Table 1. Thermodynamic binding parameters determined by ITC competition.
| Fragment | ΔH (kJ/mol) | ΔS (kJ/ (mol x K) | ΔG (kJ/mol) | Kd (mM) | LE (kJ/(mol x #)) |
|---|---|---|---|---|---|
| 2 | No competition | ||||
| 3 | -467.2 | -1.61 | 12.8 | 5.8 ± 2.0 | 0.23 |
| 4 | 8.3 | -0.01 | 10.8 | 12.8 ± 2.7 | 0.21 |
| 5 | -5.4 | -0.07 | 16.0 | 1.6 ± 0.2 | 0.35 |
| 6 | -1593.9 | -5.40 | 16.1 | 1.5 ± 0.2 | 0.38 |
| 7 | 15.8 | 0.02 | 10.2 | 16.6 ± 10.4 | 0.15 |
| 8 | -292.7 | -1.02 | 12.7 | 5.9 ± 1.5 | 0.28 |
| 9 | -102.0 | -0.38 | 11.2 | 11.1 ± 5.0 | 0.24 |
| 10 | -260.8 | -0.91 | 11.6 | 9.3 ± 3.8 | 0.23 |
| 11 | -11.5 | -0.08 | 11.1 | 11.5 ± 8.4 | 0.18 |
| 12 | -64.4 | -0.25 | 11.0 | 11.8 ± 9.6 | 0.22 |
| 13 | No competition | ||||
| 14 | -47.0 | -0.19 | 9.0 | 26.2 ± 31.8 | 0.20 |
| 15 | -1753.2 | -5.93 | 14.5 | 2.8 ± 1.6 | 0.27 |
| 16 | -382.6 | -1.33 | 12.5 | 6.5 ± 4.7 | 0.30 |
| 17 | -1517.3 | -5.14 | 14.9 | 2.4 ± 0.7 | 0.32 |
| 18 | -194.3 | -0.67 | 10.3 | 15.9 ± 7.4 | 0.22 |
| 19 | -190.1 | -0.67 | 10.3 | 15.4 ± 10.2 | 0.22 |
| 20 | Compound precipitated | ||||
Changes in entropy (ΔS) and enthalpy (ΔH) as well as the binding constant (KD) were determined. LE was calculated as the coefficient of ΔG per number of non-hydrogen atoms (= #).