CABS-dock: f0edd93b7f7d6f2

Project name: f0edd93b7f7d6f2

Status: done

submitted: 2025-12-29 07:05:45, status changed: 2025-12-30 06:43:51

Project settings

Protein sequence(s)	PVLDQLTDPPGVRRVYHIQAGLPDPFQPPSLPITVYYAVLERACRSVLLNAPSEAPQIVRGASEDVRKQPYNLTIAWFRMGGNCAIPITVMEYTECSYNKSLGACPIRTQPRWNYYDSFSAVSEDNLGFLMHAPAFETAGTYLRLVKINDWTEITQFILEHRAKGSCKYALPLRIPPSACLSPQAYQQGVTVDSIGMLPRFIPENQRTVAVYSLKIAGWHGPKAPYTSTLLPPELAPEDPEDSALLEDPVGTVAPQIPPNWHIPSIQDAATPYCPVLDQLTDPPGVRRVYHIQAGLPDPFQPPSLPITVYYAVLERACRSVLLNAPSEAPQIVRGASEDVRKQPYNLTIAWFRMGGNCAIPITVMEYTECSYNKSLGACPIRTQPRWNYYDSFSAVSEDNLGFLMHAPAFETAGTYLRLVKINDWTEITQFILEHRAKGSCKYALPLRIPPSACLSPQAYQQGVTVDSIGMLPRFIPENQRTVAVYSLKIAGWHGPKAPYTSTLLPPELAPEDPEDSALLEDPVGTVAPQIPPNWHIPSIQDAATPYC input pdb
Peptide sequence	NPKVAHCASQ
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 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)	28.7331	5.84691	34.0424	168
cluster_2.pdb ( medoid)	27.657	4.15808	13.388	115
cluster_3.pdb ( medoid)	18.6919	6.2059	42.4732	116
cluster_4.pdb ( medoid)	17.7101	4.06547	7.39839	72
cluster_5.pdb ( medoid)	14.287	9.58917	27.2671	137
cluster_6.pdb ( medoid)	10.5642	14.7669	54.4124	156
cluster_7.pdb ( medoid)	4.89748	15.5182	42.7049	76
cluster_8.pdb ( medoid)	4.87255	14.5714	41.2075	71
cluster_9.pdb ( medoid)	2.80824	12.8194	34.8308	36
cluster_10.pdb ( medoid)	2.77453	19.1023	44.388	53