CABS-dock: 322dc3ae4a6eea7

Project name: 322dc3ae4a6eea7

Status: done

submitted: 2026-01-23 11:59:14, status changed: 2026-01-23 21:45:35

Project settings

Protein sequence(s)	ITKAANITKPGCPKQCGNVTVPYPFGIGSGCALDPMFEIDCNVTTPFIGNIQIYDISDAEMRISNFINTKCYSQTGVLIQDIPSWITLGTKSPYTFSTLNRFIVVGCDDGAIVSGNNFANGCPSLCTSTNDIVKGKCMGFGCCQITIPKGLKFFNTTMVTTRNHSLIWSFNPCGHSFLGEASRFEFQGIEDLSDVNFANKIRNNVPIVLDWAIGNLSCVEARKSNDYACLNNSQCVDSDTSLGGYRCSCNSGYIGNPYIGSGCQDIDECADPNTNSCEKICTNIPGSYNCSCPEGYTGDGRKNGRGCIAPN input pdb
Peptide sequence	PTATGGGSGGTPTATGGGEGGVTPQ
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)	74.5833	1.34078	4.92561	100
cluster_2.pdb ( medoid)	19.6645	9.15357	29.3189	180
cluster_3.pdb ( medoid)	14.1127	6.44808	16.3816	91
cluster_4.pdb ( medoid)	11.7518	11.7429	50.4054	138
cluster_5.pdb ( medoid)	9.33199	10.9301	39.923	102
cluster_6.pdb ( medoid)	6.79635	10.2996	31.3044	70
cluster_7.pdb ( medoid)	3.65618	18.0516	30.5856	66
cluster_8.pdb ( medoid)	3.64163	12.6317	33.6509	46
cluster_9.pdb ( medoid)	2.59471	14.2598	33.5788	37
cluster_10.pdb ( medoid)	2.3983	24.6007	48.2593	59