CABS-dock: 93b9368fff4740c

Project name: 93b9368fff4740c

Status: done

submitted: 2026-01-16 17:47:46, status changed: 2026-01-17 03:52:50

Project settings

Protein sequence(s)	QIITIPPPPNTKPPPTNTNPPPTNTTPPPTNTTIPTNTITKAANITKPGCPKQCGNLTVPYPFGIGLRSGCAIEPNFEISCVTNATGSQTPLIGNIQVYDISDAEMRISSTLNRRCYSSTGVLLQDDPAWMNLGSSNPYSFSSLNRFIVVGCDEAAVIAGRDFANGCPTVCMSSSQVIEGRCMGAGCCQIPIPKGLKYFNTSMQSSKLNHTAVWSFNRCGYAFLGEASKFEFKGLQDLGDLNFVEKIMDNVPIVVDWAIGNLSCVEAQKRSDYACLKNSRCVDSDTGLGGYRCNCNSGYQGNPYIGPGCQDVDECADPNANSCEQICINTPGSYNCSCPEGYTGDGRKNGRGCNAPSSNSEFPWIK 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

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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)	40.0612	2.52114	6.13449	101
cluster_2.pdb ( medoid)	23.247	4.55974	14.5498	106
cluster_3.pdb ( medoid)	22.9135	5.32438	24.0344	122
cluster_4.pdb ( medoid)	11.3596	7.74675	21.5141	88
cluster_5.pdb ( medoid)	11.3526	4.49235	9.08116	51
cluster_6.pdb ( medoid)	10.6476	7.41953	30.0339	79
cluster_7.pdb ( medoid)	10.4224	9.49875	19.1782	99
cluster_8.pdb ( medoid)	9.77376	9.20833	19.4517	90
cluster_9.pdb ( medoid)	9.40496	13.9288	37.8776	131
cluster_10.pdb ( medoid)	2.99303	11.0256	26.4541	33