Table 1.
Net Interaction Energies between the H2A L1 Loops Show that macroH2A and H2A.Z Loops Have More Favorable Interactions than Canonical L1 Loops
| System | Uelect | UvdW | Utot | Uelect | UvdW | Utot |
|---|---|---|---|---|---|---|
| Canonical NCP | 6.3 ± 2.0 | −9.4 ± 0.8 | −3.1 ± 2.2 | − | − | − |
| L1-mutant | −0.9 ± 0.4 | −13.4 ± 0.8 | −14.3 ± 0.9 | −7.2 ± 2.0 | −4.0 ± 0.8 | −11.2 ± 2.4 |
| MacroH2A NCP | 0.4 ± 1.1 | −12.1 ± 0.9 | −11.7 ± 1.0 | −5.9 ± 2.3 | −2.7 ± 0.9 | −8.6 ± 2.3 |
| H2A.Z NCP | −0.6 ± 0.1 | −6.9 ± 0.6 | −7.5 ± 0.6 | −6.9 ± 2.0 | 2.4 ± 1.0 | −4.4 ± 2.3 |
U is defined as the difference in energies between each variant and the canonical system. Negative values show favorability in the variants. All values are reported in kcal/mol.