CABS-dock: 3VKW-20683

Project name: 3VKW-20683

Status: done

submitted: 2026-05-08 18:12:12, status changed: 2026-05-09 05:09:38

Project settings

Protein sequence(s)	EIESLEQFHMATASSLIHKQMCSIVYTGPLKVQQMKNFIDSLVASLSAAVSNLVKILKDTAAIDLETRQKFGVLDVASKRWLVKPSAKNHAWGVVETHARKYHVALLEHDEFGIITCDNWRRVAVSSESVVYSDMAKLRTLRRLLKDGEPHVSSAKVVLVDGVPGCGKTKEILSRVNFEEDLILVPGRQAAEMIRRRANASGIIVATKDNVRTVDSFLMNYGKGARCQFKRLFIDEGLMLHTGCVNFLVEMSLCDIAYVYGDTQQIPYINRVTGFPYPAHFAKLEVDEVETRRTTLRCPADVTHFLNQRYEGHVMCTSSEKKSVSQEMVSGAASINPVSKPLKGKILTFTQSDKEALLSRGYADVHTVHEVQGETYADVSLVRLTPTPVSIIARDSPHVLVSLSRHTKSLKYYTVVMDPLVSIIRDLERVSSYLLDMYKV input pdb
Peptide sequence	ELGLEGFLP
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCC

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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)	41.4452	5.40472	42.232	224
cluster_2.pdb ( medoid)	20.2119	4.84863	54.4496	98
cluster_3.pdb ( medoid)	16.9222	7.9777	52.8101	135
cluster_4.pdb ( medoid)	15.0348	7.44939	59.4589	112
cluster_5.pdb ( medoid)	12.364	9.13946	29.1728	113
cluster_6.pdb ( medoid)	11.1338	9.16131	48.3552	102
cluster_7.pdb ( medoid)	5.03331	16.6888	49.3733	84
cluster_8.pdb ( medoid)	4.49429	8.90018	32.8746	40
cluster_9.pdb ( medoid)	2.73052	19.4102	51.7414	53
cluster_10.pdb ( medoid)	2.11699	18.4224	41.2204	39