Rosetta:MSF: a modular framework for multi-state computational protein design
Fig 5
Recovery of design shell residues from BR_EnzBench by means of enzdes and MSF:GA:enzdes.
The distributions nssrSSD (aaj) (blue bars) and nssrMSD (aaj) (orange bars) represent for each amino acid aaj the nssr value (Eq 3) deduced from 13440 design sequences. These were created by enzdes or MSF:GA:enzdes for the benchmark proteins BR_EnzBench, respectively. nssr takes into account the recovery of all residues which are similar to the native aaj.