Project name: 2r7g bound default 3 runC PPTLHELYDL ss: CCCHHHHCCC

Status: done

submitted: 2015-02-23 11:19:19, status changed: 2015-03-13 11:08:31

Project settings
Protein sequence(s) NTIQQLMMILNSASDQPSENLISYFNNCTVNPKESILKRVKDIGYIFKEKFAKAVGQGCVEIGSQRYKLGVRLYYRVMESMLKSEEERLSIQNFSKLLNDNIFHMSLLACALEVVMATYSRSTGTDLSFPWILNVLNLKAFDFYKVIESFIKAEGNLTREMIKHLERCEHRIMESLAWLSDSPLFDLIKQSKDRKSTSLSLFYKKVYRLAYLRLNTLCERLLSEHPELEHIIWTLFQHTLQNEYELMRDRHLDQIMMCSMYGICKVKNIDLKFKIIVTAYKDLPHAVQETFKRVLIKEEEYDSIIVFYNSVFMQRLKTNILQYASTRPPTLSPIPHI input pdb
Peptide sequence PPTLHELYDL
Simulation mc cycles50
Peptide secondary structure CCCHHHHCCC
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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Click the "View" button to load the contact map of appropriate model.
Representative conformations
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model_7 View
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model_10 View

Receptor residuePeptide residue
Receptor residuePeptide residue
Receptor residuePeptide residue
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Trajectories
replica_1 Download
replica_2 Download
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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) 58.3572 2.69033 8.35355 157
cluster_2.pdb ( medoid) 39.2639 3.89671 11.7499 153
cluster_3.pdb ( medoid) 26.6711 3.89935 17.5088 104
cluster_4.pdb ( medoid) 24.4382 5.89242 14.1792 144
cluster_5.pdb ( medoid) 21.1536 4.0655 8.08587 86
cluster_6.pdb ( medoid) 14.3127 6.9868 14.646 100
cluster_7.pdb ( medoid) 11.8808 4.71349 8.91547 56
cluster_8.pdb ( medoid) 10.675 11.8969 28.6931 127
cluster_9.pdb ( medoid) 7.79823 6.66818 15.8288 52
cluster_10.pdb ( medoid) 2.43783 8.6142 14.5237 21
Laboratory of Theory of Biopolymers 2015