Figure 6.

Principal component analysis. Bidimensional projection of first three PCs identified by ED on the same subspace of φ and θ angles and schematic representation of the isolated motions of aglycosylated (A), G0 (B), and G0F (C) mAbs. Scatter plots show how the first three eigenvectors describe the exploration of φ and θ dimensions in all the systems, with a particular effect on θ in G0F antibody, which can explain the T-shaped conformation. In all mAbs, a rotational component is present, as shown by the exploration on φ; this exploration is less evident in the G0 antibody. The schematic representation of the modes shows that the aglycosylated and the G0 mAbs are characterized by a comparable behavior, with a rotational mode (eigenvectors 1 and 3) and hinge stretching (eigenvector 2), whereas G0F shows a different dynamics, including breathing motions that allow the approaching of Fabs to Fc (eigenvectors 1 and 2) and a rotational component (eigenvector 3) that affects all domains. To see this figure in color, go online.