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Percentage Occupation of Hydrogen Bonds
| basin A | basin B | basin C | rest | |||||
|---|---|---|---|---|---|---|---|---|
| C=Oa | COO−b | C=O | COO− | C=O | COO− | C=O | COO− | |
| Arg106 | 0.4 | 96.6 | 46.1 | 86.9 | 0.1 | 1.3 | 2.4 | 26.1 |
| Asn138 | 0.1 | 61.4 | 76.7 | 0.1 | 3.5 | 6.1 | 7.3 | 12.3 |
| Arg169 | 90.3 | 54.9 | 0.0 | 99.3 | 7.8 | 80.0 | 9.8 | 64.6 |
| His193 | 0.0 | 92.7 | 78.8 | 1.5 | 10.4 | 17.8 | 15.3 | 24.2 |
| Thr248 | 8.1 | 0.1 | 0.0 | 26.2 | 3.4 | 53.5 | 2.1 | 35.3 |
Carbonyl oxygen of the substrate pyruvate as hydrogen bond acceptor.
One of the two carboxyl oxygens of the substrate pyruvate as hydrogen bond acceptor.
