Partition of N-Acetyl Amino Acid Amides Between Octanol and Water
| Amino Acid | V (cm3/mol) | A (Angstroms2) | transfer free energy (kcal/mol) | |
| uncorrected | size corrected | |||
| Ala | 231 | 347 | -2.08 | 2.03 |
| Arg | 318 | 468 | -3.88 | 1.78 |
| Asn | 264 | 379 | -3.29 | 1.40 |
| Asp | 261 | 378 | -3.55 | 1.09 |
| Cys | 258 | 360 | -0.40 | 4.19 |
| Gln | 297 | 408 | -2.80 | 2.48 |
| Glu | 290 | 405 | -3.37 | 1.78 |
| Gly | 198 | 323 | -2.50 | 1.01 |
| His | 297 | 432 | -2.32 | 2.95 |
| Ile | 332 | 402 | -0.04 | 5.87 |
| Leu | 341 | 399 | -0.18 | 5.89 |
| Lys | 329 | 445 | -3.85 | 2.01 |
| Met | 316 | 425 | -0.82 | 4.80 |
| Phe | 342 | 429 | -0.05 | 6.03 |
| Ser | 233 | 352 | -2.55 | 1.59 |
| Thr | 263 | 370 | -2.14 | 2.53 |
| Trp | 369 | 470 | 0.57 | 7.14 |
| Tyr | 342 | 447 | -1.19 | 4.90 |
| Val | 300 | 375 | -0.83 | 4.51 |
| Pro | 300 | 364 | -1.83 | 3.51 |
Accessible area (A), Molar Volume (V)
Comparison of Mutant Protein Unfolding Energies and Solvent Partition Energies
| Mutation |
changes in protein stability (kcal/mol) |
||
| MBM Lysozyme | KNF barnase | SSM staph. nuclease | |
| Ile to Val | 0.4 | 0.9-1.4 | . |
| Ile to Ala | 0.7 | 3.3-4.2 | 3.6 |
| Ile to Gly | . | . | 4.7 |
| Leu to Ala | . | . | 3.1 |
| Leu to Gly | . | . | 4.4 |
| Val ot Ala | 0.3 | 2.4-2.8 | 2.4 |
| Val to Gly | . | . | 4.3 |
| Met to Ala | . | . | 2.5 |
| Met to Gly | . | 3.4 | |
| Phe to Ala | . | . | 3.3 |
| Phe to Gly | . | . | 5.2 |
| Tyr to Ala | . | . | 2.7 |
| Tyr to Gly | . | 3.4 | |
|
Mutation |
solvent transfer free energy (kcal/mol) |
|||
|
uncorrected |
corrected |
|||
| o to w | c to w | o to w | c to w | |
| Ile to Val | 0.79 | 0.88 | 1.36 | 1.41 |
| Ile to Ala | 2.04 | 3.11 | 3.84 | 4.81 |
| Ile to Gly | 2.46 | 3.98 | 4.85 | 6.23 |
| Leu to Ala | 1.90 | 3.11 | 3.87 | 4.96 |
| Leu to Gly | 2.32 | 3.98 | 4.88 | 6.39 |
| Val ot Ala | 1.24 | 2.23 | 2.48 | 3.40 |
| Val to Gly | 1.67 | 3.10 | 3.49 | 4.82 |
| Met to Ala | 1.26 | 0.54 | 2.77 | 1.96 |
| Met to Gly | 1.68 | 1.41 | 3.78 | 3.39 |
| Phe to Ala | 2.02 | 1.17 | 4.00 | 3.03 |
| Phe to Gly | 2.45 | 2.04 | 5.02 | 4.46 |
| Tyr to Ala | 0.89 | -1.95 | 2.87 | -0.09 |
| Tyr to Gly | 1.31 | -1.08 | 3.88 | 1.34 |
octanol (O), water (W), cyclohexane (C)
Hoenig et al. Biochemistry, 30, No. 40 (1991)