Modeling Conformational Ensembles of Slow Functional Motions in Pin1-WW
Figure 6
Betweeness centrality based backbone network for the simulation ensemble Extended 1.
Macrostate 16 remains as the kinetic hub and states 38 and 9 are also conserved as the states with larger populations. Edge weights are proportional to betweenness centrality and node size is proportional to population. A node colored blue is closer, in RMSD terms, to the Apo Pin1-WW conformation and a red node is closer to the Holo Pin-WW structure.