# Cluster means what

**URL:** <https://ask.bioexcel.eu/t/cluster-means-what/1707>\
**Category:** Uncategorized\
**Created:** [October 6, 2019, 6:56am UTC](https://ask.bioexcel.eu/t/cluster-means-what/1707 "2019-10-06T06:56:20Z")\
**Posts on this page:** 4\
**Page:** 1

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**Author:** ![satya22](https://avatars.discourse-cdn.com/v4/letter/s/da6949/32.png) [@satya22](https://ask.bioexcel.eu/u/satya22)\
**Post date:** [October 6, 2019, 6:56am UTC](https://ask.bioexcel.eu/t/cluster-means-what/1707/1 "2019-10-06T06:56:20Z")

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Sir,  
here i have 1 query what do you mean by cluster.  
what signifies about cluster 1\_4 and 6\_4 is there any difference if it is then what is that.  
how can we defend our best pose and docking score  
which one will be our most appropriate dock pose  
is there any significance due to number present in 1\_4 and 6\_4  
it will help me on my research and also in analysis of my results

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**Author:** ![satya22](https://avatars.discourse-cdn.com/v4/letter/s/da6949/32.png) [@satya22](https://ask.bioexcel.eu/u/satya22)\
**Post date:** [October 6, 2019, 7:00am UTC](https://ask.bioexcel.eu/t/cluster-means-what/1707/2 "2019-10-06T07:00:39Z")

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Cluster 1 (what signifies all these values)  
HADDOCK score -191.3 +/- 3.2  
Cluster size 81  
RMSD from the overall lowest-energy structure 6.3 +/- 0.1  
Van der Waals energy -66.3 +/- 7.2  
Electrostatic energy -446.1 +/- 42.9  
Desolvation energy -60.2 +/- 6.8  
Restraints violation energy 244.9 +/- 20.15  
Buried Surface Area 1874.0 +/- 68.8  
Z-Score -1.8

Another question is like what do you men by Nr 1 best structure how can we defend that  
Nr 1 best structure Download structure   
Nr 2 best structure Download structure  
Nr 3 best structure Download structure  
Nr 4 best structure Download structure

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**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [October 6, 2019, 7:23am UTC](https://ask.bioexcel.eu/t/cluster-means-what/1707/3 "2019-10-06T07:23:29Z")

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The cluster first number indicates the size of the cluster, i.e. cluster1\_… is the largest cluster.  
The second number indicated the rank of a given model within that cluster, i.e. cluster1\_4 is model #4 from cluster1

The cluster ranking is however given by the HADDOCK score.

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**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [October 6, 2019, 7:29am UTC](https://ask.bioexcel.eu/t/cluster-means-what/1707/4 "2019-10-06T07:29:30Z")

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It sounds like some reading would be best… especially if you have no idea what some of those terms mean.  
Start with the basic JACS 2003 HADDOCK paper. Have a look at our server papers Nature Protocols 2010 and JMB.

- C. Dominguez, R. Boelens and A.M.J.J. Bonvin [ HADDOCK:  
A protein-protein docking approach based on biochemical or biophysical information.](http://pubs.acs.org/doi/abs/10.1021/ja026939x) _J. Am. Chem. Soc._, _125_, 1731-1737 (2003).

You can find info on the HADDOCK software web page and manual at:

[http://www.bonvinlab.org/software/haddock2.2/](http://www.bonvinlab.org/software/haddock2.2/)

[http://www.bonvinlab.org/software/haddock2.2/manual/](http://www.bonvinlab.org/software/haddock2.2/manual/)

And specific about scoring:

[http://www.bonvinlab.org/software/haddock2.2/scoring/](http://www.bonvinlab.org/software/haddock2.2/scoring/)

Also check our Methods in Molecular Biology papers describing the use of HADDOCK, e.g.:

- C. Geng, S. Narasimhan, J. P.G.L.M. Rodrigues and A.M.J.J. Bonvin.[ Information-driven,  
ensemble flexible peptide docking using HADDOCK](https://doi.org/10.1007/978-1-4939-6798-8_8)._Methods in Molecular Biology: Modeling Peptide-Protein Interactions._ Eds Ora Schueler-Furman and Nir London. Humana Press Inc. _1561_ ,  
109-138 (2017).

- M. Trellet, A.S.J. Melquiond and A.M.J.J. Bonvin. [ Information-driven  
modelling of protein-peptide complexes.](http://link.springer.com/protocol/10.1007/978-1-4939-2285-7_10) _Methods in Molecular Biology._ Ed. Peng Zhou. Humana Press Inc. 221-239 (2015)

- J.P.G.L.M Rodrigues, E. Karaca and A.M.J.J. Bonvin. [ Information-driven  
structural modelling of protein-protein interactions.](http://link.springer.com/protocol/10.1007/978-1-4939-1465-4_18) _Methods in Molecular Biology: Molecular Modelling of Proteins._ Ed. Andreas Kokul. Humana Press Inc. 399-424 (2015).

- G.C.P. van Zundert and A.M.J.J. Bonvin. [ Modeling  
protein-protein complexes using the HADDOCK webserver.](http://link.springer.com/protocol/10.1007/978-1-4939-0366-5_12) _Methods in Molecular Biology: Protein Structure Prediction._ Ed. Daisuke Kihara. Humana Press Inc., 163-179 (2014).
