TABLE 2.
Best fit of the fyn-SH3 SAXS data to a UL + UY + UE (r12 repulsive, exponential attractive, exponential repulsive) potential
| Attractive
|
Repulsive
|
Net well depth ɛ (kT0) | ||||||
|---|---|---|---|---|---|---|---|---|
| Potential type | Rg (Å) | ɛ1 (kT0) | δ1 (Å) | ɛ2 (kT0) | δ2 (Å) | D0 (Å) | RMSE | |
| UL + UY + UE | 14.85 ± 0.2 | 11.2 ± 0.5 | 1.0 | 7.5 ± 0.2 | 2.0 | 42.0 ± 4.0 | 3.7 | 0.035 |
| Best fit | 1680 μM | 1020 μM | 690 μM | 470 μM | 190 μM | 60 μM | Weighted average |
| RMSE | 0.016 | 0.0074 | 0.010 | 0.034 | 0.028 | 0.060 | 0.035 |
Also shown in the table are the root mean-square errors (RMSE) for the best overall fit at individual concentrations. kT0 corresponds to 245 K.