Fig. 3. A snapshot of 3CLpro dimer in MD simulations in the presence of Bi(iii) and Na(i). The C-terminal helical segment was colored in yellow cartoon and Bi(iii) ion was shown in red sphere. (A) Both the hydrogen bonds between R298-M6 and R4-E290* are disrupted in the presence of Bi(iii). (B) The hydrogen bonds between R298-M6 and R4-E290* are well maintained in the presence of Na(i). The distances between two residues are labeled in Å.
