CABS-dock: 2a31cea1daa6a32

Project name: 2a31cea1daa6a32

Status: done

submitted: 2026-01-23 11:57:53, status changed: 2026-01-23 21:47:32

Project settings

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

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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)	28.2497	6.23015	16.0895	176
cluster_2.pdb ( medoid)	16.4677	6.1332	20.1694	101
cluster_3.pdb ( medoid)	14.4796	5.73222	10.675	83
cluster_4.pdb ( medoid)	13.9821	10.8711	24.7736	152
cluster_5.pdb ( medoid)	11.7516	5.70133	10.4484	67
cluster_6.pdb ( medoid)	10.365	8.00776	20.5147	83
cluster_7.pdb ( medoid)	10.1692	4.72012	13.2449	48
cluster_8.pdb ( medoid)	9.89856	10.8097	28.3402	107
cluster_9.pdb ( medoid)	4.6614	7.93753	18.3365	37
cluster_10.pdb ( medoid)	2.97368	15.469	29.8832	46