CABS-dock: 49066a6c8335e9d

Project name: 49066a6c8335e9d

Status: done

submitted: 2026-01-23 11:46:39, status changed: 2026-01-23 21:30:08

Project settings

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

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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)	22.9089	2.31351	14.4284	53
cluster_2.pdb ( medoid)	14.924	5.82955	13.0285	87
cluster_3.pdb ( medoid)	13.819	6.80222	17.2231	94
cluster_4.pdb ( medoid)	11.3023	10.4404	34.9127	118
cluster_5.pdb ( medoid)	11.166	5.46304	9.52616	61
cluster_6.pdb ( medoid)	10.6509	13.52	53.636	144
cluster_7.pdb ( medoid)	9.28212	15.406	59.8926	143
cluster_8.pdb ( medoid)	7.42579	9.56128	27.7089	71
cluster_9.pdb ( medoid)	3.85596	19.9691	64.0647	77
cluster_10.pdb ( medoid)	2.55778	20.3301	52.8968	52