Table 1.
Periphery | Core | Periphery | Core | |||||
---|---|---|---|---|---|---|---|---|
RNH3* | I25A RNH3 | F8A RNH3 | Q105G RNH3 | W85A RNH3 | F8A | W85A | ||
Δ G urea melt (kcal mol −1 ) | 13 | 8.2 (0.4) | 10.0 (0.2) | 10.6 (0.5) | 11.3 (0.5) | 6.5 (0.5) | 6.8 (0.5) | |
meq urea melt (kcal mol −1 M−1 ) | 2.1 | 2.2 (0.1) | 2.14 (0.03) | 2.11 (0.05) | 2.24 (0.1) | 1.9 (0.2) | 1.9 (0.1) | |
Δ G fixed m (kcal mol −1 ) | 7.86 (0.07) | 9.78 (0.07) | 10.5 (0.2) | 10.56 (0.06) | 7.05 (0.08) | 7.5 (0.1) | ||
Δ G kinetic (kcal mol −1 ) | 13.4 | 8.1 | 11.02 | 11.9 | 11.67 | 9.22 | 8.6 | |
m kinetic (kcal mol −1 M−1 ) | 2.25 | 2.13 | 2.35 | 2.43 | 2.37 | 2.7 | 2.48 | |
kin (H 2O) (s −1 ) | 1.89 | 0.37 | 0.55 | 0.59 | 0.48 | 0.227 | 0.1514 | |
min (kcal mol −1 M−1 ) | 0.28 | 0.49 | 0.50 | 0.15 | 0.19 | 0.647 | 0.415 | |
kni (H 2O) (s −1 ) | 1.5E-07 | 4.4E-05 | 2.6E-06 | 5.5E-08 | 1.6E-07 | 9.50E-05 | 2.50E-05 | |
mni (kcal mol −1 M−1 ) | −0.48 | −0.49 | −0.48 | −0.60 | −0.51 | −0.529 | −0.472 | |
Kui | 585 | 110 | 611 | 54 | 133 | 2580 | 350 | |
mui (kcal mol −1 M−1 ) | 1.50 | 1.15 | 1.37 | 1.68 | 1.66 | 1.505 | 1.596 | |
Δ Gui (kcal mol −1 ) | 3.76 | 2.77 | 3.79 | 2.35 | 2.89 | 4.64 | 3.46 | |
ϕ I | 1 | 0.19 | −0.01 | 0.56 | 0.36 | −0.42 | 0.04 | |
2 | 0.2 | 0.0 | 0.6 | 0.5 | −0.1 | 0.0 | ||
3 | 0.19 | −0.01 | 0.94 | 0.51 | −1.64 | 0.07 | ||
ϕ t.s. | 1 | 0.35 | 0.47 | 1.23 | 0.97 | 0.51 | 0.78 | |
2 | 0.3 | 0.4 | 1.2 | 1.0 | 0.4 | 0.5 | ||
3 | 0.37 | 0.29 | 1.39 | 0.96 | −0.93 | 0.62 | ||
β T | 1 | 0.77 | 0.77 | 0.77 | 0.71 | 0.76 | 0.75 | 0.78 |
2 | 0.8 | 0.8 | 0.8 | 0.7 | 0.8 | 0.7 | 0.8 | |
3 | 0.79 | 0.77 | 0.80 | 0.75 | 0.78 | 0.80 | 0.81 |
These values were previously determined by Raschke, Kho, and Marqusee.26
1. calculated using a fixed m-value of 2.1
2. calculated using the m-value from urea melts
3. calculated using the m-value from the kinetic data; mkinetic = mui + min − mni