CABS-dock: Sc1QL17

Project name: Sc1QL17_LexA

Status: done

submitted: 2025-11-13 13:58:46, status changed: 2025-11-13 16:14:23

Project settings

Protein sequence(s)	EEEEGLPLVGRVAAGEPLLAQQHIEGHYQVDPSLFKPNADFLLRVSGMSMKDIGIMDGDLLAVHKTQDVRNGQVVVARIDDEVTVKRLKKQGNKVELLPENSEFKPIVVDLRQQSFTIEGLAVGVIRNGDWL input pdb
Peptide sequence	KVAQHIAQKVIHGLKNE
Simulation mc cycles	50
Peptide secondary structure psipred	CHHHHHHHHHHHHHHCC

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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

Download all files

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)	133.564	0.771165	16.4453	103
cluster_2.pdb ( medoid)	21.8145	4.90499	26.1042	107
cluster_3.pdb ( medoid)	18.6775	6.42483	34.4148	120
cluster_4.pdb ( medoid)	13.4882	8.526	28.2525	115
cluster_5.pdb ( medoid)	11.9461	8.87319	26.3848	106
cluster_6.pdb ( medoid)	11.1528	10.5803	22.7603	118
cluster_7.pdb ( medoid)	9.80617	8.36209	25.7265	82
cluster_8.pdb ( medoid)	8.90714	15.0441	32.95	134
cluster_9.pdb ( medoid)	5.77218	12.8201	27.0001	74
cluster_10.pdb ( medoid)	2.52948	16.2088	32.2318	41