Project name: 3EKK unbound default 2 run A YNPYPEDYGDIEIG ss: CCCCHHHCCCCCCC

Status: done

submitted: 2015-02-25 18:46:59, status changed: 2015-03-13 11:15:03

Project settings
Protein sequence(s) PSSVYVPDEWEVSREKITLLRELGQGSFGMVYEGNARDIIKGEAETRVAVKTVNESASLRERIEFLNEASVMKGFTCHHVVRLLGVVSKGQPTLVVMELMAHGDLKSYLRSLRPEAENNPGRPPPTLQEMIQMAAEIADGMAYLNAKKFVHRNLAARNCMVAHDFTVKIGDFLLPVRWMAPESLKDGVFTTSSDMWSFGVVLWEITSLAEQPYQGLSNEQVLKFVMDGGYLDQPDNCPERVTDLMRMCWQFNPNMRPTFLEIVNLLKDDLHPSFPEVSFFHSEEN input pdb
Peptide sequence YNPYPEDYGDIEIG
Simulation mc cycles50
Peptide secondary structure CCCCHHHCCCCCCC
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
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Click the "View" button to load the contact map of appropriate model.
Representative conformations
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model_10 View

Receptor residuePeptide residue
Receptor residuePeptide residue
Receptor residuePeptide residue
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Trajectories
replica_1 Download
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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) 44.0997 2.33562 15.125 103
cluster_2.pdb ( medoid) 39.2555 2.59836 19.6857 102
cluster_3.pdb ( medoid) 20.2952 4.73019 19.766 96
cluster_4.pdb ( medoid) 19.3593 10.2793 21.5622 199
cluster_5.pdb ( medoid) 18.4141 6.62535 23.426 122
cluster_6.pdb ( medoid) 14.1047 9.7131 23.4764 137
cluster_7.pdb ( medoid) 9.77519 10.4346 24.1863 102
cluster_8.pdb ( medoid) 8.46019 7.21024 17.7639 61
cluster_9.pdb ( medoid) 5.5537 10.4435 23.7258 58
cluster_10.pdb ( medoid) 3.22513 6.20131 18.7726 20
Laboratory of Theory of Biopolymers 2015