CABS-dock: 5d229d595cc4ff4

Project name: 5d229d595cc4ff4

Status: done

submitted: 2026-01-23 12:04:53, status changed: 2026-01-23 18:12:09

Project settings

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

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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)	23.4702	6.00763	26.9305	141
cluster_2.pdb ( medoid)	20.522	5.36011	27.7823	110
cluster_3.pdb ( medoid)	16.6468	7.20861	37.1689	120
cluster_4.pdb ( medoid)	14.8287	5.73212	17.9413	85
cluster_5.pdb ( medoid)	14.2723	8.89835	32.8965	127
cluster_6.pdb ( medoid)	11.0229	5.53391	25.9904	61
cluster_7.pdb ( medoid)	9.22411	6.17946	10.6298	57
cluster_8.pdb ( medoid)	8.23684	5.34186	12.3951	44
cluster_9.pdb ( medoid)	4.66392	15.6521	32.3724	73
cluster_10.pdb ( medoid)	3.17372	25.8372	55.9926	82