CABS-dock: 65ac9af74515b8f

Project name: 65ac9af74515b8f

Status: done

submitted: 2026-01-23 11:57:27, status changed: 2026-01-23 21:43:17

Project settings

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

Re-submit project

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

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)	32.9071	1.97526	9.62532	65
cluster_2.pdb ( medoid)	26.3227	7.82594	41.8832	206
cluster_3.pdb ( medoid)	19.5268	5.47965	19.3676	107
cluster_4.pdb ( medoid)	18.1119	7.84014	20.3536	142
cluster_5.pdb ( medoid)	16.4804	2.4878	13.2653	41
cluster_6.pdb ( medoid)	8.8828	14.2973	44.4618	127
cluster_7.pdb ( medoid)	5.0026	8.59553	17.3922	43
cluster_8.pdb ( medoid)	4.07919	16.9151	40.7024	69
cluster_9.pdb ( medoid)	3.98087	16.0769	29.4194	64
cluster_10.pdb ( medoid)	3.10027	15.16	33.8118	47