Table 4.
rmin, rmax, and rswitch values for different classes of interaction site dimers.
| Charge states | Interaction site type | rmin (Å) | rmax (Å) | rswitch (Å) |
|---|---|---|---|---|
| charged/charged (opposite charges) | −1.8 | 5.0 | 1.5 | |
| charged/charged (like charges) | 0.0 | 5.0 | 2.5 | |
| charged/neutral | general/general | −1.0 | 5.0 | 1.5 |
| charged/neutral | HBD/HBA or LB/LA | −1.6 | 5.0 | 1.5 |
| neutral/neutral | general/general | −1.0 | 3.0 | 1.0 |
| neutral/neutral | HBD/HBA or LB/LA* | −1.3 | 3.0 | 1.0 |
*Includes cases where exactly one of the monomers is charged but the interaction site does not include the charged atom.