Welcome to the Utrecht Biomolecular Interaction Web Portal >>

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

How would you rate your experience with our portal? sentiment_very_dissatisfied sentiment_dissatisfied sentiment_neutral sentiment_satisfied sentiment_very_satisfied

Binding affinity

Job nameΔGprediction

(Kcal/mol)

ΔGscore
4jrg -10.1 59.3

Prediction details

Number of Atomic Contacts per type:
Atomic contacts - CC:2415
Atomic contacts - CO:591
Atomic contacts - CN:795
Atomic contacts - CX:288
Atomic contacts - OO:20
Atomic contacts - OX:51
Atomic contacts - NO:75
Atomic contacts - NN:55
Atomic contacts - NX:61
Atomic contacts - NN:55
Atomic contacts - XX:5
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)