Distribution of average hydrogen bond lengths throughout Monte Carlo simulations on Ubiquitin, Protein G and SMN Tudor Domain.

<p>Histograms are normalized (to an area of 1) to fit identical axes. Vertical lines indicate average values obtained from experimental X-ray structures (PDB-codes are noted in the figure legends). The blue histogram represents the simulation with only the molecular mechanics energy from the OPLS-AA/L force field with the GB/SA solvent model (but no chemical shift energy term). Green and yellow histograms indicate the use of OPLS force field plus an additional chemical shift energy term from ProCS or CamShift, respectively. *1OGW contains fluoro leucine at residues 50 and 67. **1IGD is a closely related homologue (see text).