CABS-dock: primed p6

Project name: primed p6

Status: done

submitted: 2025-05-09 14:36:06, status changed: 2025-05-09 19:38:53

Project settings

Protein sequence(s)	TPIATFVSGSPSLNTYNATTVNSSANAFSCAYYLQQWNIQGLLVTSLYLKLDSATMGNRPGDLNSANAKWFTFWVSAYLQQCNPSGIQAGTVSPSTATLTDFEPMANRSVTSPWTYSANGYYEPSIGEFQVFSPVVTGAWNPGNIGIRVLPVPVSASGERYTLLCYSLQCTNASIFNPNNSGTMIVGPVLYSCPAASLP input pdb
Peptide sequence	QWKIHR
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCC

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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 3Dmol (WebGL)

Models are ranked and numbered according to their occurrence in docking trajectory (1 = most probable result).

Representative conformations

	model_1		Download
	model_2		Download
	model_3		Download
	model_4		Download
	model_5		Download
	model_6		Download
	model_7		Download
	model_8		Download
	model_9		Download
	model_10		Download

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Click the "View" button to load the contact map of appropriate model.

Representative conformations

Contact cutoff (Å)

	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 residue	Peptide residue

Receptor residue	Peptide residue

Receptor residue	Peptide 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
	replica_5		Download
	replica_6		Download
	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 name	cluster density	average rmsd	max rmsd	number of elements
cluster_1.pdb ( medoid)	61.7973	4.27203	21.8029	264
cluster_2.pdb ( medoid)	46.1652	3.16256	21.0547	146
cluster_3.pdb ( medoid)	19.005	5.57748	18.3268	106
cluster_4.pdb ( medoid)	17.3724	6.9075	28.4154	120
cluster_5.pdb ( medoid)	14.8782	4.23437	10.5471	63
cluster_6.pdb ( medoid)	11.4047	8.15454	27.4821	93
cluster_7.pdb ( medoid)	11.2383	6.22873	14.3421	70
cluster_8.pdb ( medoid)	7.24838	8.27771	22.0689	60
cluster_9.pdb ( medoid)	6.9769	9.0298	21.9463	63
cluster_10.pdb ( medoid)	1.24316	12.066	21.1366	15