Principal component analysis (PCA) of the molecular dynamics (MD) trajectory of the wt A1-A2 and its mutants. (A) PCA of the MD trajectory of the wt A1-A2 and its 4 mutants (p.R1315C, p.R1315L, p.R1374C, p.R1374H). The principal components 1 and 2 have been used and the density of points has been reported as heat maps (see “Materials and methods” for further details). The most populated centroids have been explicitly indicated. (B) RMSDs between the backbone atoms of PCA-derived centroids. The darkest colors correspond to the highest RMSD values, lightest colors to the lowest RMSD values. The numbers in the box correspond to the values of RMSDs expressed in Å.