CABS-dock: dfb87208fa82e24

Project name: dfb87208fa82e24

Status: done

submitted: 2026-01-23 12:02:19, status changed: 2026-01-23 18:09:31

Project settings

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

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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)	16.9351	6.37727	40.3674	108
cluster_2.pdb ( medoid)	13.0838	11.1588	27.047	146
cluster_3.pdb ( medoid)	12.9443	8.57521	41.4158	111
cluster_4.pdb ( medoid)	11.9927	4.25258	11.3406	51
cluster_5.pdb ( medoid)	10.2993	12.1368	46.7001	125
cluster_6.pdb ( medoid)	7.38245	8.53375	24.9907	63
cluster_7.pdb ( medoid)	6.22765	8.99216	34.3065	56
cluster_8.pdb ( medoid)	4.47323	18.7784	49.7097	84
cluster_9.pdb ( medoid)	3.77496	12.1856	26.5118	46
cluster_10.pdb ( medoid)	0.450817	22.1819	38.3884	10