CABS-dock: 28a3a6889f56ced

Project name: 28a3a6889f56ced

Status: done

submitted: 2026-01-23 11:54:10, status changed: 2026-01-23 21:39:09

Project settings

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

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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)	24.5686	3.70392	9.75559	91
cluster_2.pdb ( medoid)	15.0417	4.7867	18.9329	72
cluster_3.pdb ( medoid)	14.6698	7.22573	35.9323	106
cluster_4.pdb ( medoid)	12.1682	12.9847	34.0224	158
cluster_5.pdb ( medoid)	11.332	6.44192	21.4969	73
cluster_6.pdb ( medoid)	11.172	17.9914	59.9013	201
cluster_7.pdb ( medoid)	4.41546	19.477	57.2222	86
cluster_8.pdb ( medoid)	3.06662	20.5438	49.0602	63
cluster_9.pdb ( medoid)	2.99776	20.015	41.7034	60
cluster_10.pdb ( medoid)	1.33998	24.6272	59.8842	33