Table 3 Contribution of the conformers encountered during the stochastic search \(\chi _{\mathrm{st}}\) (in percentage) to the MS-HO partition function at T = 300 K
Amino acid | \(\chi _{\mathrm{st}}\) (%) |
|---|---|
Asp | 0.3 |
Glu | 1.3 |
Ala | 0.0 |
Gly | 0.0 |
Ile | 3.0 |
Leu | 0.6 |
Pro | 0.2 |
Val | 3.0 |
Asn | 0.1 |
Gln | 1.7 |
Phe | 0.2 |
Trp | 9.4 |
Tyr | 0.2 |
Arg | 3.5 |
HisD | 0.0 |
HisE | 0.4 |
Lys | 1.7 |
Ser | 0.2 |
Thr | 0.0 |
Cys | 0.5 |
Met | 7.0 |