CABS-dock: LexA

Project name: LexA_ScQL17

Status: done

submitted: 2025-11-13 13:42:22, status changed: 2025-11-13 15:57:58

Project settings

Protein sequence(s)	EEEEGLPLVGRVAAGEPLLAQQHIEGHYQVDPSLFKPNADFLLRVSGMSMKDIGIMDGDLLAVHKTQDVRNGQVVVARIDDEVTVKRLKKQGNKVELLPENSEFKPIVVDLRQQSFTIEGLAVGVVIRNGDWL input pdb
Peptide sequence	VQHQLKKHEIAGIVANK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCHHHHCCEECCC

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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)	45.5254	3.99777	19.8975	182
cluster_2.pdb ( medoid)	16.0619	5.10524	30.2043	82
cluster_3.pdb ( medoid)	12.2667	6.68479	25.0232	82
cluster_4.pdb ( medoid)	10.3612	12.3538	38.8385	128
cluster_5.pdb ( medoid)	10.107	13.2581	40.5619	134
cluster_6.pdb ( medoid)	9.94358	9.95617	34.3833	99
cluster_7.pdb ( medoid)	7.9551	8.04516	20.8966	64
cluster_8.pdb ( medoid)	7.51285	13.9761	41.3552	105
cluster_9.pdb ( medoid)	4.91563	12.6128	34.6107	62
cluster_10.pdb ( medoid)	4.14164	14.9699	37.5651	62