Project name: 2DVJ unbound default A PPPALPPKK ss: CCCCCCCCC

Status: done

submitted: 2015-02-20 17:44:31, status changed: 2015-03-13 11:02:15

Project settings
Protein sequence(s) MAGNFDSEERSSWYWGRLSRQEAVALLQGQRHGVFLVRDSSTSPGDYVLSVSENSRVSHYIINSSGPRPPVPPSPAQPPPGVSPSRLRIGDQEFDSLPALLEFYKIHYLDTTTLIEPVSRSRQGSGVILRQEEAEYVRALFDFNGNDEEDLPFKKGDILRIRDKPEEQWWNAEDSEGKRGMIPVPYVEKYRPASASVSALIGGNQEGSHPQPLGGPEPGPYAQPSVNT input pdb
Peptide sequence PPPALPPKK
Simulation mc cycles50
Peptide secondary structure CCCCCCCCC
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
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
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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) 54.569 5.09447 32.1009 278
cluster_2.pdb ( medoid) 26.0229 4.53447 18.3998 118
cluster_3.pdb ( medoid) 23.261 3.74016 9.89119 87
cluster_4.pdb ( medoid) 17.592 3.06958 12.3107 54
cluster_5.pdb ( medoid) 15.4354 7.77435 32.0048 120
cluster_6.pdb ( medoid) 10.5353 6.8342 25.5508 72
cluster_7.pdb ( medoid) 10.0081 8.99268 29.4676 90
cluster_8.pdb ( medoid) 8.73058 5.49791 11.4689 48
cluster_9.pdb ( medoid) 7.98786 11.0167 31.5656 88
cluster_10.pdb ( medoid) 4.51719 9.96194 27.9853 45
Laboratory of Theory of Biopolymers 2015