Table 1.
NN | ΔGcoupling |
ΔGbind |
ΔHcoupling |
ΔHbind |
ΔCp,coupling |
ΔCp,bind |
Kd |
---|---|---|---|---|---|---|---|
kcal mol−1 | kcal mol−1 | kcal mol−1 K−1 | μM | ||||
0 | — | −7.70 ± 0.21a | — | −13.5 ± 1.4a | — | 0.10 ± 0.10a | 4.24 ± 0.12 |
1 | −1.04 ± 0.22a | −8.74 ± 0.21 | −6.11 ± 1.0a | −19.7 ± 1.2 | −0.49 ± 0.10a | −0.39 ± 0.10 | 0.80 ± 0.24 |
2 | −1.15 ± 0.22a | −8.85 ± 0.21 | −4.67 ± 1.4a | −18.2 ± 1.4 | −0.45 ± 0.11a | −0.39 ± 0.10 | 0.67 ± 0.18 |
Globally fit parameters are given at a reference temperature of 40°C (313.15 K). Confidence intervals were obtained via bootstrapping with 200 replicates. NN, number of occupied nearest neighbors. Unless otherwise indicated, terms were obtained from the sum of the reference state (e.g., ΔG0) and coupling terms (e.g., ΔGoe and ΔGoo). Equilibrium constants from ΔGbind = RT ln Kd at 40°C.
Fitted term.