Energy of in silico flexible docking of wt PIF and mutant PIF models to crystallography derived model of PDI.

Score - Total Rosetta energy for this model,I score - Interface energy (The total energy of the complex less the energy of the partners when separated).pep score - The sum of energies contributed only by peptide residues.rmsBB - RMSD is calculated only for peptide backbone heavy atoms.rmsBB interface - RMSD is calculated only for heavy backbone atoms of peptides residues at the interface.