CABS-dock: 40120ad3f569029

Project name: 40120ad3f569029

Status: done

submitted: 2025-08-25 21:16:42, status changed: 2025-08-26 00:27:39

Project settings

Protein sequence(s)	SGNAKIGHPAPNFKATAVMPDGQFKDISLSDYKGKYVVFFFYPLDFTFVCPTEIIAFSDRAEEFKKLNSQVIGASVDSHFEHLAWVNTPKKQGGLGPMNIPLVSDPKRTIAQDYGVLKADEGISFRGLFIIDDKGILRQITVNDLPVGRSVDETLRLVQAFQFTDKHGEVSPAGWKPGSDTIKP input pdb
Peptide sequence	NDIEYNAPREIKNHGARQLY
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCHHHHHCCCCCCC

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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

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)	21.5065	11.0199	30.1954	237
cluster_2.pdb ( medoid)	18.092	7.84877	29.9516	142
cluster_3.pdb ( medoid)	10.2361	8.30396	29.5128	85
cluster_4.pdb ( medoid)	10.0163	5.19153	18.5226	52
cluster_5.pdb ( medoid)	8.99137	8.1189	26.1648	73
cluster_6.pdb ( medoid)	8.60319	16.738	40.1455	144
cluster_7.pdb ( medoid)	6.31244	13.6239	28.6787	86
cluster_8.pdb ( medoid)	5.04798	13.6688	36.0447	69
cluster_9.pdb ( medoid)	4.16155	16.34	35.2658	68
cluster_10.pdb ( medoid)	3.39394	12.9643	35.0576	44