Project name: 460ctrlredo

Status: done

submitted: 2018-07-10 09:47:30, status changed: 2018-07-24 16:26:34

Project settings
Protein sequence(s) DEFEPPVPDELWPKVDILLCHYSEPAEEAIDTLMACMNVQYPPHLLQIWVCDDGYCKTKWTKGNPIPTVELNKGILETAGDLRQEVAQFMYDRVCDPNEDMEVYAWRKLHSSANLPSPSRCKVVNRADCAVGSFRDDYRYPGLPHVTFIGRVKPETHYSKAGNINNCLYNEGANGRYLIILDTDMQPHPKFILATLPFFFDDEDRQDKAKYICCGVGCNAVAKLCCASCQIAGVPEEQISYCSKDCFENAMHVQSAVHRRQVNGTMSDTNASKIDMRCMNCDAKLPKSGVCRKCGNKGADGEDVSSLHTYSDDVRDNAVAFVQTPQYFRDCIQLQIGDPMGHRNATFYDAIQTGQDGYDCASFAGTNAIFRREALDSIGGIQYGSLTEDCYTGQVLCSMGWKAQYFRKDFEGEPSERIRLAEGLIPDSVAGSLAQRKRWAKGNFQIALMNKKTQYFDPEW input pdb
Peptide sequence FGFTSLIS
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCCC
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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) 32.131 3.54798 16.5113 114
cluster_2.pdb ( medoid) 21.8783 12.2039 50.3628 267
cluster_3.pdb ( medoid) 21.0123 6.18685 33.8151 130
cluster_4.pdb ( medoid) 18.4506 7.42524 16.6095 137
cluster_5.pdb ( medoid) 14.2541 3.9287 27.3246 56
cluster_6.pdb ( medoid) 12.7225 7.30987 38.7827 93
cluster_7.pdb ( medoid) 10.0778 8.73207 18.3805 88
cluster_8.pdb ( medoid) 4.62606 15.1317 40.1761 70
cluster_9.pdb ( medoid) 2.50027 7.99914 26.0261 20
cluster_10.pdb ( medoid) 1.44354 17.3186 50.7728 25

 
Laboratory of Theory of Biopolymers 2015