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Table 2 Number of conformers required to achieve 90% of the MS-HO partition function, \(N_{90}\), at 300 K. The table also collects the highest relative electronic, \(E^{\mathrm{max}}\), and free, \(G^{\mathrm{max}}\), energies within the considered conformers. Finally, it also includes the maximum contribution of a single conformer (\(\chi _i^{\mathrm{max}}\)) to the partition function

From: TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids

Amino acid

\(N_{90}\)

\(E^{\mathrm{max}}\)

\(G^{\mathrm{max}}\)

\(\chi _i^{\mathrm{max}}\) (%)

Asp

16

2.782

3.220

17.4

Glu

66

3.312

4.601

16.9

Ala

6

1.388

1.361

57.8

Gly

5

1.086

1.138

57.3

Ile

23

2.106

3.131

33.1

Leu

19

1.931

3.298

52.4

Pro

4

1.313

0.676

45.1

Val

12

1.830

1.794

32.1

Asn

9

3.266

1.963

53.1

Gln

53

4.208

3.965

13.0

Phe

10

2.745

1.542

28.2

Trp

14

3.429

2.571

48.6

Tyr

16

2.980

1.809

18.5

Arg

80

4.333

5.653

47.3

HisD

4

2.213

1.875

78.9

HisE

5

2.491

2.261

70.6

Lys

667

5.490

5.232

1.7

Ser

12

2.627

2.118

29.6

Thr

11

3.036

2.303

38.7

Cys

16

3.597

2.708

31.1

Met

79

4.120

3.829

15.0