Fig 6. Percentage difference in residue RMSF values.

Percentage difference in residue RMSF values between (A) tetrameric MtuDAH7PS_WT and dimeric variant MtuDAH7PS_G232P and (B) tetrameric MtuDAH7PS_WT and theoretical dimer MtuDAH7PS_wt^dimer. The dashed line indicates the position of the substitution G232P along the amino acid sequence of MtuDAH7PS. Residue RMSF values were measured in reference to the corresponding MD average conformation using trajectories obtained from equilibrated time period in the MD simulation for each system (50–464.1 ns, 70–429.9 ns and 120–540.9 ns for MtuDAH7PS_G232P, MtuDAH7PS_WT and theoretical dimer MtuDAH7PS_wt^dimer, respectively). Chain-average RMSF values were calculated and compared. Percentage difference is calculated by (RMSF_dimer − RMSF_tetramer) ÷ RMSF_tetramer × 100.