TABLE 3.
Direct hydrogen bonds between HPV-16 E2 and its DNA target
| Residue identity | Secondary structure location | Identity of most contacted bases | Protein subunit and % of residue occurrence | Hydrogen-bond number |
|---|---|---|---|---|
| Asn294 | α1-helix | A(−6) | A.69 - B.53 | 2 |
| A(−7) | ||||
| Lys297 | α1-helix | G(+4) | A.85 - B.86 | 2 |
| G(+5) | ||||
| Arg300 | α1-helix | C(+3) | A.85 - B.90 | 2 |
| G(+4) | ||||
| Arg302 | α1-helix | C(−8) | A.84 - B.87 | 2 |
| C(−9) | ||||
| A(−7) | ||||
| Lys304 | α1-helix | G(+5) | B.50 | 1 |
| Thr316 | β2-β3 loop | C(+3) | A.100 - B.97 | 2 |
| His318 | β2-β3 loop | T(+2) | A.83 | 1 |
Residues making a direct hydrogen bond in the MD simulation with an occurrence ≥50% of trajectory time.