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| Host–guest interaction pocket attributes | ||
| Protein–ligand | Protein–protein | |
| Shape | Deep | Shallow, flat |
| Size | ∼300 to 1000Å2 | 1150–1200 Å2 small interfaces97,98 |
| 1200–2000 Å2 medium interfaces | ||
| 2000–4660 Å2 large interfaces97,99,100 | ||
| Types of interaction | Electrostatic interactions, hydrogen bonds, hydrophobic contacts, π-stacking | Hydrophobic contacts (for protein–protein complexes formation) and electrostatic interactions (for PPI stabilization) |
