Table 1. Average RMSDs Obtained from Simulations of Free Glycans as Well as Complex Simulationsa.
| complex |
free |
||||||
|---|---|---|---|---|---|---|---|
| cCT/H-tetra | ET CT/H-tetra | cCT/A-penta | ET CTB/A-penta | H-tetra | A-penta | ||
| aMD | aMD | ||||||
| chain | A | 0.9 (0.2) | 1.2 (0.2) | 1.1 (0.2) | 1.7 (0.3) | 3.3 (0.7) | 3.9 (0.7) |
| B | 0.9 (0.2) | 1.0 (0.2) | 1.5 (0.5) | 1.7 (0.4) | |||
| C | 0.9 (0.2) | 0.6 (0.1) | 1.5 (0.5) | 1.8 (0.5) | |||
| D | 0.9 (0.2) | 0.6 (0.2) | 1.1 (0.2) | 1.3 (0.5) | |||
| E | 0.8 (0.2) | 0.8 (0.2) | 1.2 (0.2) | 1.5 (0.3) | |||
| global | 0.9 (0.2) | 0.9 (0.2) | 1.3 (0.4) | 1.6 (0.4) | |||
a
All values are in Å. Standard deviations are provided in parentheses.