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

Status: done

submitted: 2015-02-20 17:44:46, status changed: 2015-03-13 11:30:35

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
model_2 Download
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model_4 Download
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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) 53.0358 2.77171 19.3704 147
cluster_2.pdb ( medoid) 49.3975 3.40098 18.0025 168
cluster_3.pdb ( medoid) 41.0589 3.11747 19.5149 128
cluster_4.pdb ( medoid) 37.7985 2.8308 12.4252 107
cluster_5.pdb ( medoid) 34.1784 3.94986 16.6093 135
cluster_6.pdb ( medoid) 29.9086 3.10947 12.6382 93
cluster_7.pdb ( medoid) 8.64974 10.1737 29.1911 88
cluster_8.pdb ( medoid) 3.69056 13.5481 34.6126 50
cluster_9.pdb ( medoid) 3.32782 13.8228 41.7849 46
cluster_10.pdb ( medoid) 3.19645 11.8882 31.8115 38
Laboratory of Theory of Biopolymers 2015