CABS-dock: 1a18ed1d7b80089

Project name: 1a18ed1d7b80089

Status: done

submitted: 2026-01-23 11:59:34, status changed: 2026-01-23 21:55:03

Project settings

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

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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)	27.5425	3.66706	40.4119	101
cluster_2.pdb ( medoid)	12.9039	9.60947	60.4715	124
cluster_3.pdb ( medoid)	11.1739	14.3191	44.121	160
cluster_4.pdb ( medoid)	9.14784	8.30797	16.8178	76
cluster_5.pdb ( medoid)	6.86308	15.445	48.2545	106
cluster_6.pdb ( medoid)	6.81965	14.6635	45.053	100
cluster_7.pdb ( medoid)	6.54543	11.6112	40.6946	76
cluster_8.pdb ( medoid)	4.39037	16.1717	61.5223	71
cluster_9.pdb ( medoid)	4.17395	21.5623	60.8761	90
cluster_10.pdb ( medoid)	2.16626	30.9289	66.8101	67