Skip to main content
. 2017 May 15;12(5):e0177683. doi: 10.1371/journal.pone.0177683

Fig 4. RMSD profile for the ensemble of 100 trajectories started from X-ray structures (A) 1SGZ and (B) 2P4J.

Fig 4

The dark blue line reflects the average value of the RMSD (Å) determined for the C-alpha atoms of the whole protein for the ensemble of snapshots collected at a given time (ns) relative to the energy-minimized X-ray structures (the light blue line denotes the variance of the averaged RMSD). The green line reflects the RMSD (Å) determined for the C-alpha atoms of the average structure obtained from the snapshots sampled at a given time (ns) relative to the X-ray structure.