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Final structures of each of the Fv:GBSIII complexes from 1-ns MD simulations. (Upper) CPS aligned with the reducing terminus directed toward the VL domain (L → H threading). (Lower) Reversed (H → L) alignment. The solvent-accessible surfaces of the VL and VH domains are shown in light and dark blue, respectively; CPS is shown in purple with the neuraminic acid residues in orange. The CDRs are labeled and shown in red.
