Table 6.
Post–MD simulation analyses of structural motions and stability for the T-cell epitopes and peptide-protein complexes.
| Molecular dynamic simulation analyses | |||
|---|---|---|---|
| EBV proteins | T-cell Epitope RMSD (Å) | T-cell Epitope-MHC complex |
|
| Cα- RMSD (Å) | Cα- RMSF (Å) | ||
| BMRF2 [FMSPFFIFL161-169] | 2.4 ± 0.4 | 4.2 ± 1.0 | 1.9 ± 0.8 |
| BDLF2 [KVYTLIPAV246-254] | 4.2 ± 1.0 | 6.8 ± 1.9 | 3.0 ± 1.2 |
| BORF1 [YLNKITTVV199-207] | 4.1 ± 1.0 | 4.1 ± 1.7 | 3.0 ± 1.3 |
| BcLF1 [FLQEAFPAL1327-1335] | 2.7 ± 0.5 | 6.4 ± 3.5 | 4.2 ± 1.8 |
| BDLF1 [VMMTYLQSL266-274] | 3.9 ± 0.6 | 5.5 ± 2.3 | 3.3 ± 2.0 |
| BFRF3 [SQFCYEEYV53-61] | 3.2 ± 0.3 | 4.3 ± 2.4 | 3.1 ± 1.1 |
| BXLF1 [RTLAYLQFV548-556] | 4.9 ± 1.0 | 2.8 ± 0.4 | 1.9 ± 0.6 |
| BGLF4 [FLQFAAPKV336-344] | 3.6 ± 1.5 | 9.0 ± 3.0 | 3.9 ± 1.7 |
| BMRF1 [ALMPYMPPA144-152] | 3.5 ± 0.5 | 5.6 ± 2.9 | 3.7 ± 1.4 |