Table 5.
Non-bonded interactions of the SATPdb10193, SATPdb21850, and SATPdb26811 peptides with the A36R protein of MPXV.
| Peptide name | Amino acid | Interaction category | Bond distance (Å) |
|---|---|---|---|
| SATPDb10193 | THR87 | Hydrogen bond | 2.71469 |
| ARG91 | Hydrogen bond | 2.24742 | |
| SER124 | Hydrogen bond | 2.79064 | |
| ARG88 | Hydrogen bond | 2.73909 | |
| TYR10 | Hydrogen bond | 3.57310 | |
| ARG88 | Hydrogen bond | 2.73909 | |
| Electrostatic bond | 3.10949 | ||
| ASP8 | Electrostatic bond | 3.49650 | |
| TYR54 | Hydrophobic bond | 4.98725 | |
| VAL92 | Hydrophobic bond | 4.60781 | |
| HIS89 | Hydrophobic bond | 5.49742 | |
| PHE94 | Hydrophobic bond | 5.35305 | |
| VAL92 | Hydrophobic bond | 5.36524 | |
| LYS119 | Hydrophobic bond | 5.33564 | |
| ILE121 | Hydrophobic bond | 5.32334 | |
| GLU4 | Unfavorable bond | 0.93776 | |
| ASP5 | Unfavorable bond | 0.93648 | |
| ASP8 | Unfavorable bond | 0.93699 | |
| PRO12 | Unfavorable bond | 0.93667 | |
| SATPdb21850 | ASP122 | Hydrogen bond | 2.55006 |
| SER124 | Hydrogen bond | 2.64414 | |
| GLY147 | Hydrogen bond | 2.74919 | |
| THR87 | Hydrogen bond | 2.44327 | |
| ASP120 | Hydrogen bond | 2.97542 | |
| ILE121 | Hydrogen bond | 2.69115 | |
| GLU4 | Electrostatic bond | 3.38873 | |
| ARG91 | Hydrophobic bond | 5.31355 | |
| PHE94 | Hydrophobic bond | 4.94915 | |
| TYR5 | Unfavorable bond | 0.93598 | |
| GLU4 | Unfavorable bond | 0.93633 | |
| ARG91 | Unfavorable bond | 4.48258 | |
| SER124 | Unfavorable bond | 1.84364 | |
| SATPdb26811 | THR87 | Hydrogen bond | 2.62530 |
| LYS125 | Hydrogen bond | 2.00428 | |
| ASP55 | Hydrogen bond | 2.52361 | |
| THR127 | Hydrogen bond | 2.80014 | |
| ASP122 | Hydrogen bond | 3.29745 | |
| ARG88 | Hydrogen bond | 2.66800 | |
| SER124 | Hydrogen bond | 3.07170 | |
| LYS125 | Hydrogen bond | 3.03728 | |
| ILE123 | Hydrogen bond | 3.74970 | |
| ARG91 | Hydrophobic bond | 4.29514 | |
| VAL92 | Hydrophobic bond | 5.08916 | |
| LEU90 | Hydrophobic bond | 4.57379 | |
| LEU126 | Hydrophobic bond | 5.11871 | |
| HIS89 | Hydrophobic bond | 4.69540 | |
| ILE121 | Hydrophobic bond | 4.74043 | |
| ARG88 | Unfavorable bond | 5.59912 | |
| LYS148 | Unfavorable bond | 5.10524 | |
| ASP55 | Unfavorable bond | 5.51186 | |
| ASP122 | Unfavorable bond | 5.15790 |
Abbreviation: MPXV, monkeypox virus.