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

Status: done

submitted: 2015-02-20 17:44:33, status changed: 2015-03-13 11:13:18

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
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) 34.7026 2.50702 18.5347 87
cluster_2.pdb ( medoid) 31.118 0.867665 8.53077 27
cluster_3.pdb ( medoid) 25.3293 7.2643 19.3355 184
cluster_4.pdb ( medoid) 22.5896 6.72876 23.1887 152
cluster_5.pdb ( medoid) 21.2083 10.0433 32.2494 213
cluster_6.pdb ( medoid) 15.5935 5.89989 17.4382 92
cluster_7.pdb ( medoid) 14.5081 3.85992 9.18105 56
cluster_8.pdb ( medoid) 12.0715 9.11241 22.9032 110
cluster_9.pdb ( medoid) 10.8557 4.69798 17.1919 51
cluster_10.pdb ( medoid) 2.99504 9.34878 19.5737 28
Laboratory of Theory of Biopolymers 2015