Project name: 2fvj bound default 3 runA HKLVQLLTTT ss: CHHHHHHHCC

Status: done

submitted: 2015-02-23 11:19:14, status changed: 2015-03-13 11:17:13

Project settings
Protein sequence(s) ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY input pdb
Peptide sequence HKLVQLLTTT
Simulation mc cycles50
Peptide secondary structure CHHHHHHHCC
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
Select trajectory from the right panel to display animation in JSmol. Note that it may hangs browser window for few minutes or ever.
Trajectories
replica_1 Download
replica_2 Download
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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) 66.8572 1.77991 5.50339 119
cluster_2.pdb ( medoid) 41.7978 2.94274 12.7416 123
cluster_3.pdb ( medoid) 40.0705 1.89666 6.15826 76
cluster_4.pdb ( medoid) 30.3223 5.07877 14.3694 154
cluster_5.pdb ( medoid) 23.0631 3.72889 25.0786 86
cluster_6.pdb ( medoid) 20.0156 5.49572 23.4161 110
cluster_7.pdb ( medoid) 16.1674 12.3706 39.7342 200
cluster_8.pdb ( medoid) 11.2449 4.53538 24.3749 51
cluster_9.pdb ( medoid) 10.3161 3.00501 7.4055 31
cluster_10.pdb ( medoid) 4.14297 12.0686 35.1647 50
Laboratory of Theory of Biopolymers 2015