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

Status: done

submitted: 2015-02-25 18:46:55, status changed: 2015-03-13 11:17:00

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
model_8 View
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) 32.5727 4.11387 11.8838 134
cluster_2.pdb ( medoid) 29.3378 4.09029 14.1421 120
cluster_3.pdb ( medoid) 21.775 5.97014 34.5006 130
cluster_4.pdb ( medoid) 21.7735 4.17938 11.5507 91
cluster_5.pdb ( medoid) 19.425 7.82499 38.0477 152
cluster_6.pdb ( medoid) 18.4713 5.14311 32.9735 95
cluster_7.pdb ( medoid) 17.4442 6.13386 31.5078 107
cluster_8.pdb ( medoid) 9.86617 6.79088 24.564 67
cluster_9.pdb ( medoid) 9.26689 7.44587 18.2602 69
cluster_10.pdb ( medoid) 3.964 8.82947 28.2767 35
Laboratory of Theory of Biopolymers 2015