Project name: 2ABX unbound default 3 run A WRYYESSLLPYPD ss: CEEECCEEEEECC

Status: done

submitted: 2015-02-25 18:47:30, status changed: 2015-03-13 11:04:21

Project settings
Protein sequence(s) IVCHTTATIPSSAVTCPPGENLCYRKMWCDAFCSSRGKVVELGCAATCPSKKPYEEVTCCSTDKCNHPPKRQPG input pdb
Peptide sequence WRYYESSLLPYPD
Simulation mc cycles50
Peptide secondary structure CEEECCEEEEECC
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
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model_7 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) 29.0506 6.60916 21.714 192
cluster_2.pdb ( medoid) 22.6456 5.0341 14.2113 114
cluster_3.pdb ( medoid) 19.5699 5.00769 28.7757 98
cluster_4.pdb ( medoid) 14.4193 6.03358 26.7531 87
cluster_5.pdb ( medoid) 14.4093 7.14818 18.8824 103
cluster_6.pdb ( medoid) 11.597 6.63963 17.4466 77
cluster_7.pdb ( medoid) 11.0094 8.99231 25.9701 99
cluster_8.pdb ( medoid) 10.5269 9.5945 22.5412 101
cluster_9.pdb ( medoid) 9.22307 8.6739 20.387 80
cluster_10.pdb ( medoid) 6.68827 7.32626 18.607 49
Laboratory of Theory of Biopolymers 2015