CABS-dock: 514521a9d61dfb

Project name: 514521a9d61dfb

Status: done

submitted: 2026-01-12 16:26:15, status changed: 2026-01-13 05:32:38

Project settings

Protein sequence(s)	QIIPSNTTSPPTNSTSPPTNATAPAPSPTNTITKAANITKPGCPKQCGNVTVPYPFGIGSGCALDPMFEIDCNVTTPFIGNIQIYDISDAEMRISNFINTKCYSQTGVLIQDIPSWITLGTKSPYTFSTLNRFIVVGCDDGAIVSGNNFANGCPSLCTSTNDIVKGKCMGFGCCQITIPKGLKFFNTTMVTTRNHSLIWSFNPCGHSFLGEASRFEFQGIEDLSDVNFANKIRNNVPIVLDWAIGNLSCVEARKSNDYACLNNSQCVDSDTSLGGYRCSCNSGYIGNPYIGSGCQDIDECADPNTNSCEKICTNIPGSYNCSCPEGYTGDGRKNGRGCIAPNSNSEFPWIK input pdb
Peptide sequence	NPQDASKPNDSQSNIAKLISALIMS
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCHHHHHHHHHHHHHHC

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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
	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)	31.0764	3.86145	20.7526	120
cluster_2.pdb ( medoid)	26.6596	4.12609	20.4611	110
cluster_3.pdb ( medoid)	24.2876	4.11734	14.0013	100
cluster_4.pdb ( medoid)	18.6283	3.59668	6.15634	67
cluster_5.pdb ( medoid)	12.5478	8.12889	20.7116	102
cluster_6.pdb ( medoid)	10.63	12.794	25.861	136
cluster_7.pdb ( medoid)	7.73511	4.26626	9.11049	33
cluster_8.pdb ( medoid)	7.03312	8.81543	29.1492	62
cluster_9.pdb ( medoid)	4.3077	10.6785	26.0082	46
cluster_10.pdb ( medoid)	2.2109	10.8553	18.8619	24