CABS-dock: METiline

Project name: METiline

Status: done

submitted: 2025-04-15 17:32:08, status changed: 2025-04-16 00:20:05

Project settings

Protein sequence(s)	TLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSAWHLCAISLDRYWSITQAIEYNLKRTPRRIKAIILTVWVISAVISFPPLISIPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCR input pdb
Peptide sequence	GIGAVLKVLTTGLPALISWIKRKRQQ
Simulation mc cycles	50
Peptide secondary structure psipred	CHHHHHHHHHHCHHHHHHHHHHHHCC

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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)	123.982	0.806568	2.74958	100
cluster_2.pdb ( medoid)	12.0909	11.4135	30.7946	138
cluster_3.pdb ( medoid)	11.8727	10.2757	38.8849	122
cluster_4.pdb ( medoid)	10.4665	8.3122	22.2664	87
cluster_5.pdb ( medoid)	9.29313	12.8052	32.1014	119
cluster_6.pdb ( medoid)	8.49748	8.23774	27.3354	70
cluster_7.pdb ( medoid)	8.24956	13.9401	37.2403	115
cluster_8.pdb ( medoid)	7.94774	9.31082	20.4889	74
cluster_9.pdb ( medoid)	7.51748	11.0409	25.6666	83
cluster_10.pdb ( medoid)	6.70506	13.721	32.2671	92