Asymmetric Behavior of Thymidylate Synthase Dimer Subunits in Denaturating Solvent Observed with Molecular Dynamics

Figure 4

The evolution of the secondary structure of the AB dimer of thymidylate synthase in urea solution calculated using DSSP [38] algorithm for different intervals of the trajectory. Presented are helical areas (red) and strands (blue). Darker color represents secondary structure element present in at least 75% of frames in the interval; lighter color represents element present in 25–75% of frames. Residues are numbered according to the protein sequence, with certain residues not present in the PDB structure (i.e., amino acids 1–20 and 302–307).