Project name: 1CZZ unbound default 2 run C PQQATDD ss: CEECCCC

Status: done

submitted: 2015-02-25 18:46:45, status changed: 2015-03-13 11:22:55

Project settings
Protein sequence(s) EALSSKVQQLERSIGLKDLAMADLEQKVLEMEASTYDGVFIWKISDFPRKRQEAVAGRIPAIFSPAFYTSRYGYKMCLRIYLNGDGTGRGTHLSLFFVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDAFRPDVTSSSFQRPVNDMNIASGCPLFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL input pdb
Peptide sequence PQQATDD
Simulation mc cycles50
Peptide secondary structure CEECCCC
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
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) 52.5246 3.90293 13.6976 205
cluster_2.pdb ( medoid) 44.6031 3.56478 22.0059 159
cluster_3.pdb ( medoid) 31.0557 3.60642 21.2143 112
cluster_4.pdb ( medoid) 22.3569 8.94577 26.9688 200
cluster_5.pdb ( medoid) 20.4869 5.56453 19.1655 114
cluster_6.pdb ( medoid) 13.0158 5.60855 21.8556 73
cluster_7.pdb ( medoid) 11.0527 5.06662 11.5565 56
cluster_8.pdb ( medoid) 3.95866 6.56787 25.3021 26
cluster_9.pdb ( medoid) 3.23823 10.1908 23.7156 33
cluster_10.pdb ( medoid) 2.54905 8.63066 25.6052 22
Laboratory of Theory of Biopolymers 2015