Project name: Calcineurin

Status: done

submitted: 2017-12-06 05:05:10, status changed: 2017-12-06 19:55:47

Project settings
Protein sequence(s) VPFPPSHRLTAKEVFDNDGKPRVDILKAHLMKEGRLEESVALRIITEGASILRQEKNLLDIDAPVTVCGDIHGQFFDLMKLFEVGGSPANTRYLFLGDYVDRGYFSIECVLYLWALKILYPKTLFLLRGNHECRHLTEYFTFKQECKIKYSERVYDACMDAFDCLPLAALMNQQFLCVHGGLSPEINTLDDIRKLDRFKEPPAYGPMCDILWSDPLEDFGNEKTQEHFTHNTVRGCSYFYSYPAVCEFLQHNNLLSILRAHEAQDAGYRMYRKSQTTGFPSLITIFSAPNYLDVYNNKAAVLKYENNVMNIRQFNCSPHPYWLPNFMGPHPVIVITGPHEELE input pdb
Peptide sequence AGPHPVIVITKPHEE
Simulation mc cycles150
Peptide secondary structure 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) 35.5897 2.05115 4.49919 73
cluster_2.pdb ( medoid) 29.7922 8.76069 58.958 261
cluster_3.pdb ( medoid) 29.3339 3.8181 11.9786 112
cluster_4.pdb ( medoid) 26.2615 4.37904 10.8749 115
cluster_5.pdb ( medoid) 23.3202 3.55914 10.7314 83
cluster_6.pdb ( medoid) 16.0951 8.69829 28.2921 140
cluster_7.pdb ( medoid) 9.62033 9.45913 25.7983 91
cluster_8.pdb ( medoid) 7.89467 2.78669 4.15861 22
cluster_9.pdb ( medoid) 2.58078 20.149 46.1726 52
cluster_10.pdb ( medoid) 2.5688 19.8537 35.9196 51

 
Laboratory of Theory of Biopolymers 2015