CABS-dock: 2e49555595f2ba9

Project name: 2e49555595f2ba9

Status: done

submitted: 2026-01-23 11:47:29, status changed: 2026-01-23 21:31:27

Project settings

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

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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)	26.9417	3.82307	33.9777	103
cluster_2.pdb ( medoid)	24.8459	4.30654	36.607	107
cluster_3.pdb ( medoid)	17.6186	6.47044	19.0073	114
cluster_4.pdb ( medoid)	13.1884	7.96157	35.6528	105
cluster_5.pdb ( medoid)	11.9814	8.42972	36.0566	101
cluster_6.pdb ( medoid)	7.01574	9.54995	37.1598	67
cluster_7.pdb ( medoid)	6.43318	10.7256	27.8466	69
cluster_8.pdb ( medoid)	4.85937	13.1704	28.0142	64
cluster_9.pdb ( medoid)	3.65378	10.9476	36.7558	40
cluster_10.pdb ( medoid)	3.48324	8.61268	32.6826	30