac: distance between Fab and Fc domain), center of mass angle (α_abc), sub-domain angles (θ_ab: angle between two Fabs; θ_ac: angle between Fab and Fc domain), and sub-domain plane normal angles (φ_ab and φ_ac) of the unbound antibody.