CABS-dock: bd8dbef041846b4

Project name: bd8dbef041846b4

Status: done

submitted: 2026-01-23 11:47:47, status changed: 2026-01-23 21:29:53

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 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)	36.8159	2.82487	18.6766	104
cluster_2.pdb ( medoid)	30.3424	3.62529	17.1341	110
cluster_3.pdb ( medoid)	21.8044	4.72382	14.1109	103
cluster_4.pdb ( medoid)	15.3254	8.35217	31.46	128
cluster_5.pdb ( medoid)	12.6324	6.72874	26.5247	85
cluster_6.pdb ( medoid)	10.9488	8.58543	22.8208	94
cluster_7.pdb ( medoid)	8.71924	10.6661	27.1677	93
cluster_8.pdb ( medoid)	8.66425	7.04042	29.8335	61
cluster_9.pdb ( medoid)	6.11558	13.7354	31.7336	84
cluster_10.pdb ( medoid)	3.45282	11.0055	30.6368	38