CABS-dock: 2b5e644ae3463f8

Project name: 2b5e644ae3463f8

Status: done

submitted: 2026-01-23 12:02:02, status changed: 2026-01-23 18:14:59

Project settings

Protein sequence(s)	ITKAANITKPGCPKQCGNVTVPYPFGIGSGCALDPMFEIDCNVTTPFIGNIQIYDISDAEMRISNFINTKCYSQTGVLIQDIPSWITLGTKSPYTFSTLNRFIVVGCDDGAIVSGNNFANGCPSLCTSTNDIVKGKCMGFGCCQITIPKGLKFFNTTMVTTRNHSLIWSFNPCGHSFLGEASRFEFQGIEDLSDVNFANKIRNNVPIVLDWAIGNLSCVEARKSNDYACLNNSQCVDSDTSLGGYRCSCNSGYIGNPYIGSGCQDIDECADPNTNSCEKICTNIPGSYNCSCPEGYTGDGRKNGRGCIAPN input pdb
Peptide sequence	ATLKNVNLGENEVDGIHVKAKNAQE
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCEEEEECCCCCC

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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)	44.6285	2.24072	6.41571	100
cluster_2.pdb ( medoid)	27.9083	3.94148	26.472	110
cluster_3.pdb ( medoid)	17.0538	6.03969	15.0196	103
cluster_4.pdb ( medoid)	15.3689	4.55465	17.1707	70
cluster_5.pdb ( medoid)	9.5389	7.54804	21.245	72
cluster_6.pdb ( medoid)	8.02363	8.35034	21.3303	67
cluster_7.pdb ( medoid)	7.32417	11.3323	21.1093	83
cluster_8.pdb ( medoid)	3.81017	9.9733	20.4154	38
cluster_9.pdb ( medoid)	3.80231	8.15293	19.6462	31
cluster_10.pdb ( medoid)	1.2894	20.1644	37.2698	26