Binding information for 4hpi_ligand_frag_5.mol2(FDBF00015)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hpi_ligand_frag_5.mol2 | 4hpi | 1 | -5.82 | C(=O)(N)C | 4 |
Structure and binding mode of 4hpi_ligand_frag_5.mol2(FDBF00015)
Important binding residues for 4hpi_ligand_frag_5.mol2(FDBF00015)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hpi | ILE58 | -0.86 | -1.47 | -2.33 | 0.60 | -1.72 |
| 4hpi | ASN59 | -0.31 | -2.13 | -2.44 | 0.50 | -1.94 |
| 4hpi | TRP63 | -0.46 | -1.65 | -2.11 | 1.56 | -0.54 |
| 4hpi | ILE98 | -0.70 | -0.01 | -0.71 | 0.07 | -0.64 |
| 4hpi | ALA107 | -0.46 | -2.37 | -2.83 | 2.00 | -0.83 |
| 4hpi | TRP108 | -1.06 | -0.47 | -1.53 | 0.38 | -1.14 |
