Table 2.
Comparison of the experimental and calculated values for the heat capacity changes upon unfolding of ubiquitin variants
| Experimental | Calculated | ||||||
| ΔVa | ΔCp | ΔΔCp | ΔΔCp(MP)b | ΔΔCp(MF)c | ΔΔCp(SLR)d | ΔΔCp(MPS)e | |
| U6H63 | 2.8 ± 0.2 | — | |||||
| U6H63-Leu67Ala | −75 | 2.9 ± 0.2 | 0.1 | −0.15 | −0.13 | −0.09 | −0.08 |
| U6H63-Leu67Asn | −40 | 1.6 ± 0.1 | −1.2 | −0.26 | −0.25 | −0.16 | −0.13 |
| U6H63-Gln41Asn | −24 | 2.7 ± 0.3 | −0.1 | −0.11 | −0.11 | −0.07 | −0.06 |
| U6H63-Gln41Val | −11 | 3.6 ± 0.2 | 0.8 | 0.10 | 0.11 | 0.07 | 0.05 |
| U6H63-Gln41Leu | 15 | 3.7 ± 0.2 | 0.9 | 0.15 | 0.14 | 0.09 | 0.07 |
| U6H63/42 | 2.9 ± 0.3 | — | |||||
| U6H63/42-Val5Ala | −49 | 2.7 ± 0.3 | −0.2 | −0.11 | −0.09 | −0.07 | −0.06 |
| U6H63/42-Val17Ala | −49 | 2.7 ± 0.3 | 0.0 | −0.11 | −0.09 | −0.07 | −0.06 |
| U6H63/42-Val5Asn | −13 | 1.5 ± 0.1 | −1.4 | −0.22 | −0.21 | −0.14 | −0.11 |
| U6H63/42-Val17Asn | −13 | 1.8 ± 0.2 | −1.1 | −0.22 | −0.21 | −0.14 | −0.11 |
a Volume data from Tsai et al. (1999) and has units of Å3. b Calculated according to equation 1 (Makhatadze and Privalov 1995). c Calculated according to equation 2 (Murphy and Freire 1992). d Calculated according to equation 3 (Spolar et al. 1992). e Calculated according to equation 4 (Myers et al. 1995). All heat capacity data ΔCp are in kJ • mol−1 • K−1.