Table 2. The proteins and set of structures used to establish the docking and clustering procedures for the water placement method.
| Protein | PDB codes | Resolution (Å) | Ligand |
| HIV-Protease | 3FX5, 1HPX, 2ZYEa | 0.93, 2,1.9 | KNI-272 |
| Ribonuclease A | 1KF5, 1FS3, 5RSAa | 1.2, 1.4, 2 | None |
| GluR2 ligand binding core | 1FTMb, 1MY2b | 1.7, 1.8 | AMPA |
| Trypsin | 1S0Q, 1UTQ, 1TPO | 1.0, 1.2, 1.7 | None |
| Concanavalin A | 1NLS, 1GKB, 1JBC, 1QNYa | 0.9, 1.6, 1.2, 1.8 | None |
| Glutathione S-transferase | 1K3Yb, 1K3Lb | 1.3, 1,5 | S-hexyl glutatione |
| Carbonic Anhydrase | 3KS3, 3MWO, 2ILI | 0.9, 1.4, 1.1 | None |
a
Structures that have been determined by neutron diffraction.
b
Structures where multiple chains have been used to validate ordered water molecules.