CABS-dock: ff9d37002f7e372

Project name: ff9d37002f7e372

Status: done

submitted: 2025-12-29 07:06:33, status changed: 2025-12-30 06:57:13

Project settings

Protein sequence(s)	PVLDQLTDPPGVRRVYHIQAGLPDPFQPPSLPITVYYAVLERACRSVLLNAPSEAPQIVRGASEDVRKQPYNLTIAWFRMGGNCAIPITVMEYTECSYNKSLGACPIRTQPRWNYYDSFSAVSEDNLGFLMHAPAFETAGTYLRLVKINDWTEITQFILEHRAKGSCKYALPLRIPPSACLSPQAYQQGVTVDSIGMLPRFIPENQRTVAVYSLKIAGWHGPKAPYTSTLLPPELAPEDPEDSALLEDPVGTVAPQIPPNWHIPSIQDAATPYCPVLDQLTDPPGVRRVYHIQAGLPDPFQPPSLPITVYYAVLERACRSVLLNAPSEAPQIVRGASEDVRKQPYNLTIAWFRMGGNCAIPITVMEYTECSYNKSLGACPIRTQPRWNYYDSFSAVSEDNLGFLMHAPAFETAGTYLRLVKINDWTEITQFILEHRAKGSCKYALPLRIPPSACLSPQAYQQGVTVDSIGMLPRFIPENQRTVAVYSLKIAGWHGPKAPYTSTLLPPELAPEDPEDSALLEDPVGTVAPQIPPNWHIPSIQDAATPYC input pdb
Peptide sequence	GNPKVAHCAS
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCC

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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)	27.6493	3.8699	49.9052	107
cluster_2.pdb ( medoid)	20.0398	10.6788	42.7066	214
cluster_3.pdb ( medoid)	16.0107	8.11959	37.6667	130
cluster_4.pdb ( medoid)	11.4061	9.90695	34.2252	113
cluster_5.pdb ( medoid)	10.2775	9.73	39.2513	100
cluster_6.pdb ( medoid)	10.1788	9.72606	34.6357	99
cluster_7.pdb ( medoid)	9.9801	11.8235	34.9016	118
cluster_8.pdb ( medoid)	3.62646	20.6813	42.1223	75
cluster_9.pdb ( medoid)	2.12502	18.3528	47.9354	39
cluster_10.pdb ( medoid)	0.450136	11.1078	19.7955	5