Project name: 1nq7 bound default 3 runA HKILHRLLQE ss: CHHHHHHHHC

Status: done

submitted: 2015-02-23 11:19:03, status changed: 2015-03-13 11:03:42

Project settings
Protein sequence(s) TMSEIDRIAQNIIKSHLETCQYTMEELHQLAWQTHTYEEIKAYQSKSREALWQQCAIQITHAIQYVVEFAKRITGFMELCQNDQILLLKSGCLEVVLVRMCRAFNPLNNTVLFEGKYGGMQMFKALGSDDLVNEAFDFAKNLCSLQLTEEEIALFSSAVLISPDRAWLLEPRKVQKLQEKIYFALQHVIQKNHLDDETLAKLIAKIPTITAVCNLHGEKLQVFKQSHPDIVNTLFPPLYKELFN input pdb
Peptide sequence HKILHRLLQE
Simulation mc cycles50
Peptide secondary structure CHHHHHHHHC
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_6 Download
model_7 Download
model_8 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_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) 51.1187 1.1933 16.7145 61
cluster_2.pdb ( medoid) 34.2752 2.91757 24.9205 100
cluster_3.pdb ( medoid) 21.4572 2.51663 7.4082 54
cluster_4.pdb ( medoid) 19.3959 9.38342 29.0792 182
cluster_5.pdb ( medoid) 17.3817 5.81072 19.3186 101
cluster_6.pdb ( medoid) 17.3091 11.4968 29.7903 199
cluster_7.pdb ( medoid) 15.9986 6.31306 27.0783 101
cluster_8.pdb ( medoid) 8.8342 12.678 43.9293 112
cluster_9.pdb ( medoid) 8.17994 6.96827 23.9507 57
cluster_10.pdb ( medoid) 2.21986 14.8658 33.0999 33
Laboratory of Theory of Biopolymers 2015