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Your PRODIGY-LIGAND prediction has finished successfully.
Please note that the results will be deleted after two weeks.
To cite PRODIGY-LIGAND, please refer to:
- Vangone A., Schaarschmidt J., Koukos P., Geng C., Citro N., Trellet M.E., Xue L., Bonvin A.M.J.J. “Large-scale prediction of binding affinity in protein-small ligand complexes: the PRODIGY-LIG web server”, Bioinformatics, bty816, https://doi.org/10.1093/bioinformatics/bty816
- Kurkcuoglu Z., Koukos P.I., Citro N., Trellet M.E., Rodrigues J.P.G.L.M., Moreira I.S., Roel-Touris J., Melquiond A.S.J., Geng C., Schaarschmidt J., Xue L.C., Vangone A. and Bonvin A.M.J.J. "Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2". J. Comp. Aid. Mol. Des.32, 175-185 (2018).
For more information about the predictive model please check the PRODIGY-LIGAND prediction method page.
Further information can be found in the PRODIGY-LIGAND Manual and an example of the PRODIGY-LIGAND output can be found here.
Back to PRODIGY-LIGAND home page
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Binding affinity
| Job name | ΔGnoelec (Kcal/mol) |
|---|---|
| 1 | -5.4 |
Prediction details
Number of Atomic Contacts per type:
| Atomic contacts - CC: | 151 |
| Atomic contacts - CO: | 169 |
| Atomic contacts - CN: | 33 |
| Atomic contacts - CX: | 2 |
| Atomic contacts - OO: | 31 |
| Atomic contacts - OX: | 2 |
| Atomic contacts - NO: | 27 |
| Atomic contacts - NN: | 0 |
| Atomic contacts - NX: | 0 |
| Atomic contacts - NN: | 0 |
| Atomic contacts - XX: | 0 |
Table of the ICs at the interface:
| List of residue-residue pairs at the interface (.txt) |
