Isomer Δ G [ $^{1}$C$_{4}$ ] a Next b Δ G [Next] c TS d Δ G [TS] e P[ $^{4}$C$_{1}$ ] f P[ $^{1}$C$_{4}$ ] g P[Next] h β -d- Glc 27.1 ± 0.3 $^{3O}$B 30.9 ± 0.2 (1.17,3.19) 45.9 ± 0.5 99.99(1) 0.002(1) 4.17(4) × 10 − 4 β -d- Gal 19.3 ± 0.2 $^{3}$S$_{1}$ 35.6 ± 0.2 (1.17,3.51) 39.7 ± 0.2 99.95(1) 0.051(1) 8.8(1) × 10 − 5 β -d- Man 13.1 ± 0.4 $^{O}$S$_{2}$ 32.9 ± 0.4 (1.17,2.66) 42.7 ± 0.5 99.58(1) 0.42(1) 1.41(3) × 10 − 4 β -d- All 12.5 ± 0.2 $^{3O}$B 21.8 ± 0.2 (1.22,3.19) 36.8 ± 0.3 99.31(1) 0.68(1) 9.23(1) × 10 − 3 β -d- Tal 11.9 ± 0.3 B$_{3O}$ 43.2 ± 0.1 (1.11,3.40) 46.8 ± 0.2 99.53(1) 0.47(1) 3.0(1) × 10 − 6 β -d- Gul 13.3 ± 0.3 $^{O}$S$_{2}$ 31.5 ± 0.4 (1.17,3.19) 45.9 ± 0.5 99.00(2) 0.99(1) 3.4(1) × 10 − 4 β -d- Alt 6.1 ± 0.1 $^{O}$S$_{2}$ 24.7 ± 0.1 (1.17,3.72) 43.8 ± 0.2 93.88(4) 6.12(4) 2.4(1) × 10 − 3 β -d- Ido 4.1 ± 0.3 B$_{25}$ 27.4 ± 0.2 (1.06,5.85) 44.9 ± 0.2 88.51(9) 11.5(2) 8.6(1) × 10 − 4 α -d- Glc 16.2 ± 0.2 $^{1}$S$_{3}$ − $^{14}$B 35.1 ± 0.2 (1.22,2.66) 42.5 ± 0.2 99.88(1) 0.124(1) 8.6(1) × 10 − 5 α -d- Gal 14.5 ± 0.2 $^{1}$S$_{3}$ 44.7 ± 0.2 (1.22,3.19) 48.5 ± 0.4 99.58(1) 0.416(5) 4.0(1) × 10 − 6 α -d- Man 6.5 ± 0.2 $^{O}$S$_{2}$ 22.8 ± 0.1 (1.11,3.19) 32.3 ± 0.3 95.72(3) 4.27(5) 6.0(1) × 10 − 3 α -d- All 8.1 ± 0.2 B$_{3O}$ − $^{1}$S$_{3}$ 27.1 ± 0.2 (1.17,3.40) 38.9 ± 0.2 97.92(2) 2.08(3) 8.7(1) × 10 − 4 α -d- Tal 6.8 ± 0.1 $^{O}$S$_{2}$ 33.7 ± 0.2 (1.65,4.47) 52.5 ± 0.2 91.60(6) 8.40(6) 1.7(1) × 10 − 4 α -d- Gul 4.2 ± 0.2 $^{O}$S$_{2}$ 30.3 ± 0.2 (1.49,3.94) 49.2 ± 0.3 90.44(7) 9.6(1) 1.2(1) × 10 − 4 α -d- Alt 2.8 ± 0.3 B$_{3O}$ 15.0 ± 0.2 (1.06,3.72) 28.9 ± 0.2 79.2(1) 20.7(2) 8.74(1) × 10 − 2 α -d- Ido 1.1 ± 0.2 $^{O}$S$_{2}$ − $^{14}$B 20.6 ± 0.2 (1.11,5.53) 31.6 ± 0.2 51.8(3) 48.2(2) 1.38(1) × 10 − 2 Energies are expressed in kJ/mol, and probabilities in percent; a Free energy of $^{1}$C 4 ; b Next most populated conformer after $^{4}$C 1 and $^{1}$C 4 ; c Free energy of the next most populated conformer; d Location of the transition state ( θ , φ ); e Free energy of the transition state ; f Population of $^{4}$C 1 (%); g Population of $^{1}$C 4 (%); h Population of the next most populated conformer. When a basin is present, which encompasses many states, all conformers involved are listed. TABLE V: Free energy and population of different conformers using the new parameter set.