Table 4. Comparison between q2 and Spress to the RMSD score and the resolution of structures.
q2 | Spress | |
RMSD | −0.607 | 0.604 |
RMSDMHC | −0.579 | 0.577 |
RMSDpeptide | 0.076 | −0.080 |
Average resolution | −0.103 | 0.105 |
Three RMSD scores were calculated based on the use of the structures. RMSDMHC is the RMSD for the structure of the MHC molecule alone, RMSDpeptide is the RMSD for the structure of peptide alone, and the RMSD for the whole structure.