CABS-dock: fbaa2d180f57185

Project name: fbaa2d180f57185

Status: done

submitted: 2026-01-23 11:53:51, status changed: 2026-01-23 21:38:52

Project settings

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

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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)	19.3999	3.45363	14.7239	67
cluster_2.pdb ( medoid)	14.8324	8.832	34.0649	131
cluster_3.pdb ( medoid)	14.0098	10.4926	20.5117	147
cluster_4.pdb ( medoid)	13.023	11.5181	31.5747	150
cluster_5.pdb ( medoid)	10.3618	10.3264	33.4339	107
cluster_6.pdb ( medoid)	8.50116	11.7631	31.0671	100
cluster_7.pdb ( medoid)	6.7056	8.79862	23.4937	59
cluster_8.pdb ( medoid)	6.47898	8.48899	23.4822	55
cluster_9.pdb ( medoid)	4.88589	10.4382	20.8758	51
cluster_10.pdb ( medoid)	3.94376	8.36765	17.4329	33