CABS-dock: 12178bfe85c4383

Project name: 12178bfe85c4383

Status: done

submitted: 2026-01-23 11:56:27, status changed: 2026-01-23 21:42:19

Project settings

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

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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)	38.2469	2.69303	17.4029	103
cluster_2.pdb ( medoid)	19.2346	7.64248	19.8362	147
cluster_3.pdb ( medoid)	18.6394	7.13542	28.4107	133
cluster_4.pdb ( medoid)	17.3677	3.62742	13.7059	63
cluster_5.pdb ( medoid)	12.7276	9.42836	27.217	120
cluster_6.pdb ( medoid)	10.8859	8.08384	28.4414	88
cluster_7.pdb ( medoid)	8.2623	11.1349	36.5326	92
cluster_8.pdb ( medoid)	2.98541	14.7383	28.4642	44
cluster_9.pdb ( medoid)	2.57598	12.8107	20.9087	33
cluster_10.pdb ( medoid)	2.16993	21.6597	39.258	47