CABS-dock: 2308895486a645

Project name: 2308895486a645

Status: done

submitted: 2025-11-14 03:12:53, status changed: 2025-11-14 16:29:08

Project settings

Protein sequence(s)	GVDLGTENLYFQSRFHLEIQEEETKCAELLRSQTEKHKACSGVWDNITCWRPANVGETVTVPCPKVFSNFYSKAGNISKNCTSDGWSETFPDFVDACGYSDPGVDLGTENLYFQSRFHLEIQEEETKCAELLRSQTEKHKACSGVWDNITCWRPANVGETVTVPCPKVFSNFYSKAGNISKNCTSDGWSETFPDFVDACGYSDPSSGVDLGTENLYFQSRFHLEIQEEETKCAELLRSQTEKHKACSGVWDNITCWRPANVGETVTVPCPKVFSNFYSKAGNISKNCTSDGWSETFPDFVDACGYSDP input pdb
Peptide sequence	HSDAVFTDNYTRLRKQMAVKKYLNSILN
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCHHHHHHHHHHHHHHHHHHHC

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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)	61.3729	1.62938	3.4066	100
cluster_2.pdb ( medoid)	52.4645	0.800542	2.22588	42
cluster_3.pdb ( medoid)	51.7387	1.93279	13.819	100
cluster_4.pdb ( medoid)	34.5017	1.68108	3.30563	58
cluster_5.pdb ( medoid)	28.297	3.71064	16.9559	105
cluster_6.pdb ( medoid)	23.2454	8.90499	20.4109	207
cluster_7.pdb ( medoid)	15.8311	7.39053	29.3038	117
cluster_8.pdb ( medoid)	13.7315	5.68038	14.4839	78
cluster_9.pdb ( medoid)	8.3006	12.0473	24.9824	100
cluster_10.pdb ( medoid)	7.21468	12.8904	25.0249	93