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. 2014 May 22;19(5):6609–6622. doi: 10.3390/molecules19056609

Figure 3.

Figure 3

Molecular dynamics trajectory plots correlating RMSD deviation from the initial 1-CTD protein Cα atoms (blue) and 1 heavy atoms (red) coordinates over a simulation time of 20 ns. (A) Trajectory plot output for binding site 1; (B) Trajectory plot output for binding site 2; (C) Trajectory plot output for binding site 3; and (D) Trajectory plot output for the clathrin-box binding site. Stable complexes are shown in A, B and D while C shows distortion of the complex structure just after 15 ns.