Project name: MHCI-pep

Status: done

submitted: 2023-11-28 01:43:28, status changed: 2023-11-28 02:29:25

Project settings
Protein sequence(s) GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE input pdb
Peptide sequence LLTDEMIAQY
Simulation mc cycles5
Peptide secondary structure psipred CCCHHHHHCC
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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) 49.5558 2.01793 4.40805 100
cluster_2.pdb ( medoid) 28.7808 4.76012 12.4676 137
cluster_3.pdb ( medoid) 20.3605 5.3535 20.6445 109
cluster_4.pdb ( medoid) 16.5271 6.11116 19.0151 101
cluster_5.pdb ( medoid) 15.2269 9.52263 23.9945 145
cluster_6.pdb ( medoid) 13.5159 7.84259 24.7669 106
cluster_7.pdb ( medoid) 13.3071 6.83845 18.7245 91
cluster_8.pdb ( medoid) 12.1666 7.97264 24.9685 97
cluster_9.pdb ( medoid) 10.0051 5.99697 12.2965 60
cluster_10.pdb ( medoid) 7.67989 7.03135 22.5345 54