Table 2.
Molecular docking scores obtained with different computational tools for selected peptides with canine MHC molecules.
| ID | Peptide | HPEPDOCK | MDOCKPEP | CABSDOCK | ||
|---|---|---|---|---|---|---|
| Cluster density | RMSD | Elements | ||||
| P1 | PCI-H1-004 | − 308.716 | − 184.3 | 75.4363 | 1.829 | 138 |
| P2 | PCI-H1-030 | − 221.010 | − 189.3 | 56.5631 | 2.333 | 132 |
| P3 | PCII-H1-008 | − 214.753 | − 167.3 | 86.7120 | 1.614 | 140 |
| P4 | PCI-F3-053 | − 224.458 | − 215.3 | 156.2350 | 0.294 | 46 |
| P5 | PCII-F3-012 | − 220.671 | − 189.3 | 105.4340 | 0.882 | 93 |
| P5.1 | PCI-F3-038* | − 252.723 | − 200.4 | 98.3842 | 1.128 | 111 |
| P6 | PCI-IEDB-H1 | − 249.353 | − 173.9 | 101.203 | 1.324 | 134 |
| P7 | LINB-IEDB-H** | NA | NA | NA | NA | NA |
| P8 | PCI-F3-054 | − 251.275 | − 173.2 | 54.0866 | 4.918 | 266 |
| P9 | PCII-IEDB-H2 | − 225.170 | − 218.0 | 96.4651 | 1.057 | 102 |
| P10 | PCI-IEDB-F1 | − 281.525 | − 162.1 | 46.7683 | 3.057 | 143 |
| P11 | PCII-IEDB-F2 | − 228.006 | − 186.2 | 54.9054 | 1.821 | 100 |
| P12 | LINB-IEDB-F** | NA | NA | NA | NA | NA |
*This peptide has the same sequence as P5; however, it was predicted to be present in both MHC class I and II.
**There is no docking score for linear B-cell epitopes interacting with MHC molecules.