Table 1.
Initial system composition for the Molecular Dynamics run, including hydrogen atoms.
| Type | Number of Residues | Number of Atoms |
|---|---|---|
| Protein | 755 | 12,435 |
| DNA | 13 | 414 |
| HNA | 11 | 378 |
| Mn2+ | 2 | 2 |
| Water | 31,407 | 94,221 |
| Na+ | 104 | 104 |
| Cl− | 85 | 85 |
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