CABS-dock: 537ee49e6f25523

Project name: 537ee49e6f25523

Status: done

submitted: 2026-01-23 11:46:58, status changed: 2026-01-23 21:28:58

Project settings

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

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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)	101.734	0.982959	2.07545	100
cluster_2.pdb ( medoid)	24.9835	3.96261	7.09016	99
cluster_3.pdb ( medoid)	20.0363	4.99094	15.1808	100
cluster_4.pdb ( medoid)	13.291	7.5239	27.4785	100
cluster_5.pdb ( medoid)	12.0303	6.89924	34.3418	83
cluster_6.pdb ( medoid)	11.4278	10.1507	29.2833	116
cluster_7.pdb ( medoid)	8.13966	11.7941	27.4576	96
cluster_8.pdb ( medoid)	3.16085	13.2876	24.3448	42
cluster_9.pdb ( medoid)	2.79034	7.88435	25.537	22
cluster_10.pdb ( medoid)	2.26272	18.5617	32.9114	42