Figure 4 | Scientific Reports

Figure 4

From: IgG1 and IgG4 antibodies sample initial structure dependent local conformational states and exhibit non-identical Fab dynamics

Figure 4

Projections of six independent trajectories (spawned from five different crystal structures + from the relaxed structure predicted by Alphafold), for (a) IgG1 and (b) IgG4, along their first two principal directions. Principal Component (PC) analysis was performed using the positions of all alpha carbon atoms over all trajectories. The conformational states accessed by each structure again displays minimal overlap in the PC space. The images below display the first principal direction for the 1HZH structure. The length of the arrows at each alpha carbon (shown as spheres) is directly proportional to the atom’s contributions to the principal motion. Our analysis shows that the first principal motion is more concentrated on the Fab1 domain, that shows zero non-covalent interactions with the Fc region.

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