CABS-dock: 260628_LepB_3A

Project name: 260628_LepB_3A_3

Status: done

submitted: 2026-06-28 04:14:00, status changed: 2026-06-28 08:21:04

Project settings

Protein sequence(s)	RSFIYEPFQIPSGSMMPTLLIGDFILVEKFAYGIKDPIYQKTLIETGHPKRGDIVVFKYPEDPKLDYIKRAVGLPGDKVTYDPVSKELTIQPGCSSGQACENALPVTYSNVEPSDFVQTFSRRNGGEATSGFFEVPKNETKENGIRLSERKETLGDVTHRILTVPIAQDQVGMYYQQPGQQLATWIVPPGQYFMMGDNRDNSADSRYWGFVPEANLVGRATAIWMSFDGLRLSRIGGIH input pdb
Peptide sequence	MLSFAADAAA
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)	23.5861	4.79096	51.9807	113
cluster_2.pdb ( medoid)	18.5657	5.87103	25.602	109
cluster_3.pdb ( medoid)	17.2405	7.42438	23.6654	128
cluster_4.pdb ( medoid)	16.9416	9.38516	37.2756	159
cluster_5.pdb ( medoid)	13.1841	8.8743	48.4421	117
cluster_6.pdb ( medoid)	7.50246	11.7295	33.609	88
cluster_7.pdb ( medoid)	6.06317	17.6475	44.7561	107
cluster_8.pdb ( medoid)	5.52204	13.9441	35.8047	77
cluster_9.pdb ( medoid)	3.19789	13.4464	35.3051	43
cluster_10.pdb ( medoid)	2.78645	21.1739	56.8832	59