CABS-dock: 52aa61786b100c0

Project name: 52aa61786b100c0

Status: done

submitted: 2026-01-14 16:46:58, status changed: 2026-01-15 04:16:46

Project settings

Protein sequence(s)	QIIPSNTTSPPTNSTSPPTNATAPAPSPTNTITKAANITKPGCPKQCGNVTVPYPFGIGSGCALDPMFEIDCNVTTPFIGNIQIYDISDAEMRISNFINTKCYSQTGVLIQDIPSWITLGTKSPYTFSTLNRFIVVGCDDGAIVSGNNFANGCPSLCTSTNDIVKGKCMGFGCCQITIPKGLKFFNTTMVTTRNHSLIWSFNPCGHSFLGEASRFEFQGIEDLSDVNFANKIRNNVPIVLDWAIGNLSCVEARKSNDYACLNNSQCVDSDTSLGGYRCSCNSGYIGNPYIGSGCQDIDECADPNTNSCEKICTNIPGSYNCSCPEGYTGDGRKNGRGCIAPNSNSEFPWIK input pdb
Peptide sequence	KDVSFGQPDNTVQNPTDSSAATDPQ
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 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)	40.7533	2.5274	16.7819	103
cluster_2.pdb ( medoid)	20.2807	5.96628	24.1019	121
cluster_3.pdb ( medoid)	13.7108	11.1591	26.0563	153
cluster_4.pdb ( medoid)	12.9501	7.33583	26.6173	95
cluster_5.pdb ( medoid)	12.1949	3.69006	5.94481	45
cluster_6.pdb ( medoid)	11.0328	9.51706	27.5716	105
cluster_7.pdb ( medoid)	8.6105	11.846	32.3251	102
cluster_8.pdb ( medoid)	6.13242	10.5994	21.2109	65
cluster_9.pdb ( medoid)	5.43019	11.0493	23.0625	60
cluster_10.pdb ( medoid)	3.44508	14.8037	32.5495	51