CABS-dock: Sc1QL17_Rec

Project name: Sc1QL17_Rec_A

Status: done

submitted: 2025-11-13 13:58:02, status changed: 2025-11-13 19:35:46

Project settings

Protein sequence(s)	DENKQKALAAALGQIEKQFGKGSIMRLGEDRSMDVETISTGSLSLDIALGAGGLPMGRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHALDPIYARKLGVDIDNLLCSQPDTGEQALEICDALARSGAVDVIVVDSVAALTPKAEIEGLAARMMSQAMRKLAGNLKQSNTLLIFINQTGGNALKFYASVRLDIRRIGAVKEGENVVGSETRVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRELLL 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

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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)	51.47	2.04002	13.8252	105
cluster_2.pdb ( medoid)	30.5844	3.92356	26.1719	120
cluster_3.pdb ( medoid)	24.9735	8.88943	31.3368	222
cluster_4.pdb ( medoid)	24.4136	2.37572	5.79994	58
cluster_5.pdb ( medoid)	11.7349	13.8049	37.8749	162
cluster_6.pdb ( medoid)	9.9307	13.2921	29.616	132
cluster_7.pdb ( medoid)	9.46007	2.21986	7.45701	21
cluster_8.pdb ( medoid)	9.19894	11.3056	34.6366	104
cluster_9.pdb ( medoid)	6.00937	3.16173	21.9746	19
cluster_10.pdb ( medoid)	2.78405	20.4738	43.697	57