Project name: 1ntv bound default 3 runA NFDNPVYRKT ss: CEECCCCCCC

Status: done

submitted: 2015-02-23 11:19:03, status changed: 2015-03-13 10:59:02

Project settings
Protein sequence(s) GQDRSEATLIKRFKGEGVRYKAKLIGIDEVSAARGDKLCQDSMMKLKGVVAGARSKGEHKQKIFLTISFGGIKIFDEKTGALQHHHAVHEISYIAKDITDHRAFGYVCGKEGNHRFVAIKTAQAAEPVILDLRDLFQLIYELKQREELEKKA input pdb
Peptide sequence NFDNPVYRKT
Simulation mc cycles50
Peptide secondary structure CEECCCCCCC
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
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
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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) 34.6514 2.77045 12.0867 96
cluster_2.pdb ( medoid) 34.5117 6.6644 29.6551 230
cluster_3.pdb ( medoid) 32.2826 2.41616 5.79818 78
cluster_4.pdb ( medoid) 26.5113 2.97986 12.4579 79
cluster_5.pdb ( medoid) 20.6163 2.91032 9.3415 60
cluster_6.pdb ( medoid) 14.5441 10.726 30.5108 156
cluster_7.pdb ( medoid) 13.8321 5.56677 20.6004 77
cluster_8.pdb ( medoid) 12.2095 3.27612 9.65395 40
cluster_9.pdb ( medoid) 8.56189 11.7965 31.7663 101
cluster_10.pdb ( medoid) 7.06209 11.7529 31.8624 83
Laboratory of Theory of Biopolymers 2015