CABS-dock: dbee8cd67d4979f

Project name: dbee8cd67d4979f

Status: done

submitted: 2026-01-23 11:46:22, status changed: 2026-01-23 21:34:08

Project settings

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

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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)	51.7344	1.97161	19.942	102
cluster_2.pdb ( medoid)	45.194	2.1463	4.91408	97
cluster_3.pdb ( medoid)	32.4837	3.4171	18.1692	111
cluster_4.pdb ( medoid)	17.3794	5.81149	14.1818	101
cluster_5.pdb ( medoid)	15.2881	6.08315	14.5229	93
cluster_6.pdb ( medoid)	13.4464	8.40372	28.2488	113
cluster_7.pdb ( medoid)	10.3262	9.78098	22.4981	101
cluster_8.pdb ( medoid)	8.02462	8.97239	23.5029	72
cluster_9.pdb ( medoid)	4.85526	9.06234	28.0187	44
cluster_10.pdb ( medoid)	4.25232	15.5209	27.1586	66