CABS-dock: 435b59db37dcd69

Project name: 435b59db37dcd69

Status: done

submitted: 2026-01-23 11:47:14, status changed: 2026-01-23 21:34:29

Project settings

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

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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)	64.4511	1.61363	12.43	104
cluster_2.pdb ( medoid)	21.3028	4.88199	15.3162	104
cluster_3.pdb ( medoid)	15.0248	7.18812	22.2631	108
cluster_4.pdb ( medoid)	11.608	7.83944	25.6741	91
cluster_5.pdb ( medoid)	10.1269	13.0346	29.7365	132
cluster_6.pdb ( medoid)	7.82696	10.3489	29.4572	81
cluster_7.pdb ( medoid)	6.40148	12.4971	26.8622	80
cluster_8.pdb ( medoid)	6.27576	16.8904	37.7447	106
cluster_9.pdb ( medoid)	5.49475	9.64558	20.7484	53
cluster_10.pdb ( medoid)	3.90851	10.4899	18.3751	41