Table 6.
Residue descriptors for the Best QSAR Results based on full binding groove.
| Total + Electrostatic + VDW | GFA | Peptide Pos. | P1 | P3 | P7 | P9 | P9 | P2 | P9 | P1 | P2 | P5 | P5 | P5 | P6 | P6 | P7 | P9 | ||
| MHC Residue No. | 63 | 5 | 141 | 14 | 48 | 39 | 115 | 51 | 69 | 130 | 133 | 144 | 75 | 148 | 140 | 115 | ||||
| MHC Residue | Glu | Met | Gln | Arg | Arg | Asp | Gln | Trp | Ala | Leu | Trp | Lys | Val | Ala | Ala | Gln | ||||
| G/PLS | Peptide Pos. | P1 | P4 | P5 | P6 | P8 | P8 | P9 | P9 | P1 | P3 | P2 | P3 | P4 | P7 | P7 | ||||
| MHC Residue No. | 171 | 164 | 157 | 66 | 19 | 72 | 77 | 123 | 171 | 156 | 99 | 66 | 66 | 73 | 155 | |||||
| MHC Residue | Tyr | Cys | Arg | Lys | Glu | Gln | Asp | Tyr | Tyr | Leu | Tyr | Lys | Lys | Thr | Gln | |||||
| Electrostatic + VDW | GFA | Peptide Pos. | P1 | P5 | P7 | P8 | P8 | P9 | P9 | P9 | P2 | P2 | P2 | P4 | P4 | P5 | P7 | P9 | P9 | P9 |
| MHC Residue No. | 10 | 35 | 21 | 99 | 117 | 95 | 126 | 153 | 60 | 73 | 160 | 45 | 99 | 130 | 23 | 8 | 117 | 134 | ||
| MHC Residue | Thr | Arg | Arg | Tyr | Ala | Val | Leu | Ala | Trp | Thr | Leu | Met | Tyr | Leu | Ile | Phe | Ala | Thr | ||
| G/PLS | Peptide Pos. | P1 | P1 | P7 | P9 | P2 | P2 | P2 | P4 | P5 | P5 | P5 | P6 | P7 | P9 | |||||
| MHC Residue No. | 43 | 115 | 22 | 159 | 24 | 68 | 167 | 163 | 116 | 156 | 158 | 152 | 143 | 93 | ||||||
| MHC Residue | Gln | Gln | Phe | Tyr | Ala | Lys | Trp | Thr | Tyr | Leu | Ala | Val | Thr | His | ||||||
| Total | GFA | Peptide Pos. | P1 | P1 | P1 | P2 | P2 | P2 | P2 | P3 | P3 | P3 | P3 | P5 | P5 | P6 | P6 | P9 | P9 | |
| MHC Residue No. | 25 | 61 | 156 | 33 | 64 | 68 | 163 | 5 | 34 | 162 | 168 | 152 | 156 | 115 | 152 | 77 | 143 | |||
| MHC Residue | Val | Asp | Leu | Phe | Thr | Lys | Thr | Met | Val | Gly | Leu | Val | Leu | Gln | Val | Asp | Thr | |||
| G/PLS | Peptide Pos. | P1 | P2 | P2 | P2 | P3 | P3 | P3 | P5 | P6 | P7 | P9 | P9 | P9 | P9 | |||||
| MHC Residue No. | 25 | 33 | 62 | 119 | 5 | 74 | 98 | 156 | 152 | 143 | 14 | 74 | 77 | 83 | ||||||
| MHC Residue | Val | Phe | Gly | Asp | Met | His | Met | Leu | Val | Thr | Arg | His | Asp | Gly |