CABS-dock: 13) C6KH58

Project name: 13) C6KH58_PEDAC

Status: done

submitted: 2026-01-16 08:38:49, status changed: 2026-01-16 21:28:54

Project settings

Protein sequence(s)	MSRIILFAAILAIIAVSANGASNLPALDMASIPDEYKDLVPPEVTTFYNELTEDDKKILKEVAEKHSEYATDEDALNALKEKSEKLYTKANELRNLVKDRISKLNPEAKTFVDTIIEKLKALRPKEDEKPNLTELRKEANEIVEKFKALSEEAKESLKTNFPKITGVIQNEKFQKLAQSLLKPEGAAAPA input pdb
Peptide sequence	MNGSTTKTHDIIEKTEKFGARNYHPLPI
Simulation mc cycles	100
Peptide secondary structure psipred	CCCCCCCHHHHHHHHHHHCCCCCCCCCC

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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)	32.5339	4.0573	23.2774	132
cluster_2.pdb ( medoid)	26.5355	4.78604	11.6479	127
cluster_3.pdb ( medoid)	17.6114	7.15446	31.2762	126
cluster_4.pdb ( medoid)	15.4647	14.7432	36.5715	228
cluster_5.pdb ( medoid)	12.2606	6.52498	19.2578	80
cluster_6.pdb ( medoid)	7.21119	10.9552	23.4814	79
cluster_7.pdb ( medoid)	7.04588	6.10286	28.9783	43
cluster_8.pdb ( medoid)	5.04128	18.8444	43.0136	95
cluster_9.pdb ( medoid)	4.9017	13.8727	30.6579	68
cluster_10.pdb ( medoid)	1.58696	13.863	31.8414	22