Table 3.
Allosteric free energy (Δgregion) estimated in mutation events (accumulative or single mutations) using different conformations of the wild-type variants IgA1 and IgA2.
| Δgregion (kcal/mol) in the Event of Mutations | ||||||
|---|---|---|---|---|---|---|
| IgA1 (C266/H317) | IgA2 (C253/H304) | IgA1 (C266) | IgA2 (C253) | IgA1 (H317) | IgA2 (H304) | |
| Her2 site | 0.38 ± 0.32 | 0.12 ± 0.06 | 0.18 ± 0.16 | 0.06 ± 0.07 | 0.28 ± 0.23 | 0.09 ± 0.05 |
| Fab | 0.62 ± 0.54 | 0.31 ± 0.12 | 0.28 ± 0.26 | 0.23 ± 0.09 | 0.5 ± 0.36 | 0.13 ± 0.08 |
| Fc (CH2–CH3) | −0.52 ± 0.05 | −0.16 ± 0.27 | −0.4 ± 0.07 | −0.06 ± 0.29 | −0.25 ± 0.09 | −0.1 ± 0.03 |
| Hinge | 0.21 ± 0.2 | 0.08 ± 0.05 | 0.08 ± 0.09 | −0.003 ± 0.032 | 0.20 ± 0.17 | 0.07 ± 0.04 |