Project name: 2RTM unbound default 3 run A HPQFEK ss: CHHHCC

Status: done

submitted: 2015-02-25 18:47:31, status changed: 2015-03-13 10:55:58

Project settings
Protein sequence(s) AEAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKP input pdb
Peptide sequence HPQFEK
Simulation mc cycles50
Peptide secondary structure CHHHCC
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_4 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
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) 82.4461 2.92312 17.6626 241
cluster_2.pdb ( medoid) 65.9354 1.92613 18.4654 127
cluster_3.pdb ( medoid) 44.8432 2.78749 8.55685 125
cluster_4.pdb ( medoid) 28.7612 1.94707 5.2525 56
cluster_5.pdb ( medoid) 16.635 2.88548 24.1403 48
cluster_6.pdb ( medoid) 15.5923 6.60581 23.4764 103
cluster_7.pdb ( medoid) 15.4 3.96103 7.97423 61
cluster_8.pdb ( medoid) 12.5637 5.17365 20.8256 65
cluster_9.pdb ( medoid) 9.42551 12.8375 28.349 121
cluster_10.pdb ( medoid) 3.39049 15.6319 46.0754 53
Laboratory of Theory of Biopolymers 2015