Figure 7.

Structural models for HC Asn57. The conformation of HC Asn57 from original crystal structure model (PDB: 4G3Y) is not energetically favorable. A) Structure overlays of CDR-H2 loops between the original crystal structure model and refined model. The electron density map (2Fo-Fc) was shown as grey mesh at a contour level of 1σ. B) Upper panel, overlays of instantaneous structures of CDR-H2 loops at 5 ns from molecular dynamic trajectories obtained. (Left) original model (Right) refined model. Lower panel, psi angels for Asn57 during the MD simulations for both original and refined structure models.