Project name: Calcineurin

Status: done

submitted: 2017-12-05 21:54:25, status changed: 2017-12-06 03:19:45

Project settings
Protein sequence(s) VPFPPSHRLTAKEVFDNDGKPRVDILKAHLMKEGRLEESVALRIITEGASILRQEKNLLDIDAPVTVCGDIHGQFFDLMKLFEVGGSPANTRYLFLGDYVDRGYFSIECVLYLWALKILYPKTLFLLRGNHECRHLTEYFTFKQECKIKYSERVYDACMDAFDCLPLAALMNQQFLCVHGGLSPEINTLDDIRKLDRFKEPPAYGPMCDILWSDPLEDFGNEKTQEHFTHNTVRGCSYFYSYPAVCEFLQHNNLLSILRAHEAQDAGYRMYRKSQTTGFPSLITIFSAPNYLDVYNNKAAVLKYENNVMNIRQFNCSPHPYWLPNFMGPHPVIVITGPHEELE input pdb
Peptide sequence AGPHPVIVITKPHEE
Simulation mc cycles50
Peptide secondary structure psipred CCCCCEEEEECCCCC
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) 43.1995 2.89355 14.2044 125
cluster_2.pdb ( medoid) 39.5538 2.57877 39.7798 102
cluster_3.pdb ( medoid) 39.3473 3.60889 9.086 142
cluster_4.pdb ( medoid) 34.1453 3.66082 8.22588 125
cluster_5.pdb ( medoid) 17.7059 7.39867 16.9189 131
cluster_6.pdb ( medoid) 12.935 8.34942 32.9035 108
cluster_7.pdb ( medoid) 10.0989 8.31778 21.6602 84
cluster_8.pdb ( medoid) 7.91072 9.60721 21.8766 76
cluster_9.pdb ( medoid) 7.82468 7.92364 21.03 62
cluster_10.pdb ( medoid) 3.22278 13.9631 38.6404 45

 
Laboratory of Theory of Biopolymers 2015