Finding Semirigid Domains in Biomolecules by Clustering Pair-Distance Variations
Figure 4
Standard deviation of pair distances (STDDV) in the second half of the trajectories of TCR/pMHC molecules B4402 (allogeneic) and B4403 (nonreactive). Values of STDDV [nm] have been normalized and are color coded (see bar on the left). Averaging over a row yields the mean distance variation against all other atoms (see subgraph on right). The dashed blue line shows the mean value of the row means, clearly indicating that the second half of the 250 ns trajectory of B4403 is more dynamic than B4402. Note that only atoms are considered.
