HADDOCK webserver

HADDOCK server status for docking run e2ahpr

Status: FINISHED

Your HADDOCK run has successfully completed. The complete run can be downloaded as a gzipped tar file here (unavaible for this example). Your results have been clustered, and the top 10 clusters are shown here. The top cluster is the most reliable according to HADDOCK.

Cluster 1: View the docking solutions in a Jmol structure viewer. Your browser must be Java enabled:

Cluster 3: View the docking solutions in a Jmol structure viewer. Your browser must be Java enabled:

Cluster 2: View the docking solutions in a Jmol structure viewer. Your browser must be Java enabled:

Cluster 5: View the docking solutions in a Jmol structure viewer. Your browser must be Java enabled:

Cluster 4: View the docking solutions in a Jmol structure viewer. Your browser must be Java enabled:

Note that HADDOCK results are deleted after one week.

HADDOCK score	-154.5 +/- 4.4
Cluster size	126
RMSD from the overall lowest-energy structure	0.6 +/- 0.4
Van der Waals energy	-39.0 +/- 1.3
Electrostatic energy	-591.8 +/- 15.3
Desolvation energy	-0.4 +/- 4.8
Restraints violation energy	32.6 +/- 12.40
Buried Surface Area	1648.4 +/- 40.3

Nr 1 best structure	View structure	Download structure
Nr 2 best structure	View structure	Download structure
Nr 3 best structure	View structure	Download structure
Nr 4 best structure	View structure	Download structure

HADDOCK score	-141.1 +/- 8.7
Cluster size	20
RMSD from the overall lowest-energy structure	8.9 +/- 0.1
Van der Waals energy	-41.0 +/- 5.4
Electrostatic energy	-554.1 +/- 26.6
Desolvation energy	3.6 +/- 5.4
Restraints violation energy	71.2 +/- 10.83
Buried Surface Area	1693.0 +/- 78.4

Nr 1 best structure	View structure	Download structure
Nr 2 best structure	View structure	Download structure
Nr 3 best structure	View structure	Download structure
Nr 4 best structure	View structure	Download structure

HADDOCK score	-108.7 +/- 2.1
Cluster size	39
RMSD from the overall lowest-energy structure	9.9 +/- 0.2
Van der Waals energy	-41.4 +/- 4.3
Electrostatic energy	-450.1 +/- 7.9
Desolvation energy	12.7 +/- 2.6
Restraints violation energy	101.2 +/- 15.17
Buried Surface Area	1697.6 +/- 59.0

HADDOCK score	-89.0 +/- 14.0
Cluster size	5
RMSD from the overall lowest-energy structure	2.8 +/- 0.1
Van der Waals energy	-38.0 +/- 2.5
Electrostatic energy	-316.4 +/- 79.3
Desolvation energy	-2.0 +/- 3.1
Restraints violation energy	142.8 +/- 14.56
Buried Surface Area	1461.5 +/- 46.6

HADDOCK score	-85.5 +/- 13.7
Cluster size	7
RMSD from the overall lowest-energy structure	6.5 +/- 0.3
Van der Waals energy	-21.1 +/- 1.9
Electrostatic energy	-389.7 +/- 26.4
Desolvation energy	4.1 +/- 5.5
Restraints violation energy	95.1 +/- 26.03
Buried Surface Area	1317.0 +/- 86.1