Project name: 2H3L unbound default 3 run A EYLGLDVPV ss: CCCCCCCCC

Status: done

submitted: 2015-02-25 18:47:31, status changed: 2015-03-13 11:07:30

Project settings
Protein sequence(s) GSHMGHELAKQEIRVRVEKDPELGFSISGGVGGRGNPFRPDDDGIFVTRVQPEGPASKLLQPGDKIIQANGYSFINIEHGQAVSLLKTFQNTVELIIVREVSS input pdb
Peptide sequence EYLGLDVPV
Simulation mc cycles50
Peptide secondary structure CCCCCCCCC
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) 31.1533 3.94822 34.6831 123
cluster_2.pdb ( medoid) 25.9841 8.50521 23.4318 221
cluster_3.pdb ( medoid) 17.9012 4.41311 15.77 79
cluster_4.pdb ( medoid) 14.2233 8.92904 20.6781 127
cluster_5.pdb ( medoid) 13.9389 8.39379 31.4154 117
cluster_6.pdb ( medoid) 12.5713 8.27281 21.0224 104
cluster_7.pdb ( medoid) 11.0713 8.03881 27.1471 89
cluster_8.pdb ( medoid) 8.74401 3.65965 12.8092 32
cluster_9.pdb ( medoid) 8.52261 7.62677 24.7999 65
cluster_10.pdb ( medoid) 4.01781 10.7024 31.4802 43
Laboratory of Theory of Biopolymers 2015