CABS-dock: 260628_LepB_3T

Project name: 260628_LepB_3T_3

Status: done

submitted: 2026-06-28 04:14:17, status changed: 2026-06-28 09:17:12

Project settings

Protein sequence(s)	RSFIYEPFQIPSGSMMPTLLIGDFILVEKFAYGIKDPIYQKTLIETGHPKRGDIVVFKYPEDPKLDYIKRAVGLPGDKVTYDPVSKELTIQPGCSSGQACENALPVTYSNVEPSDFVQTFSRRNGGEATSGFFEVPKNETKENGIRLSERKETLGDVTHRILTVPIAQDQVGMYYQQPGQQLATWIVPPGQYFMMGDNRDNSADSRYWGFVPEANLVGRATAIWMSFDGLRLSRIGGIH input pdb
Peptide sequence	MLSFAADTTT
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)	48.5183	3.48322	28.8869	169
cluster_2.pdb ( medoid)	40.4109	3.29119	24.6602	133
cluster_3.pdb ( medoid)	17.0311	5.75419	20.7653	98
cluster_4.pdb ( medoid)	15.3452	11.1436	44.9126	171
cluster_5.pdb ( medoid)	7.85701	12.6002	45.6575	99
cluster_6.pdb ( medoid)	6.83364	13.1701	40.7043	90
cluster_7.pdb ( medoid)	6.82769	13.7675	39.1122	94
cluster_8.pdb ( medoid)	3.97204	24.169	60.1824	96
cluster_9.pdb ( medoid)	3.94354	7.10023	23.9329	28
cluster_10.pdb ( medoid)	1.26316	17.4167	36.0854	22