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Conformational analysis of trisaccharide 1 in the free and bound states compared with respect to the conformer populations described by the ϕ torsion angle values, according to the literature58.
| Distance | Conformer | ||||
|---|---|---|---|---|---|
|
−g Φ = −60° Ψ = 0° |
+g Φ = 60° Ψ = 0° |
t Φ = 180° Ψ = 0° |
Exp Free State |
Exp. Bound State |
|
| H3 Gal-H3ax Sia | 4.19 | 3.11 | 2.18 | 2.74 | 2.35 |
| H3 Gal-H3eq Sia | 4.20 | 2.03 | 3.40 | 3.36 | 3.43 |
| H4 Gal-H3eq Sia | 4.15 | 2.25 | 5.15 | 4.24 | Not observed |
| H4 Gal-H3ax Sia | 5.04 | 2.13 | 4.45 | 3.94 | 4.31 |
