Hydrogen bond occupancy.

<p>Hydrogen bond occupancy plots for each peptidomimetic are shown. In each sub-plot, the x-axis represents the serial numbers of the residues of the SH2 domain of STAT3 and the y-axis represents the hydrogen bond occupancy value for a given residue. Hydrogen bond occupancy is computed as the fraction of conformations out of 1000 conformations of a peptidomimetic in which the given residue participates in a hydrogen bond. The 1000 conformations of each peptidomimetic were derived from the corresponding 10 ns molecular dynamics trajectory. Note that a hydrogen bond is ignored if it is present in less than 500 conformations.