CABS-dock: a619e8bfe3d64d0

Project name: a619e8bfe3d64d0

Status: done

submitted: 2026-01-23 12:04:16, status changed: 2026-01-23 18:10:20

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 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)	81.8356	1.22196	2.02083	100
cluster_2.pdb ( medoid)	15.6844	6.63078	50.4105	104
cluster_3.pdb ( medoid)	13.3241	8.85612	40.2679	118
cluster_4.pdb ( medoid)	8.42649	16.4956	52.5988	139
cluster_5.pdb ( medoid)	7.6089	11.8282	26.5042	90
cluster_6.pdb ( medoid)	6.27748	9.39868	31.4703	59
cluster_7.pdb ( medoid)	5.72485	13.6248	43.6295	78
cluster_8.pdb ( medoid)	5.67014	11.9927	44.5212	68
cluster_9.pdb ( medoid)	4.05111	14.3171	30.2064	58
cluster_10.pdb ( medoid)	3.56498	13.4643	29.4451	48