Project name: more cycles A only

Status: done

submitted: 2018-10-12 08:57:29, status changed: 2018-10-13 14:15:47

Project settings
Protein sequence(s) YFERLKNRELAFVLDDLQLSDMVTRRGFSVIPFDDFDLAAAAAPPAFVLVTRLDYHGKLMQAWETAKGISSHLSLAKFDTSPKSVEYSLDQLLSMDFAETLKRRGDYYDSVASTNRMEVVTPGAVLTCDFGNEIEIANNDVEMQKGWLYSVAEFFETSVINLEADRSSYTLNGDLCFTGLIYLCNRPDLKERASATMDELMRMSTRNVVSFVDNQIVRMELGGVDMTATLRELIVGKEREGSSTEFAMGCVEYPLAQDWTINSVMNEGSHGIHVGVGMGKEIPHMDFIAKGAALA input pdb
Peptide sequence MKKTIKQISAGDRSKKGNIYW
Simulation mc cycles200
Peptide secondary structure psipred CCCCHHCCCCCCCCCCCCCCC
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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
model_3 Download
model_4 Download
model_5 Download
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) 43.0028 2.62774 14.7968 113
cluster_2.pdb ( medoid) 24.4823 4.86065 12.0587 119
cluster_3.pdb ( medoid) 20.0944 6.41971 19.658 129
cluster_4.pdb ( medoid) 18.0738 8.40995 36.337 152
cluster_5.pdb ( medoid) 17.4141 5.28307 12.969 92
cluster_6.pdb ( medoid) 12.0168 8.65456 32.1028 104
cluster_7.pdb ( medoid) 10.7148 9.14627 18.1641 98
cluster_8.pdb ( medoid) 8.68081 7.94856 15.9952 69
cluster_9.pdb ( medoid) 8.53591 6.56052 35.9562 56
cluster_10.pdb ( medoid) 8.16815 8.32502 17.6313 68

 
Laboratory of Theory of Biopolymers 2015