Project name: 1B9K unbound default 3 run A PKGWVTFE ss: CCCCCCCC

Status: done

submitted: 2015-02-25 18:47:42, status changed: 2015-03-13 11:17:50

Project settings
Protein sequence(s) EDNFARFVCKNNGVLFENQLLQIGLKSEFRQNLGRMFIFYGNKTSTQFLNFTPTLICADDLQTNLNLQTKPVDPTVDGGAQVQQVINIECISDFTEAPVLNIQFRYGGTFQNVSVKLPITLNKFFQPTEMASQDFFQRWKQLSNPQQEVQNIFKAKHPMDTEITKAKIIGFGSALLEEVDPNPANFVGAGIIHTKTTQIGCLLRLEPNLQAQMYRLTLRTSKDTVSQRLCELLSEQF input pdb
Peptide sequence PKGWVTFE
Simulation mc cycles50
Peptide secondary structure CCCCCCCC
Flexible regions
Unlikely to bind regions
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Zoom/rotate predicted model of the complex using mouse. Click the "View" button on the right panel to load the appropriate model. View in JSmol (pure html5/js) if you got rendering problems.
Models are ranked and numbered according to their occurrence in docking trajectory (1 = most probable result).
Representative conformations
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Click the "View" button to load the contact map of appropriate model.
Representative conformations
model_1 View
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model_4 View
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model_7 View
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model_10 View

Receptor residuePeptide residue
Receptor residuePeptide residue
Receptor residuePeptide residue
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Trajectories
replica_1 Download
replica_2 Download
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replica_8 Download
replica_9 Download
replica_10 Download
Selected model: model_1.pdb (most representative model of the best cluster) download the model
Details about clusters
cluster namecluster density average rmsdmax rmsdnumber of elements
cluster_1.pdb ( medoid) 19.9219 6.37491 16.4484 127
cluster_2.pdb ( medoid) 19.0445 8.82145 37.4076 168
cluster_3.pdb ( medoid) 16.2606 8.85578 34.425 144
cluster_4.pdb ( medoid) 15.903 5.3449 28.307 85
cluster_5.pdb ( medoid) 14.4243 4.78359 18.573 69
cluster_6.pdb ( medoid) 13.2011 8.33262 23.132 110
cluster_7.pdb ( medoid) 10.6339 3.94963 16.1305 42
cluster_8.pdb ( medoid) 9.70453 4.63701 11.378 45
cluster_9.pdb ( medoid) 9.57188 13.477 41.4163 129
cluster_10.pdb ( medoid) 4.32452 18.7304 54.1686 81
Laboratory of Theory of Biopolymers 2015