CABS-dock: +Q69091

Project name: +Q69091

Status: done

submitted: 2026-02-27 10:34:27, status changed: 2026-02-28 06:58:00

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 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)	20.3974	5.24577	33.5906	107
cluster_2.pdb ( medoid)	12.7981	8.51691	29.9316	109
cluster_3.pdb ( medoid)	11.8478	13.5046	49.1009	160
cluster_4.pdb ( medoid)	10.0678	11.7205	56.9566	118
cluster_5.pdb ( medoid)	6.22605	18.3102	48.4619	114
cluster_6.pdb ( medoid)	5.36176	14.5475	39.4714	78
cluster_7.pdb ( medoid)	4.19428	17.1663	68.4877	72
cluster_8.pdb ( medoid)	3.93957	15.2301	34.3579	60
cluster_9.pdb ( medoid)	2.90493	18.5891	49.4378	54
cluster_10.pdb ( medoid)	1.88137	14.8828	27.8673	28