CABS-dock: 113eeb021102644

Project name: 113eeb021102644

Status: done

submitted: 2026-01-23 12:00:41, status changed: 2026-01-23 21:42:43

Project settings

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

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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)	19.5107	6.09922	37.7737	119
cluster_2.pdb ( medoid)	15.1944	7.23949	42.8079	110
cluster_3.pdb ( medoid)	12.4303	9.332	39.494	116
cluster_4.pdb ( medoid)	11.8716	9.68697	49.4849	115
cluster_5.pdb ( medoid)	7.45021	13.8251	40.8323	103
cluster_6.pdb ( medoid)	7.41871	11.4575	31.5366	85
cluster_7.pdb ( medoid)	7.38382	9.48018	38.0283	70
cluster_8.pdb ( medoid)	4.07395	15.4641	37.6972	63
cluster_9.pdb ( medoid)	3.02495	20.8268	46.8368	63
cluster_10.pdb ( medoid)	2.56133	25.7678	51.016	66