CABS-dock: +Q69091

Project name: +Q69091

Status: done

submitted: 2026-02-27 10:34:18, status changed: 2026-02-28 06:53:26

Project settings

Protein sequence(s)	PVLDQLTDPPGVRRVYHIQAGLPDPFQPPSLPITVYYAVLERACRSVLLNAPSEAPQIVRGASEDVRKQPYNLTIAWFRMGGNCAIPITVMEYTECSYNKSLGACPIRTQPRWNYYDSFSAVSEDNLGFLMHAPAFETAGTYLRLVKINDWTEITQFILEHRAKGSCKYALPLRIPPSACLSPQAYQQGVTVDSIGMLPRFIPENQRTVAVYSLKIAGWHGPKAPYTSTLLNDSMYGFIGTDVVLHHCSFANPLPSVKITQVTWQKSTNGSKQNVAIYNPSMGVSVLAPYRERVEFLRPSFTDGTIRLSRLELEDEGVYICEFATFPTGNRESQLNLTVMAKPTNWIEGTQAVLRAKKGQDDKVLVATCTSANGKPPSVVSWETRLKGEAEYQEIRNPNGTVTVISRYRLVPSREAHQQSLACIVNYHMDRFKESLTLNVQYEPEVTIEGFDGNWYLQRMDVKLTCKADANPPATEYHWTTLNGSLPKGVEAQNRTLFFKGPINYSLAGTYICEATNPIGTRSGQVEVNITE input pdb
Peptide sequence	VLRLRGGAKKRIKHKKKKVKLAVLQFY
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCHHHCCCCCCCEEEEEEECC

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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)	19.8475	5.08881	38.0108	101
cluster_2.pdb ( medoid)	15.9632	4.07186	37.0879	65
cluster_3.pdb ( medoid)	14.1019	2.83649	22.5589	40
cluster_4.pdb ( medoid)	12.4722	11.7863	38.7903	147
cluster_5.pdb ( medoid)	10.9868	4.82398	9.3165	53
cluster_6.pdb ( medoid)	7.85623	15.0199	61.0801	118
cluster_7.pdb ( medoid)	7.68697	6.24434	33.1095	48
cluster_8.pdb ( medoid)	6.47896	25.1583	65.9902	163
cluster_9.pdb ( medoid)	2.62905	24.7237	44.8731	65
cluster_10.pdb ( medoid)	2.55249	23.1147	50.7014	59