Structural analysis of antigenic variation and adaptive evolution of the H5N1 neuraminidase gene
Fig 8
Ensemble distributions of size (Rg) and solvent exposure (SASA).
This figure presents ensemble properties of variants analyzed from molecular dynamics trajectories. Left panels feature box plots, with the central line indicating the median, box edges representing the interquartile range (IQR), and red circles marking outliers. Right panels display KDEs for each metric, illustrating the full conformational range, statistical mean (vertical dashed lines), and distinct shapes of conformational ensembles. The Rg (A) and SASA (B) plots demonstrate statistically significant shifts in ensemble properties for all mutants compared to the WT, confirming altered conformational landscapes. The precise median values and the statistical significance (P-values) for all systems are quantified and presented (Table 4).