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HADDOCK server status for job "XL-MS-trimer"


Your HADDOCK run has successfully completed. The complete run can be downloaded as a gzipped tar file here. The file containing your docking parameters is here.

Please cite the following paper in your work:

G.C.P van Zundert, J.P.G.L.M. Rodrigues, M. Trellet, C. Schmitz, P.L. Kastritis, E. Karaca, A.S.J. Melquiond, M. van Dijk, S.J. de Vries and A.M.J.J. Bonvin (2016). "The HADDOCK2.2 webserver: User-friendly integrative modeling of biomolecular complexes."
J. Mol. Biol., 428, 720-725 (2015).

and add the following acknowledgment:

The FP7 WeNMR (project# 261572), H2020 West-Life (project# 675858) and the EOSC-hub (project# 777536) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, TW-NCHC, SURFsara and NIKHEF, and the additional support of the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, Taiwan and the US Open Science Grid.

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Post-processing: SUCCESS


HADDOCK clustered 200 structures in 2 cluster(s), which represents 100 % of the water-refined models HADDOCK generated. Note that currently the maximum number of models considered for clustering is 200.

The statistics of the top 10 clusters are shown below. The top cluster is the most reliable according to HADDOCK. Its Z-score indicates how many standard deviations from the average this cluster is located in terms of score (the more negative the better).

A graphical representation of the results is also provided at the bottom of the page.

You can also download all cluster files (best 4 of the top 10 cluster(s)).

Cluster 2

HADDOCK score 248.8 +/- 3.8
Cluster size 81
RMSD from the overall lowest-energy structure 0.1 +/- 0.1
Van der Waals energy -144.8 +/- 1.2
Electrostatic energy -37.5 +/- 3.9
Desolvation energy -90.0 +/- 1.2
Restraints violation energy 490.8 +/- 3.2
Buried Surface Area 4804.9 +/- 46.7
Z-Score -1.0

Nr 1 best structure
Nr 2 best structure
Nr 3 best structure
Nr 4 best structure

Cluster 1

HADDOCK score 250.9 +/- 1.8
Cluster size 119
RMSD from the overall lowest-energy structure 28.8 +/- 0.0
Van der Waals energy -145.7 +/- 1.8
Electrostatic energy -34.9 +/- 4.4
Desolvation energy -89.8 +/- 1.4
Restraints violation energy 493.3 +/- 0.9
Buried Surface Area 4841.9 +/- 35.3
Z-Score 1.0

Nr 1 best structure
Nr 2 best structure
Nr 3 best structure
Nr 4 best structure

Model Analysis (Download all plots)

Cluster Analysis