Project name: 1LVB unbound default 2 run B EATQLMN ss: CCCCCCC

Status: done

submitted: 2015-02-25 18:46:48, status changed: 2015-03-13 11:03:17

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) 38.7665 5.93296 29.3015 230
cluster_2.pdb ( medoid) 30.4883 4.09993 20.5252 125
cluster_3.pdb ( medoid) 26.3037 4.7902 15.2684 126
cluster_4.pdb ( medoid) 15.0468 9.96888 25.0648 150
cluster_5.pdb ( medoid) 7.88153 12.4341 35.9213 98
cluster_6.pdb ( medoid) 6.30142 9.99775 31.3638 63
cluster_7.pdb ( medoid) 5.87899 13.0975 33.5226 77
cluster_8.pdb ( medoid) 5.16902 11.2207 29.5254 58
cluster_9.pdb ( medoid) 4.32093 8.7944 26.2824 38
cluster_10.pdb ( medoid) 3.51487 9.95769 21.9124 35
Laboratory of Theory of Biopolymers 2015