Table 8 Reference energies (kcal/mol) characterizing the unfolded state
| Â | initial | optimized | difference |
|---|---|---|---|
Ala | -10.009 | -11.307 | 1.30 |
Asp | -24.223 | -19.826 | -4.40 |
Asn | -20.783 | -17.180 | -3.60 |
Arg | -22.199 | -25.043 | 2.84 |
Glu | -24.365 | -21.257 | -3.11 |
Gln | -20.707 | -17.940 | -2.77 |
His | -21.928 | -20.389 | -1.54 |
Ile | -13.904 | -12.320 | -1.58 |
Leu | -13.941 | -12.600 | -1.34 |
Lys | -18.946 | -22.214 | 3.27 |
Met | -14.013 | -13.922 | -0.09 |
Phe | -21.741 | -17.412 | -4.33 |
Ser | -16.656 | -13.450 | -3.21 |
Tyr | -23.727 | -20.274 | -3.45 |
Thr | -16.252 | -12.583 | -3.67 |
Trp | -23.993 | -20.983 | -3.01 |
Val | -13.338 | -11.481 | -1.86 |