Project name: 2HPJ unbound default 3 run A DDLYG ss: CCCCC

Status: done

submitted: 2015-02-25 18:47:39, status changed: 2015-03-13 11:03:24

Project settings
Protein sequence(s) SASPAVAELCQNTPETFLEASKLLLTYADNILRNPSDEKYRSIRIGNTAFSTRLLPVRGAVECLFEMGFEEGETHLIFPKKASVEQLQKIRDLIAIERS input pdb
Peptide sequence DDLYG
Simulation mc cycles50
Peptide secondary structure CCCCC
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
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model_6 Download
model_7 Download
model_8 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) 39.6935 2.26737 6.82404 90
cluster_2.pdb ( medoid) 35.7361 4.02954 22.8339 144
cluster_3.pdb ( medoid) 33.1643 4.79431 23.2733 159
cluster_4.pdb ( medoid) 32.3314 2.62903 12.1061 85
cluster_5.pdb ( medoid) 31.1872 3.84773 9.43122 120
cluster_6.pdb ( medoid) 15.1007 5.23156 17.0321 79
cluster_7.pdb ( medoid) 13.8532 8.44568 30.6645 117
cluster_8.pdb ( medoid) 9.65784 10.1472 37.9549 98
cluster_9.pdb ( medoid) 4.72953 10.9948 34.3777 52
cluster_10.pdb ( medoid) 3.40979 16.4233 36.5925 56
Laboratory of Theory of Biopolymers 2015