Project name: 1nq7 bound default A HKILHRLLQE ss: CHHHHHHHHC

Status: done

submitted: 2015-02-19 18:28:16, status changed: 2015-03-13 11:08:47

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 3Dmol (WebGL)
Models are ranked and numbered according to their occurrence in docking trajectory (1 = most probable result).
Representative conformations
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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
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) 99.6347 1.00367 3.13428 100
cluster_2.pdb ( medoid) 54.6402 2.04977 10.8659 112
cluster_3.pdb ( medoid) 35.1176 2.13568 12.0913 75
cluster_4.pdb ( medoid) 18.5275 5.55931 27.0858 103
cluster_5.pdb ( medoid) 15.9845 8.88362 25.0631 142
cluster_6.pdb ( medoid) 13.813 8.75986 21.2014 121
cluster_7.pdb ( medoid) 12.1504 9.46474 22.1217 115
cluster_8.pdb ( medoid) 10.8225 9.14762 29.8434 99
cluster_9.pdb ( medoid) 9.06021 13.5758 28.4525 123
cluster_10.pdb ( medoid) 1.34766 7.42025 13.4528 10
Laboratory of Theory of Biopolymers 2015