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

Status: done

submitted: 2015-02-25 18:46:46, status changed: 2015-03-13 10:52:13

Project settings
Protein sequence(s) IVCHTTATIPSSAVTCPPGENLCYRKMWCDAFCSSRGKVVELGCAATCPSKKPYEEVTCCSTDKCNHPPKRQPG input pdb
Peptide sequence WRYYESSLLPYPD
Simulation mc cycles50
Peptide secondary structure CEEECCEEEEECC
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) 21.4073 7.66094 27.1056 164
cluster_2.pdb ( medoid) 19.5997 6.53072 22.3952 128
cluster_3.pdb ( medoid) 18.9902 8.26743 33.2454 157
cluster_4.pdb ( medoid) 16.6983 6.9468 22.1864 116
cluster_5.pdb ( medoid) 12.7816 8.05844 19.9651 103
cluster_6.pdb ( medoid) 10.6922 4.30221 12.0626 46
cluster_7.pdb ( medoid) 10.1786 7.85959 23.4113 80
cluster_8.pdb ( medoid) 9.70357 9.89327 31.2331 96
cluster_9.pdb ( medoid) 9.28427 7.75506 23.8613 72
cluster_10.pdb ( medoid) 4.53124 8.38623 18.8594 38
Laboratory of Theory of Biopolymers 2015