Table 1.
Results of dimerization interface analysis of zinc finger-associated domain dimers. Data averaged along the MD trajectory are shown. Detailed data are summarized in Supplementary Tables S5–S8.
| CG2712 homodimer* | Zw5 homodimer | CG2712 – Zw5 | CG2712- dv2712 | |
|---|---|---|---|---|
| Hydrogen bonds | S76-S76 | M16-T88 | ||
| S82-V16 | S86-T16 | S82-T16 | R85-V20 | |
| K80-S50 | S86-R15 | K80-T49 | K80-N53 | |
| H84-S50 | A59-L90 | S50-Q82 | ||
| Salt bridges | R91-E58** | R15-D87** | ||
| E78-K72** | D85-R19 | E58-R91 | E58-R93 | |
| D87-R15** | D57-R91 | R88-E54 | R91-E60 | |
| E53-R88 | E54-R91 | R91-E54 | E53-R95 | |
| Relative strength of hydrophobic interactions (%)* | 100 | 84 | 78 | 98 |
Residue numbering is in accordance to Figure 2A.
*Relative to a reference: CG2712 homodimer. Estimated by SMD simulations.
**This interaction is doubled in dimer due to symmetry.