CABS-dock: f6a34e5fb477414

Project name: f6a34e5fb477414

Status: done

submitted: 2026-01-23 11:46:07, status changed: 2026-01-23 21:34:37

Project settings

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

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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 3Dmol (WebGL)

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

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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)	21.01	5.23559	23.253	110
cluster_2.pdb ( medoid)	14.2563	9.53966	49.0172	136
cluster_3.pdb ( medoid)	14.0093	6.13878	30.5669	86
cluster_4.pdb ( medoid)	13.2022	12.0434	47.0405	159
cluster_5.pdb ( medoid)	12.9905	8.77562	47.2261	114
cluster_6.pdb ( medoid)	12.1252	9.15448	35.4287	111
cluster_7.pdb ( medoid)	6.03723	17.2264	47.4632	104
cluster_8.pdb ( medoid)	3.89975	22.822	54.3354	89
cluster_9.pdb ( medoid)	2.16818	20.7548	47.0588	45
cluster_10.pdb ( medoid)	1.55983	27.5671	54.4588	43