Table 2.
R-squared values using change in ASA values
| Response variable | Tripeptide R^2 | ProtSA static | ProtSA | Upper creamer | Avg creamer | Lower creamer | Avg gong/rose | Lower gong/rose |
|---|---|---|---|---|---|---|---|---|
| Nres | .9945 | .9936 | .9932 | .9958 | .9945 | .9921 | .9934 | .9954 |
| ∆Cp | .7857 | .7801 | .7797 | .7815 | .78 | .7772 | .7777 | .7838 |
| ∆H(60) | .8034 | .7909 | .7951 | .7944 | .7943 | .7937 | .8087 | .7982 |
| ∆S(60) | .7707 | .7665 | .7663 | .7655 | .7661 | .7666 | .7776 | .7685 |
| ∆H* | .937 | .9263 | .9296 | .93 | .9292 | .9275 | .9365 | .9331 |
| ∆S* | .9344 | .928 | .929 | .9295 | .929 | .9278 | .9343 | .9321 |
R-squared values are from regressions using each unfolded surface area method to predict the six different response variables from Robertson and Murphy [11]: number of residues (Nres), heat capacity change upon unfolding (∆Cp), enthalpy of unfolding at 60 degrees C (∆H(60)) and at 100 degrees C (∆H*), and entropy of unfolding at 60 degrees C (ΔS(60)) and at 112 degrees C (∆S*). Values in bold are either improvements, ties, or in the closest three to the performance of the tripeptide method in terms of R-squared values. Tripeptide reference values are in italics.