Project name: 3cvp bound default 3 runA NRASKL ss: CCCCCC

Status: done

submitted: 2015-02-23 11:19:20, status changed: 2015-03-13 11:28:50

Project settings
Protein sequence(s) TDYPFEANNPYMYHENPMEEGLSMLKLANLAEAALAFEAVCQAAPEREEAWRSLGLTQAENEKDGLAIIALNHARMLDPKDIAVHAALAVSHTNEHNANAALASLRAWLLSQPQYEQFFFAAPNEYRECRTLLHAALEMNPNDAQLHASLGVLYNLSNNYDSAAANLRRAVELRPDDAQLWNKLGATLANGNRPQEALDAYNRALDINPGYVRVMYNMAVSYSNMSQYDLAAKQLVRAIYMQVTRSMWDFFRMLLNVMNRPDLVELTYAQNVEPFAKEF input pdb
Peptide sequence NRASKL
Simulation mc cycles50
Peptide secondary structure CCCCCC
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
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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
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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) 92.0253 0.510729 1.01549 47
cluster_2.pdb ( medoid) 37.0625 6.98819 30.7887 259
cluster_3.pdb ( medoid) 26.408 5.41503 33.8569 143
cluster_4.pdb ( medoid) 15.5648 7.19574 30.9307 112
cluster_5.pdb ( medoid) 15.2117 4.53597 17.835 69
cluster_6.pdb ( medoid) 12.8224 8.8127 36.0452 113
cluster_7.pdb ( medoid) 9.13174 9.52721 28.9453 87
cluster_8.pdb ( medoid) 8.73839 6.75181 25.3282 59
cluster_9.pdb ( medoid) 6.93719 8.64904 28.1726 60
cluster_10.pdb ( medoid) 3.59345 14.1925 34.3178 51
Laboratory of Theory of Biopolymers 2015