Project name: 2HWQ unbound default 3 run A HKLVQLLTTT ss: CHHHHHHHCC

Status: done

submitted: 2015-02-25 18:47:39, status changed: 2015-03-13 11:10:36

Project settings
Protein sequence(s) ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY 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
model_1 Download
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model_7 Download
model_8 Download
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Click the "View" button to load the contact map of appropriate model.
Representative conformations
model_1 View
model_2 View
model_3 View
model_4 View
model_5 View
model_6 View
model_7 View
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model_9 View
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
replica_3 Download
replica_4 Download
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replica_7 Download
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) 39.5685 2.9569 11.5615 117
cluster_2.pdb ( medoid) 29.2627 6.04865 27.4783 177
cluster_3.pdb ( medoid) 22.4742 5.73991 24.0404 129
cluster_4.pdb ( medoid) 19.6765 6.09864 26.146 120
cluster_5.pdb ( medoid) 18.6625 4.92967 25.9592 92
cluster_6.pdb ( medoid) 16.7519 7.16336 32.4347 120
cluster_7.pdb ( medoid) 9.54533 10.5811 31.2141 101
cluster_8.pdb ( medoid) 9.54332 5.13448 10.5451 49
cluster_9.pdb ( medoid) 5.97283 7.3667 13.9842 44
cluster_10.pdb ( medoid) 3.34522 15.2456 36.955 51
Laboratory of Theory of Biopolymers 2015