Table 1.
Frequency cutoff | Hybrid H2A-H2B | Hybrid macroH2A-H2B | Inter- dimer | canonical dimer 1 | canonical dimer 2 | Inter- dimer | macroH2A dimer1 | macroH2A dimer2 | Inter- dimer |
---|---|---|---|---|---|---|---|---|---|
0.6 | 19 | 19 | 3 | 22 | 19 | 1 | 17 | 20 | 0 |
0.65 | 17 | 15 | 3 | 18 | 18 | 1 | 16 | 16 | 0 |
0.7 | 17 | 12 | 3 | 16 | 16 | 1 | 14 | 15 | 0 |
0.75 | 17 | 12 | 2 | 15 | 13 | 0 | 13 | 10 | 0 |
0.8 | 16 | 11 | 1 | 13 | 11 | 0 | 10 | 9 | 0 |
Observed between each (macro)H2A−H2B dimer and the core tetramer, as well as between dimer moieties, in each simulation using several frequency cutoffs and distance requirement of 3.5 Å between heavy atoms in each residue-pair contact. Canonical dimers in the hybrid simulations possess more contacts with the tetramer with increasing stringency of the frequency cutoff. To a slightly lesser extent, the same trend is seen between identically positioned moieties in the homogeneous systems. Contacts between the hybrid canonical dimer are also observed to be more robust than the identically placed dimer in the canonical simulations, and the macroH2A moiety displays the same effect. At every frequency cutoff, the hybrid system possesses the largest number of inter-dimer contacts.