CABS-dock: kontrol2

Project name: kontrol2

Status: done

submitted: 2026-03-13 08:01:57, status changed: 2026-03-13 10:45:25

Project settings

Protein sequence(s)	GEVASVPLTNYLDSQYFGKIYLGTPPQEFTVLFDTGSSDFWVPSIYCKSNACKNHQRFDPRKSSTFQNLGKPLSIHYGTGSMQGILGYDTVTVSNIVDIQQTVGLSTQEPGDVFTYAEFDGILGMAYPSLASEYSIPVFDNMMNRHLVAQDLFSVYMDRNGQESMLTLGAINPSYYTGSLHWVPVTVQQYWQFTVDSVTISGVVVACEGGCQAILDTGTSKLVGPSSDILNIQQAIGATQNQYGEFDIDCDNLSYMPTVVFEINGKMYPLTPSAYTSQDQGFCTSGFQSENHSQKWILGDVFIREYYSVFDRANNLVGLAKAI input pdb
Peptide sequence	HRPHLHPSFTAIPAKK
Simulation mc cycles	10
Peptide secondary structure psipred	CCCCCCCCCCCCCCCC

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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)	94.3341	1.07066	21.2065	101
cluster_2.pdb ( medoid)	47.4555	2.10724	3.94209	100
cluster_3.pdb ( medoid)	28.0661	4.16873	12.7571	117
cluster_4.pdb ( medoid)	14.0129	7.9213	22.6835	111
cluster_5.pdb ( medoid)	10.7284	13.9816	48.8532	150
cluster_6.pdb ( medoid)	9.20655	14.6635	46.0516	135
cluster_7.pdb ( medoid)	7.45139	12.4809	26.5218	93
cluster_8.pdb ( medoid)	6.24011	12.66	29.1396	79
cluster_9.pdb ( medoid)	3.64242	16.198	39.6713	59
cluster_10.pdb ( medoid)	3.20743	17.1477	33.3944	55