Project name: 1d4t bound default 3 runA KSLTIYAQVQK ss: CCCEEEECECC

Status: done

submitted: 2015-02-23 11:18:58, status changed: 2015-03-13 11:08:12

Project settings
Protein sequence(s) MDAVAVYHGKISRETGEKLLLATGLDGSYLLRDSESVPGVYCLCVLYHGYIYTYRVSQTETGSWSAETAPGVHKRYFRKIKNLISAFQKPDQGIVIPLQYPVEK input pdb
Peptide sequence KSLTIYAQVQK
Simulation mc cycles50
Peptide secondary structure CCCEEEECECC
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
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
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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) 36.2578 4.13704 16.0612 150
cluster_2.pdb ( medoid) 22.7677 7.46672 18.0994 170
cluster_3.pdb ( medoid) 19.5343 5.22158 15.7117 102
cluster_4.pdb ( medoid) 17.9381 7.74888 19.455 139
cluster_5.pdb ( medoid) 17.1394 10.4438 27.3884 179
cluster_6.pdb ( medoid) 9.19086 9.03071 19.0343 83
cluster_7.pdb ( medoid) 6.17601 9.22926 26.2934 57
cluster_8.pdb ( medoid) 5.45386 6.96754 15.3547 38
cluster_9.pdb ( medoid) 4.81282 10.5967 27.8311 51
cluster_10.pdb ( medoid) 3.71247 8.35025 21.4226 31
Laboratory of Theory of Biopolymers 2015