CABS-dock: 8ad2e0683d98c4a

Project name: 8ad2e0683d98c4a

Status: done

submitted: 2026-01-23 11:58:31, status changed: 2026-01-23 21:45:40

Project settings

Protein sequence(s)	ITKAANITKPGCPKQCGNVTVPYPFGIGSGCALDPMFEIDCNVTTPFIGNIQIYDISDAEMRISNFINTKCYSQTGVLIQDIPSWITLGTKSPYTFSTLNRFIVVGCDDGAIVSGNNFANGCPSLCTSTNDIVKGKCMGFGCCQITIPKGLKFFNTTMVTTRNHSLIWSFNPCGHSFLGEASRFEFQGIEDLSDVNFANKIRNNVPIVLDWAIGNLSCVEARKSNDYACLNNSQCVDSDTSLGGYRCSCNSGYIGNPYIGSGCQDIDECADPNTNSCEKICTNIPGSYNCSCPEGYTGDGRKNGRGCIAPN input pdb
Peptide sequence	TPSATGGGGGDTPTATGGGGSGGGG
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)	22.3703	7.10763	21.8599	159
cluster_2.pdb ( medoid)	16.976	9.83743	45.9954	167
cluster_3.pdb ( medoid)	10.3046	12.3245	41.9469	127
cluster_4.pdb ( medoid)	5.57823	15.5964	47.4895	87
cluster_5.pdb ( medoid)	4.87389	20.1072	60.6991	98
cluster_6.pdb ( medoid)	3.89615	10.7799	29.4675	42
cluster_7.pdb ( medoid)	3.23389	19.7904	66.4536	64
cluster_8.pdb ( medoid)	2.99334	23.0512	57.4572	69
cluster_9.pdb ( medoid)	2.51717	21.4527	58.8932	54
cluster_10.pdb ( medoid)	1.46524	29.3468	56.5714	43