Project name: 2BCK_CEEASV_E2_with residues

Status: done

submitted: 2026-07-09 10:50:14, status changed: 2026-07-10 07:16:53
Project settings
Protein sequence(s) GSHSMRYFSTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDEETGKVKAHSQTDRENLRIALRYYNQSEAGSHTLQMMFGCDVGSDGRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQITKRKWEAAHVAEQQRAYLEGTCVDGLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEPGSGGGLNDIF input pdb
Peptide sequence CEEASVTVVEGQVDYYGLYYVHEGIR
Simulation mc cycles200
Peptide secondary structure psipred CCCCEEEEEEEEEEEEEEEEEECCCC
Contact information
A:TYR2
A:ALA7
A:TYR7
A:LEU9
A:GLU63
A:LYS66
A:VAL67
A:HIS70
A:ASN77
A:TYR84
A:MET97
A:THR143
A:LYS146
A:TRP147
A:VAL152
A:GLN155
A:GLN156
A:TYR171
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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) 26.4274 3.78395 9.82753 100
cluster_2.pdb ( medoid) 13.1264 8.91334 59.5424 117
cluster_3.pdb ( medoid) 13.0459 10.9613 29.333 143
cluster_4.pdb ( medoid) 12.8647 8.16186 35.4145 105
cluster_5.pdb ( medoid) 11.696 10.5164 54.7912 123
cluster_6.pdb ( medoid) 7.03948 13.2112 29.6203 93
cluster_7.pdb ( medoid) 6.62866 8.90074 26.7626 59
cluster_8.pdb ( medoid) 4.16547 12.0034 28.2367 50
cluster_9.pdb ( medoid) 2.90586 13.4211 24.8894 39
cluster_10.pdb ( medoid) 1.08312 18.4652 37.2341 20

 
Laboratory of Computational Biology, 2020