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Figure 6 | BMC Structural Biology

Figure 6

From: The redundancy of NMR restraints can be used to accelerate the unfolding behavior of an SH3 domain during molecular dynamics simulations

Figure 6

Water bridges networks observed in simulations based on the sets (a-c) full or (e-g) reduced of NMR restraints. The edges materialize the water bridges, formed at least more than 40% of the simulation time for the sequences WT (a,e), L28A (b,f) and L18P (c,g). The vertex stand for the amino acids involved in these networks, the ones with a colored background being the hubs of a sub-network and the others only members. Thicker edges point out bridges formed more than 60% of the MD. (d) The central nph SH3 structure, in new cartoon, exhibits in cyan or in magenta licorice the hub residues involved in water bridges. The colors of the residues correspond to the background color of the vertexes in a-c and e-g.

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