Project name: 1LVB unbound default 3 run B EATQLMN ss: CCCCCCC

Status: done

submitted: 2015-02-25 18:47:31, status changed: 2015-03-13 11:25:24

Project settings
Protein sequence(s) PRDYNPISSTICHLTNESDGHTTSLYGIGFGPFIITNKHLFRRNNGTLLVQSLHGVFKVKNTTTLQQHLIDGRDMIIIRMPKDFPPFPQKLKFREPQREERICLVTTNFQTKSMSSMVSDTSCTFPSSDGIFWKHWIQTKDGQAGSPLVSTRDGFIVGIHSASNFTNTNNYFTSVPKNFMELLTNQEAQQWVSGWRLNADSVLWGGHKVFMSKP input pdb
Peptide sequence EATQLMN
Simulation mc cycles50
Peptide secondary structure CCCCCCC
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_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) 27.4497 5.93814 17.1675 163
cluster_2.pdb ( medoid) 24.5648 6.71693 23.6896 165
cluster_3.pdb ( medoid) 22.6615 5.64836 24.9706 128
cluster_4.pdb ( medoid) 20.479 4.98071 16.2381 102
cluster_5.pdb ( medoid) 12.8261 7.79659 22.8668 100
cluster_6.pdb ( medoid) 8.97962 9.79996 30.1447 88
cluster_7.pdb ( medoid) 8.52553 8.67981 32.8072 74
cluster_8.pdb ( medoid) 7.70041 9.99946 32.7545 77
cluster_9.pdb ( medoid) 4.51907 13.0558 35.3004 59
cluster_10.pdb ( medoid) 2.80607 15.6803 34.134 44
Laboratory of Theory of Biopolymers 2015