Table 1.
CTPRan | ΔG0→jH2O (kcal mol−1)* | ΔGI-UH2O (kcal mol−1)† | ΔGI-NH2O (kcal mol−1)‡ | ΔGU-NH2O (kcal mol−1)§ | βT TS1 | βT Intermediate | βT TS2 |
---|---|---|---|---|---|---|---|
2 | 3.3 ± 0.9 | - | - | 2.8 ± 0.4 | 0.56 | - | - |
3 | 6.1 ± 1.2 | 4.0 ± 1.5 | 5.1 ± 1.5 | 9.1 ± 2.1 | 0.35 | 0.49 | 0.58 |
4 | 9.0 ± 1.5 | 3.8 ± 1.4 | 5.9 ± 1.7 | 9.8 ± 2.2 | 0.37 | 0.47 | 0.49 |
5 | 11.8 ± 1.9 | 4.2 ± 1.2 | 6.4 ± 2.4 | 10.6 ± 2.7 | 0.30 | 0.45 | 0.46 |
6 | 14.7 ± 2.2 | 4.3 ± 0.6 | 10.7 ± 2.5 | 15.0 ± 2.6 | 0.24 | 0.34 | 0.36 |
8 | 20.4 ± 2.8 | 4.0 ± 0.3 | 14.6 ± 2.6 | 18.6 ± 2.6 | 0.16 | 0.25 | 0.26 |
10 | 26.1 ± 3.5 | 4.3 ± 0.4 | 17.8 ± 3.7 | 22.2 ± 3.7 | 0.15 | 0.23 | 0.23 |
All errors from kinetic data are obtained from propagation of errors obtained from the fitting of the data (shown in Table S3).
*Values averaged from the Ising fit of all equilibrium data and using Eq. 5 (SI Appendix); errors obtained from the propagation of a standard deviation of 3 averaged data sets (shown in Table S2).
†Calculated from kinetic data using ΔGU-1H2O = −RTln(kIUH2O/kUIH2O).
‡Calculated from kinetic data using ΔGI-NH2O = − RTln(kNIH2O/kINH2O).
§Calculated from kinetic data using ΔGU-NH2O = − RTln(kIUH2OkNIH2O/kUIH2OkINH2O). βT values were obtained using Σxmx/Σimi, where Σxmx is the sum of kinetic m-values between the unfolded state and state X on the reaction coordinate, and Σimi is the sum of all kinetic m-values along the reaction coordinate.