Table 3. Glycan contacts for G2F and M3N2 at 300 K.
| Contact | Contact | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| H-Glycan | Position# | Chain | Residue | % Residence in G2F* | % Residence in M3N2* | K-Glycan | Position# | Chain | Residue | % Residence in G2F* | % Residence in M3N2* | |
| NAG-1 | 264 | H | Val | 100 | 14 | NAG-1 | 264 | K | Val | 99 | 96 | |
| 265 | H | Asp | 99 | 100 | 265 | K | Asp | 99 | 94 | |||
| 295 | H | Asn | 100 | 100 | 295 | K | Asn | 99 | 99 | |||
| FUC-2 | 296 | H | Y | 44 | - | FUC-2 | 295 | K | Asn | 29 | - | |
| - | K | NAG-9 | 93 | - | - | H | MAN-8 | 77 | - | |||
| NAG-3 | 241 | H | Phe | 96 | 50 | - | H | NAG-9 | 89 | - | ||
| 264 | H | Val | 99 | 63 | NAG-3 | 241 | K | Phe | 99 | 100 | ||
| 301 | H | Arg | 99 | 85 | 264 | K | Val | 99 | 65 | |||
| - | K | MAN-8 | 88 | 68 | 301 | K | Arg | 99 | 92 | |||
| MAN-4 | 241 | H | Phe | 94 | 80 | - | H | MAN-8 | 99 | 76 | ||
| 243 | H | Phe | 99 | 65 | MAN-4 | 241 | K | Arg | 99 | 97 | ||
| - | K | MAN-8 | 39 | 70 | 243 | K | Phe | 99 | 81 | |||
| MAN-5 | - | K | MAN-8 | 17 | 1 | - | H | MAN-8 | 93 | 50 | ||
| NAG-6 | 243 | H | Phe | 100 | - | MAN-5 | 243 | K | Phe | 99 | 77 | |
| 246 | H | Lys | 97 | - | NAG-6 | 243 | K | Phe | 100 | - | ||
| 260 | H | Thr | 97 | - | 246 | K | Lys | 98 | - | |||
| GAL-7 | 246 | H | Lys | 98 | - | 260 | K | Thr | 99 | - | ||
| 258 | H | Glu | 100 | - | GAL-7 | 246 | K | Lys | 99 | - | ||
| 260 | H | Thr | 100 | - | 258 | K | Glu | 100 | - | |||
| MAN-8 | - | K | FUC-2 | 77 | - | 260 | K | Thr | 100 | - | ||
| - | K | NAG-3 | 99 | 76 | MAN-8 | - | H | NAG-3 | 88 | 68 | ||
| - | K | MAN-4 | 93 | 50 | - | H | MAN-4 | 39 | 70 | |||
| - | K | MAN-8 | 75 | 68 | - | H | MAN-5 | 17 | 1 | |||
| NAG-9 | - | K | FUC-2 | 89 | - | - | H | MAN-8 | 75 | 68 | ||
| GAL-10 | - | - | - | - | - | NAG-9 | - | H | FUC-2 | 91 | - | |
| GAL-10 | 335 | K | Thr | 56 | - | |||||||
*
Residue positions from 1HZH are shown using Kabat numbering. # Percentage of structures in both 300 K simulations which have the contact formed (see Methods for contact definition). Contacts in bold do not exist in the crystal structure for 1HZH as a fully glycosylated G2F (see Fig. 6).