Table 3.
Ligands Receptor Interaction of the best L1 and L2 HPV 52 Epitopes
| Receptors | Ligands | Binding Affinity, ∆G (kcal/mol) | Amino acids involved and distance (Å) | ||
|---|---|---|---|---|---|
| Hydrogen-Binding Interaction | Hydrophobic Interaction | Electrostatic Interaction | |||
| 6JP3 | FVTVVDTTR | -17.63 | T73 (2.74), N66 (2.44; 2.90, 2.86), Y99 (3.03), Q156 (3.05; 2.79), R114 (3.38) | V76 (4.97), A150 (3.67), A152 (4.76), W147 (4.74) | Y159 (4.72), R163 93.46) |
| 6JP3 | GVFFGGLGI | -21.23 | T73(2.82), N66 (2.83; 3.15), R163 (2.67), Q156 (2.78), W147 (3.90), | K146 (5.01), V76 (4.81), A150 (4.66), Y99 (5.29), Y159 (4.99) | W147 (3.90), R114 (3.64), K146 (5.01) |
| 2WBJ | TTIADQLLKYGSLGV | -27.53 | Q7 (2.77; 2.77), D234 (3.63), W232 (2.82), Q246 (2.75; 3.09), D242 (2.74; 3.34) | A252 (5.39), I243 (4.73), Y236 (5.64), W237 (5.48), A66 (3.83), V63 (3.73; 4.83; 5.48), A59 (5.43) | D242 (5.59), W232 (4.82), R74 (4.45), D204 (5.11), E9 (5.39) |
| 2WBJ | GRKFLLQAGLQARPK | -25.51 | D242 (2.87), Q246 (2.92), W232 (2.78), E53(3.19), F52(4.05), Q7 (3.53) | A250 (4.68), I243 (5.45), W237 (3.81; 5.30; 5.24; 5.31), Y236 (4.90), I70 (4.48), A66 (3.72), V63 (5.16; 4.26) | F52 (4.05), Y254 (4.14), D233 (4.53) |