CABS-dock: 20c14114b1e4eb9

Project name: 20c14114b1e4eb9

Status: done

submitted: 2025-08-25 00:20:14, status changed: 2025-08-25 03:17:51

Project settings

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

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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)	31.6149	3.73242	17.7092	118
cluster_2.pdb ( medoid)	28.2841	3.00522	15.8087	85
cluster_3.pdb ( medoid)	19.6989	5.02566	20.7093	99
cluster_4.pdb ( medoid)	16.8526	6.34916	31.7672	107
cluster_5.pdb ( medoid)	14.9082	10.7323	33.4257	160
cluster_6.pdb ( medoid)	12.53	8.93856	23.9579	112
cluster_7.pdb ( medoid)	11.8869	9.16974	22.0328	109
cluster_8.pdb ( medoid)	7.87126	10.7988	25.6592	85
cluster_9.pdb ( medoid)	7.43678	11.9675	23.7183	89
cluster_10.pdb ( medoid)	6.46385	5.56944	17.6881	36