Project name: 6b5m_npdp_exp

Status: done

submitted: 2018-10-10 15:01:32, status changed: 2018-10-11 00:44:30

Project settings
Protein sequence(s) VQLVQSGAEVKKPGASVKVSCKASGYTFTSYAIHWVRQAPGQRLEWMGWIKAGNGNTRYSQKFQDRVTITRDTSTTTAYMELSSLRSEDTAVYYCALLTVLTPDDAFDIWGQGTMVTVSSDIVMTQSPDSLAVSLGERATINCKSSQSVLYSSNNKNYLAWYQQKPGQPPNLLIYWASTRQSGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCHQYYSSPLTFGGGTKVEIK input pdb
Peptide sequence NPDPNANPNVDPNANP
Simulation mc cycles100
Peptide secondary structure psipred CCCCCCCCCCCCCCCC
Flexible regions
103:L - 95:L 108:H - 96:H
Unlikely to bind regions
106:L - 113:L 57:L - 94:L 41:L - 51:L 1:L - 26:L 109:H - 120:H
58:H - 93:H 36:H - 44:H 1:H - 27:H
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
 

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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) 43.8153 2.14537 8.11053 94
cluster_2.pdb ( medoid) 35.5323 3.43349 18.5227 122
cluster_3.pdb ( medoid) 35.3838 4.63488 12.7405 164
cluster_4.pdb ( medoid) 20.5854 6.60662 14.5083 136
cluster_5.pdb ( medoid) 16.2494 6.58488 14.5941 107
cluster_6.pdb ( medoid) 14.3558 6.82653 13.3444 98
cluster_7.pdb ( medoid) 10.9295 8.1431 16.0515 89
cluster_8.pdb ( medoid) 9.55689 8.16165 14.4775 78
cluster_9.pdb ( medoid) 6.96182 9.04936 19.4048 63
cluster_10.pdb ( medoid) 6.46923 7.57432 14.9372 49

 
Laboratory of Theory of Biopolymers 2015