Project name: CD69 PDPNpep

Status: done

submitted: 2017-09-12 21:36:24, status changed: 2017-09-13 03:50:19

Project settings
Protein sequence(s) DSHVSSSSCSEDWVGYQRKCYFISTVKKRSWTSAQNACSEHGATLAVVIDSEKDMNFLKRYAGREEEEHWVGLKKEPGHPWKWSNGKEFNNNWFNVTGSDKKCVFLKNTEVSSMEECEKKNLYWICNKPYKKVSSSCSEDWVGYYQRRKKCYFISTVKRRSWTSAQNNACSSEHGATLAVIDSEKDMNNFLKRYAGREEHWVGLKKEPGHPWKWSNGKEEFNNWFNVTGSDKCVFLKNTEVSSMEECEEKNLYWICNKPYK input pdb
Peptide sequence NVATSHST
Simulation mc cycles100
Peptide secondary structure CCCCCCCC
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
model_2 Download
model_3 Download
model_4 Download
model_5 Download
model_6 Download
model_7 Download
model_8 Download
model_9 Download
model_10 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
replica_5 Download
replica_6 Download
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) 35.2734 1.0206 2.10497 36
cluster_2.pdb ( medoid) 24.9199 5.29698 31.2599 132
cluster_3.pdb ( medoid) 24.7511 10.2218 31.0539 253
cluster_4.pdb ( medoid) 23.6689 5.7882 22.9263 137
cluster_5.pdb ( medoid) 21.7099 8.06082 30.8579 175
cluster_6.pdb ( medoid) 8.16787 8.57016 31.7495 70
cluster_7.pdb ( medoid) 8.00268 6.2479 16.1849 50
cluster_8.pdb ( medoid) 6.68711 9.57065 28.6047 64
cluster_9.pdb ( medoid) 3.77054 14.5868 40.1998 55
cluster_10.pdb ( medoid) 1.97068 14.2083 30.2533 28

 
Laboratory of Theory of Biopolymers 2015