Project name: CCL2-4dn4:M

Status: done

submitted: 2018-01-02 18:32:36, status changed: 2018-01-02 19:47:22

Project settings
Peptide sequence NQHTPR
Simulation mc cycles100
Peptide secondary structure CCCCCC
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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.
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) 50.977 2.21668 8.41553 113
cluster_2.pdb ( medoid) 45.7062 3.74129 18.194 171
cluster_3.pdb ( medoid) 26.1004 5.82366 25.2698 152
cluster_4.pdb ( medoid) 24.4654 3.71954 17.1408 91
cluster_5.pdb ( medoid) 22.1267 5.60409 21.7766 124
cluster_6.pdb ( medoid) 21.6824 5.16548 13.6934 112
cluster_7.pdb ( medoid) 14.2275 7.02862 17.9351 100
cluster_8.pdb ( medoid) 7.69632 7.666 29.6168 59
cluster_9.pdb ( medoid) 4.39895 10.457 25.52 46
cluster_10.pdb ( medoid) 3.48485 9.1826 25.0786 32

Laboratory of Theory of Biopolymers 2015