CABS-dock: cb18aa5d7f870a1

Project name: cb18aa5d7f870a1

Status: done

submitted: 2025-12-31 06:32:12, status changed: 2025-12-31 14:08:21

Project settings

Protein sequence(s)	MKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVSLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALT input pdb
Peptide sequence	MGYQKKLRSMTDKYRL
Simulation mc cycles	50
Peptide secondary structure psipred	CCHHHHHHHCCHHCCC

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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)	245.235	0.297674	1.04613	73
cluster_2.pdb ( medoid)	111.086	0.243054	0.812456	27
cluster_3.pdb ( medoid)	41.8181	2.39131	4.41566	100
cluster_4.pdb ( medoid)	31.8246	3.14222	5.94008	100
cluster_5.pdb ( medoid)	27.5152	3.52533	11.9398	97
cluster_6.pdb ( medoid)	22.5416	6.0333	22.0656	136
cluster_7.pdb ( medoid)	22.411	8.74572	23.5788	196
cluster_8.pdb ( medoid)	13.8293	8.4603	32.0875	117
cluster_9.pdb ( medoid)	8.57985	10.9559	24.9907	94
cluster_10.pdb ( medoid)	4.15083	14.4549	33.0802	60