CABS-dock: 260628_LepB_3Y

Project name: 260628_LepB_3Y_1

Status: done

submitted: 2026-06-28 04:12:06, status changed: 2026-06-28 08:19:07

Project settings

Protein sequence(s)	RSFIYEPFQIPSGSMMPTLLIGDFILVEKFAYGIKDPIYQKTLIETGHPKRGDIVVFKYPEDPKLDYIKRAVGLPGDKVTYDPVSKELTIQPGCSSGQACENALPVTYSNVEPSDFVQTFSRRNGGEATSGFFEVPKNETKENGIRLSERKETLGDVTHRILTVPIAQDQVGMYYQQPGQQLATWIVPPGQYFMMGDNRDNSADSRYWGFVPEANLVGRATAIWMSFDGLRLSRIGGIH input pdb
Peptide sequence	MLSFAADYYY
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)	39.4208	3.75436	21.8806	148
cluster_2.pdb ( medoid)	21.398	10.0944	45.0908	216
cluster_3.pdb ( medoid)	17.6743	5.88424	24.8379	104
cluster_4.pdb ( medoid)	16.2841	3.80739	16.2255	62
cluster_5.pdb ( medoid)	12.132	4.2862	18.8125	52
cluster_6.pdb ( medoid)	11.4804	8.88471	23.6473	102
cluster_7.pdb ( medoid)	8.78711	9.78706	33.4915	86
cluster_8.pdb ( medoid)	6.09868	14.7573	41.1214	90
cluster_9.pdb ( medoid)	5.00664	13.582	40.4039	68
cluster_10.pdb ( medoid)	3.87668	18.5726	47.3451	72