Fig. 5

Molecular models of Pka and FXIa encounter complex to AAT M358R variants. Crystal structures of the catalytic domain of Pka (cyan, PDB 2ANY) or catalytic domain of FXIa (purple, PDB 1ZJD), and AAT M358R (original sequence in green; variants in orange, PDB 1OPH) were docked using ClusPro 2.0 as described in Methods. Yellow dashed lines indicate distance (Å) predicted between the alpha carbon of R358 in AAT M358R variants and the hydroxyl side chain of S195 in Pka/FXIa