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Box center ligand center : (5.0, -1.0, 13.9) angstrom
Box dimensions ligand-based : (20.6, 20.4, 17.4) angstrom
Runtime 00:03:20

For each ligand conformation, the binding score is reported in kcal/mol, and the heavy-atom RMSD to the original pdb conformation is reported in Å.

To move the protein-ligand complex: use 'Shift' + 'double-click' and then drag the complex to your preferred placement.

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For more things you can do within JSmol, click here.

RMSD values are calculated by comparing the original pdb conformation with each fragment conformation, considering all heavy atoms of the ligand.