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. 2021 May 12;121(10):5633–5670. doi: 10.1021/acs.chemrev.0c00901

Table 1. Relative Energies, Boltzmann Factor, and Equilibrium Mole Fraction of All Structurally Distinct Conformations of Folate.

conformation no. relative energy (kcal) Boltzmann factor equilibrium mole fraction
1 0.36 0.55 0.17
2 2.94 0.01 0.00
3 2.34 0.02 0.01
4 2.93 0.01 0.00
5 3.42 0.00 0.00
6 1.65 0.06 0.02
7 2.52 0.01 0.00
8 2.71 0.01 0.00
9 3.09 0.01 0.00
10 6.83 0.00 0.00
11 0.39 0.51 0.16
12 2.91 0.01 0.00
13 1.20 0.13 0.04
14 4.17 0.00 0.00
15 0.46 0.46 0.15
16 2.19 0.02 0.01
17 7.47 0.00 0.00
18 3.82 0.00 0.00
19 1.20 0.13 0.04
20 1.77 0.05 0.02
21 4.44 0.00 0.00
22 6.18 0.00 0.00
23 2.68 0.01 0.00
24 0.00 1.00 0.32
25 3.58 0.00 0.00
26 1.18 0.14 0.04