Figure 5.

3D structures of RBDACE2 complexes are represented by the most populated cluster derived from MD simulations: ACE2 residues, which participate in interactions with RBD, are illustrated with wire representation and are colored from pink to dark red in order of increased number of interactions. RBD residues, which participate in interactions with ACE2, are illustrated by thin tube representation and are colored from light blue to dark blue in order of increased number of interactions. Mutated residues are illustrated with ball-and-stick representation.