CABS-dock: 67c72937073fd6a

Project name: 67c72937073fd6a

Status: done

submitted: 2026-01-23 11:55:48, status changed: 2026-01-23 22:08:52

Project settings

Protein sequence(s)	ITKAANITKPGCPKQCGNVTVPYPFGIGSGCALDPMFEIDCNVTTPFIGNIQIYDISDAEMRISNFINTKCYSQTGVLIQDIPSWITLGTKSPYTFSTLNRFIVVGCDDGAIVSGNNFANGCPSLCTSTNDIVKGKCMGFGCCQITIPKGLKFFNTTMVTTRNHSLIWSFNPCGHSFLGEASRFEFQGIEDLSDVNFANKIRNNVPIVLDWAIGNLSCVEARKSNDYACLNNSQCVDSDTSLGGYRCSCNSGYIGNPYIGSGCQDIDECADPNTNSCEKICTNIPGSYNCSCPEGYTGDGRKNGRGCIAPN 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

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)	29.0243	3.89329	13.2218	113
cluster_2.pdb ( medoid)	20.6092	6.35638	20.5713	131
cluster_3.pdb ( medoid)	14.59	7.47086	21.5759	109
cluster_4.pdb ( medoid)	10.2979	6.60331	13.5294	68
cluster_5.pdb ( medoid)	7.34339	9.3962	18.3314	69
cluster_6.pdb ( medoid)	6.974	12.0447	44.7357	84
cluster_7.pdb ( medoid)	6.686	6.13222	13.7078	41
cluster_8.pdb ( medoid)	6.33672	5.83898	48.927	37
cluster_9.pdb ( medoid)	5.04602	8.32339	18.7987	42
cluster_10.pdb ( medoid)	2.80005	5.71417	9.99524	16