Project name: 3bu3 bound default 3 runA YNPYPEDYGDIEIG ss: CCCCHHHCEEEEEC

Status: done

submitted: 2015-02-23 11:19:20, status changed: 2015-03-13 11:21:58

Project settings
Protein sequence(s) DEWEVSREKITLLRELGQGSFGMVYEGNARDIIKGEAETRVAVKTVNESASLRERIEFLNEASVMKGFTCHHVVRLLGVVSKGQPTLVVMELMAHGDLKSYLRSLRPEAENNPGRPPPTLQEMIQMAAEIADGMAYLNAKKFVHRDLAARNCMVAHDFTVKIGDFGMTRDIYETDYYRKGGKGLLPVRWMAPESLKDGVFTTSSDMWSFGVVLWEITSLAEQPYQGLSNEQVLKFVMDGGYLDQPDNCPERVTDLMRMCWQFNPNMRPTFLEIVNLLKDDLHPSFPEVSFFHSEENK input pdb
Peptide sequence YNPYPEDYGDIEIG
Simulation mc cycles50
Peptide secondary structure CCCCHHHCEEEEEC
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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Representative conformations
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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) 44.6894 2.43906 25.6348 109
cluster_2.pdb ( medoid) 35.3167 3.11468 14.7818 110
cluster_3.pdb ( medoid) 27.8667 4.5933 10.9569 128
cluster_4.pdb ( medoid) 22.4014 7.18706 28.2661 161
cluster_5.pdb ( medoid) 16.4673 6.43699 23.4005 106
cluster_6.pdb ( medoid) 12.9048 5.81179 16.4314 75
cluster_7.pdb ( medoid) 8.52215 7.62718 14.6187 65
cluster_8.pdb ( medoid) 7.4821 11.0931 20.2855 83
cluster_9.pdb ( medoid) 7.21168 9.84514 24.1071 71
cluster_10.pdb ( medoid) 6.8593 13.4124 26.2394 92
Laboratory of Theory of Biopolymers 2015