CABS-dock: 260628_LepB_3T

Project name: 260628_LepB_3T_2

Status: done

submitted: 2026-06-28 04:13:07, status changed: 2026-06-28 08:21:05

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)	27.2031	4.77886	32.3271	130
cluster_2.pdb ( medoid)	26.6178	6.12373	21.2066	163
cluster_3.pdb ( medoid)	22.6339	5.08087	29.8826	115
cluster_4.pdb ( medoid)	12.8828	10.5567	29.8049	136
cluster_5.pdb ( medoid)	12.7779	8.92166	32.0307	114
cluster_6.pdb ( medoid)	10.4402	11.7814	31.811	123
cluster_7.pdb ( medoid)	10.3826	11.3652	31.8943	118
cluster_8.pdb ( medoid)	4.42622	11.2963	34.8654	50
cluster_9.pdb ( medoid)	2.47396	11.3179	29.6729	28
cluster_10.pdb ( medoid)	1.5709	14.6413	33.5397	23