CABS-dock: 621dd2fd3132707

Project name: 621dd2fd3132707

Status: done

submitted: 2025-12-26 10:50:11, status changed: 2025-12-26 18:12:55

Project settings

Protein sequence(s)	MSEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGACGLRYRNPVSQCMRGVRLVEGILHAPDAGWGNLVYVVNYPKDNKRKMDETDASSAVKVKRAVQKTSDLIVLGLPWKTTEQDLKEYFSTFGEVLMVQVKKDLKTGHSKGFGFVRFTEYETQVKVMSQRHMIDGRWCDCKLPNSKQSQDEPLRSRKVFVGRCTEDMTEDELREFFSQYGDVMDVFIPKPFRAFAFVTFADDQIAQSLCGEDLIIKGISVHISNAEPKHNSNRQLERSGRFGGNPGGFGNQGGFGNSRGGGAGLGNNQGSNMGGGMNFGAFSINPAMMAAAQAALQSSWGMMGMLASQQNQSGPSGNNQNQGNMQREPNQAFGSGNNSYSGSNSGAAIGWGSASNAGSGSGFNGGFGSSMDSKSSGWGM input pdb
Peptide sequence	KLWKW
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCC

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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

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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)	60.5467	1.68465	17.362	102
cluster_2.pdb ( medoid)	20.9644	5.81938	52.049	122
cluster_3.pdb ( medoid)	18.2387	8.71773	47.0602	159
cluster_4.pdb ( medoid)	14.9473	9.90147	36.4719	148
cluster_5.pdb ( medoid)	7.90293	8.85747	23.2329	70
cluster_6.pdb ( medoid)	7.80641	11.6571	58.4678	91
cluster_7.pdb ( medoid)	6.95723	10.4927	25.5942	73
cluster_8.pdb ( medoid)	3.81181	17.3146	44.9198	66
cluster_9.pdb ( medoid)	3.04777	11.8119	32.1017	36
cluster_10.pdb ( medoid)	1.72577	19.1219	44.2412	33