Extended Data Fig. 8: Detailed structural analysis of FNI9 and FNI17 mAbs binding to NA.
From: A pan-influenza antibody inhibiting neuraminidase via receptor mimicry
a, Static epitope analysis of FNI9:NA (left) and FNI17:NA (right) on N2 A/Tanzania/2010 depicted as a heatmap whose color scale is MOE kcal/mol energy; x-axis delineates epitope residues; and y-axis delineates paratope residues. FNI9 and FNI17 sequence differences are specified by grey dots along the y-axes and total binding energies are reported. b, Dynamic epitope analysis of FNI9:NA (left) and FNI17:NA (right) on N2 A/Tanzania/2010 depicted as in (a) using energies derived from 11.5 µs MD simulations. Red squares depict epitope-paratope residue contacts present in the FNI9:NA complex that are absent in the FNI17:NA complex. Dynamic total binding energies are reported. c, Percent occupancy of epitope-paratope interactions (within 5 Å) of FNI9:NA (left) and FNI17:NA (right) on N2 A/Tanzania/2010 in the 11.5 µs MD simulations. Percentage of total occupancy is reported. d, Comparison of FNI9 and FNI17 paratopes using dynamic analysis; FNI9 and FNI17 sequence differences are specified by grey dots along the x-axis. e, Comparison of FNI9 and FNI17 epitopes using dynamic analysis; NA residues depicted along the x-axis.
