CABS-dock: Sc2QL17

Project name: Sc2QL17_LexA

Status: done

submitted: 2025-11-13 14:00:18, status changed: 2025-11-13 16:27:22

Project settings

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

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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 3Dmol (WebGL)

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)	23.1511	5.22654	18.0438	121
cluster_2.pdb ( medoid)	18.3513	8.39178	23.1953	154
cluster_3.pdb ( medoid)	13.3736	6.50538	23.1904	87
cluster_4.pdb ( medoid)	13.0812	10.7024	30.0618	140
cluster_5.pdb ( medoid)	12.7093	9.83533	30.6129	125
cluster_6.pdb ( medoid)	10.2961	7.28431	21.9449	75
cluster_7.pdb ( medoid)	10.2579	7.60387	24.1953	78
cluster_8.pdb ( medoid)	6.91353	8.38934	20.5743	58
cluster_9.pdb ( medoid)	6.38281	16.9205	34.9203	108
cluster_10.pdb ( medoid)	4.04082	13.3636	27.0623	54