Project name: 2DVJ unbound default 3 run A PPPALPPKK ss: CCCCCCCCC

Status: done

submitted: 2015-02-25 18:47:28, status changed: 2015-03-13 11:10:31

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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model_7 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) 60.6989 4.25049 22.7751 258
cluster_2.pdb ( medoid) 34.1493 3.45541 11.2841 118
cluster_3.pdb ( medoid) 34.1012 3.98813 29.6852 136
cluster_4.pdb ( medoid) 22.8795 4.02106 20.9641 92
cluster_5.pdb ( medoid) 18.9503 3.90495 14.855 74
cluster_6.pdb ( medoid) 18.8316 4.19507 13.3086 79
cluster_7.pdb ( medoid) 13.6906 4.23648 9.24892 58
cluster_8.pdb ( medoid) 10.4238 5.37232 34.6947 56
cluster_9.pdb ( medoid) 6.71483 3.27633 6.91976 22
cluster_10.pdb ( medoid) 0.832625 21.6184 43.4234 18
Laboratory of Theory of Biopolymers 2015