Project name: 2bba bound default 2 runA NYLFSPNGPIARAW ss: CCCCCCCCCCHHHC

Status: done

submitted: 2015-02-23 11:18:37, status changed: 2015-03-13 11:06:12

Project settings
Protein sequence(s) HHHHHEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVCDVQRAPGQAHWLRTGWVPRRGAVHVYATLRFTMLECLSLPRAGRSCKETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGACMALLSLHLFYKK input pdb
Peptide sequence NYLFSPNGPIARAW
Simulation mc cycles50
Peptide secondary structure CCCCCCCCCCHHHC
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
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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) 37.5704 3.30047 13.7158 124
cluster_2.pdb ( medoid) 23.2904 5.53876 24.7702 129
cluster_3.pdb ( medoid) 21.3998 6.35519 25.3694 136
cluster_4.pdb ( medoid) 19.7471 6.07683 20.6409 120
cluster_5.pdb ( medoid) 17.5397 5.58731 28.6825 98
cluster_6.pdb ( medoid) 13.4877 6.67275 20.8208 90
cluster_7.pdb ( medoid) 12.5651 8.75438 20.3638 110
cluster_8.pdb ( medoid) 10.3138 11.6349 29.3264 120
cluster_9.pdb ( medoid) 6.90023 4.4926 8.12068 31
cluster_10.pdb ( medoid) 6.02579 6.97004 13.5057 42
Laboratory of Theory of Biopolymers 2015