TABLE 3.

Timescale (in nanoseconds) associated with transitions occurring around the dihedral angles and the different χ_n and χ_n′

Sugar			χ2	χ3	χ4	χ6	χ1′	χ2′	χ3′	χ4′	χ6′
K	0.82	0.83	0.04	0.03	0.08	0.04	0.86	—	0.04	0.11	0.03
S	0.88	0.70	0.04	0.03	0.08	0.04	2.94	—	0.04	0.09	0.03
N	0.89	0.89	0.03	0.03	0.08	0.03	0.82	0.03	—	0.16	0.03
L	0.83	0.64	0.04	0.03	0.09	0.04	0.68	0.03	—	0.25	0.03
M	1.14	0.68	0.03	0.03	0.08	0.04	1.22	0.03	0.04	—	0.04
C	1.43	0.53	0.04	0.03	0.09	0.04	1.22	0.03	0.17	—	0.04
I	1.35	0.86	0.03	0.03	0.09	0.03	0.88	0.03	0.03	0.11	—
G	1.00	0.61	0.04	0.03	0.10	0.03	0.55	0.02	0.03	0.09	—

Note that = O₅-C₅-C₆-O₆ and = O₅′-C₅′-C₆′-O₆′, with O₆′ = O₁ for a (1→6)-linkage (I, G); χ_n = C_n−1-C_n-O_n-HO_n (n = 2,3,4,6; nonreducing residue) and χ_n′ = C_n−1′-C_n′-O_n′-HO_n′ (n = 1,2,3,4,6; reducing residue). The timescales represent the average time spent in the different dihedral-angle wells centered at staggered conformations (intervals [−120°; 0°], [0°; 120°], and [120°; −120°]). Changes of well occurring for <5 ps (allowed excursion time) are not counted as transitions. The codes used for the disaccharides refer to Fig. 1.