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2D histograms from MD simulations for the ligand-protein distances for (left) Src SH2-pYEEI, (center) Src SH2-cpYEEI, (right) Src SH2-fpYEEI. The distance between the amide hydrogen atom of ligand residue Y+1 E and the carbonyl oxygen of H201 (HisβD4) is plotted along the y-axis. The distance between the main-chain amide proton of E178 (GluBC1) and the nearest phosphate oxygen atom is plotted along the x-axis.
