Project name: 3EKK unbound default A YNPYPEDYGDIEIG ss: CCCCHHHCCCCCCC

Status: done

submitted: 2015-02-20 17:44:51, status changed: 2015-03-13 11:22:38

Project settings
Protein sequence(s) PSSVYVPDEWEVSREKITLLRELGQGSFGMVYEGNARDIIKGEAETRVAVKTVNESASLRERIEFLNEASVMKGFTCHHVVRLLGVVSKGQPTLVVMELMAHGDLKSYLRSLRPEAENNPGRPPPTLQEMIQMAAEIADGMAYLNAKKFVHRNLAARNCMVAHDFTVKIGDFLLPVRWMAPESLKDGVFTTSSDMWSFGVVLWEITSLAEQPYQGLSNEQVLKFVMDGGYLDQPDNCPERVTDLMRMCWQFNPNMRPTFLEIVNLLKDDLHPSFPEVSFFHSEEN input pdb
Peptide sequence YNPYPEDYGDIEIG
Simulation mc cycles50
Peptide secondary structure CCCCHHHCCCCCCC
Flexible regions
Unlikely to bind regions
Re-submit project
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
 

Download all files
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) 29.0817 6.46455 18.2357 188
cluster_2.pdb ( medoid) 25.2708 4.03628 17.3462 102
cluster_3.pdb ( medoid) 25.0744 4.18754 17.7117 105
cluster_4.pdb ( medoid) 21.9484 2.50588 8.82011 55
cluster_5.pdb ( medoid) 19.2068 8.79898 22.4441 169
cluster_6.pdb ( medoid) 18.4862 3.73251 14.9205 69
cluster_7.pdb ( medoid) 14.1779 6.91216 18.0336 98
cluster_8.pdb ( medoid) 12.1333 6.51101 15.7553 79
cluster_9.pdb ( medoid) 11.5884 8.54301 18.5661 99
cluster_10.pdb ( medoid) 3.34214 10.7715 19.7758 36
Laboratory of Theory of Biopolymers 2015