Project name: 1kl3 bound default C HPQFEK ss: CHHHCC

Status: done

submitted: 2015-02-19 18:28:14, status changed: 2015-03-13 11:19:43

Project settings
Protein sequence(s) AGITGTWYNQLGSTFIVTAGADGALTGTYVTARGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVK 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
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) 123.741 0.8243 6.2751 102
cluster_2.pdb ( medoid) 111.801 1.33272 4.01102 149
cluster_3.pdb ( medoid) 63.3406 2.66812 20.8802 169
cluster_4.pdb ( medoid) 48.3269 2.81417 8.96772 136
cluster_5.pdb ( medoid) 33.5438 3.51778 9.64288 118
cluster_6.pdb ( medoid) 18.9499 5.32985 10.964 101
cluster_7.pdb ( medoid) 16.0974 5.094 21.8756 82
cluster_8.pdb ( medoid) 8.31058 5.0538 10.91 42
cluster_9.pdb ( medoid) 5.02815 11.7339 34.5627 59
cluster_10.pdb ( medoid) 3.18376 13.192 34.162 42
Laboratory of Theory of Biopolymers 2015