CABS-dock: 576e467a6a42373

Project name: 576e467a6a42373

Status: done

submitted: 2026-01-23 12:04:32, status changed: 2026-01-23 18:13:38

Project settings

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

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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

Download all files

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)	25.9103	4.66996	27.1575	121
cluster_2.pdb ( medoid)	24.2966	5.02129	23.9391	122
cluster_3.pdb ( medoid)	14.8737	5.84924	14.9843	87
cluster_4.pdb ( medoid)	14.3335	7.18596	26.7179	103
cluster_5.pdb ( medoid)	13.0953	9.08726	21.7668	119
cluster_6.pdb ( medoid)	7.8923	14.191	24.8573	112
cluster_7.pdb ( medoid)	7.84639	10.9605	30.7034	86
cluster_8.pdb ( medoid)	7.00684	7.56404	14.8718	53
cluster_9.pdb ( medoid)	6.30865	11.0959	24.5078	70
cluster_10.pdb ( medoid)	2.71824	9.93289	27.2495	27