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Coupling energies (kcal/mol) of six barstar (bs)-barnase (bn) residue pairs
| Calculated
|
|||
|---|---|---|---|
| Residue pair | Experimental | Electrostatic Poisson-Boltzmann | COMBINE analysis |
| D35A/bs-R59A/bn | 3.4 | 1.3 | −0.3 |
| D39A/bs-H102A/bn | 4.9 | 2.2 | −1.7 |
| D39A/bs-K27A/bn | 4.8 | 2.2 | −1.0 |
| D39A/bs-R87A/bn | 6.1 | 7.0 | 3.0 |
| D39A/bs-R83Q/bn | 6.7 | 10.0 | 2.4 |
| Y29A/bs-H102A/bn | 3.3 | −0.6 | −0.5 |
