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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:

  1. 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
  2. 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 nameΔGnoelec

(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)
Download outputs
Archive file of all the outputs (.tgz)
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This work is co-funded by the Horizon 2020 projects EOSC-hub and EGI-ACE (grant numbers 777536 and 101017567), BioExcel (grant numbers 823830 and 675728)
and by a computing grant from NWO-ENW (project number 2019.053).