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. 2021 Dec 24;13:100. doi: 10.1186/s13321-021-00578-0

Table 3.

Contribution of the conformers encountered during the stochastic search χst (in percentage) to the MS-HO partition function at T = 300 K

Amino acid χst (%)
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