Project name: 3d9t bound default B ATPFQE ss: CEEECC

Status: done

submitted: 2015-02-19 18:28:34, status changed: 2015-03-13 11:07:45

Project settings
Protein sequence(s) GSSISNLSMQTHAARMRTFMYWPSSVPVQPEQLASAGFYYVGRNDDVKCFCCDGGLRCWESGDDPWVEHAKWFPRCEFLIRMKGQEFVDEIQGRY input pdb
Peptide sequence ATPFQE
Simulation mc cycles50
Peptide secondary structure CEEECC
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
model_2 Download
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model_4 Download
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model_6 Download
model_7 Download
model_8 Download
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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) 32.2414 4.86951 27.8511 157
cluster_2.pdb ( medoid) 31.1624 5.29485 18.1919 165
cluster_3.pdb ( medoid) 25.2721 5.10445 18.9954 129
cluster_4.pdb ( medoid) 16.3862 6.22473 14.9472 102
cluster_5.pdb ( medoid) 15.852 4.92051 14.2935 78
cluster_6.pdb ( medoid) 15.5527 7.07272 21.7298 110
cluster_7.pdb ( medoid) 13.8312 5.63944 21.2332 78
cluster_8.pdb ( medoid) 9.34348 7.59888 25.1973 71
cluster_9.pdb ( medoid) 8.57606 6.52981 22.076 56
cluster_10.pdb ( medoid) 7.40155 7.29577 17.7434 54
Laboratory of Theory of Biopolymers 2015