Project name: 1PYW unbound default AB GELIGTLNAAKVPAD ss: CCCCCCCCCCCCCCC

Status: done

submitted: 2015-02-20 17:44:35, status changed: 2015-03-13 11:04:52

Project settings
Protein sequence(s) EHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFDAGDTRPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQRRAAVDTYCRHNYGVGESFTVQRRVEPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRA input pdb
Peptide sequence GELIGTLNAAKVPAD
Simulation mc cycles50
Peptide secondary structure CCCCCCCCCCCCCCC
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
model_1 View
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model_4 View
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model_7 View
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model_10 View

Receptor residuePeptide residue
Receptor residuePeptide residue
Receptor residuePeptide residue
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Trajectories
replica_1 Download
replica_2 Download
replica_3 Download
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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) 57.7779 3.06346 26.8247 177
cluster_2.pdb ( medoid) 33.6161 3.48047 6.23696 117
cluster_3.pdb ( medoid) 30.1704 2.18757 19.433 66
cluster_4.pdb ( medoid) 29.5423 6.93919 39.2314 205
cluster_5.pdb ( medoid) 26.4041 1.32555 3.8857 35
cluster_6.pdb ( medoid) 23.256 1.97799 6.34392 46
cluster_7.pdb ( medoid) 20.1477 3.07727 7.6676 62
cluster_8.pdb ( medoid) 9.37942 13.5403 47.1783 127
cluster_9.pdb ( medoid) 6.21421 19.6324 55.3859 122
cluster_10.pdb ( medoid) 2.69953 15.9287 40.2133 43
Laboratory of Theory of Biopolymers 2015