CABS-dock: 3717465d9e6a906

Project name: 3717465d9e6a906

Status: done

submitted: 2026-01-16 17:48:05, status changed: 2026-01-17 03:42:03

Project settings

Protein sequence(s)	QIITIPPPPNTKPPPTNTNPPPTNTTPPPTNTTIPTNTITKAANITKPGCPKQCGNLTVPYPFGIGLRSGCAIEPNFEISCVTNATGSQTPLIGNIQVYDISDAEMRISSTLNRRCYSSTGVLLQDDPAWMNLGSSNPYSFSSLNRFIVVGCDEAAVIAGRDFANGCPTVCMSSSQVIEGRCMGAGCCQIPIPKGLKYFNTSMQSSKLNHTAVWSFNRCGYAFLGEASKFEFKGLQDLGDLNFVEKIMDNVPIVVDWAIGNLSCVEAQKRSDYACLKNSRCVDSDTGLGGYRCNCNSGYQGNPYIGPGCQDVDECADPNANSCEQICINTPGSYNCSCPEGYTGDGRKNGRGCNAPSSNSEFPWIK input pdb
Peptide sequence	TIDNVHAQNVGEDLITVKGEGGAAV
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCEEEECCCCCCC

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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

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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)	73.8439	1.36775	8.63625	101
cluster_2.pdb ( medoid)	32.5912	4.9093	20.566	160
cluster_3.pdb ( medoid)	19.2873	5.28846	26.0302	102
cluster_4.pdb ( medoid)	12.9431	9.4259	44.0511	122
cluster_5.pdb ( medoid)	12.1697	10.3536	50.8163	126
cluster_6.pdb ( medoid)	9.74669	9.7469	26.2033	95
cluster_7.pdb ( medoid)	6.90351	13.1817	39.6266	91
cluster_8.pdb ( medoid)	2.78448	15.4427	48.0714	43
cluster_9.pdb ( medoid)	1.93725	20.6478	49.8735	40
cluster_10.pdb ( medoid)	0.784376	25.498	44.516	20