Quantitative prediction of ensemble dynamics, shapes and contact propensities of intrinsically disordered proteins
Fig 6
Graph theoretical analysis of inter-residual interactions and transient interaction networks of p53TAD and Pup.
(A) Clusters consisting of 2 nodes (residues) dominate in the MD structures of p53TAD and Pup (without outlier trajectories), followed by clusters of size 3, etc. (B) The majority of the unique clusters are sparse graphs, with their number of edges much smaller than the number of edges in complete graphs growing with N(N-1)/2 where N is the number of nodes. The average edge-to-node ratio is 1.54 (slope indicated by solid black line), indicating predominantly tree-like graphs that sometimes have a few additional edges (cross-linked branches).