CABS-dock: 744b9292fa80949

Project name: 744b9292fa80949

Status: done

submitted: 2025-12-29 11:02:57, status changed: 2025-12-29 14:04:30

Project settings

Protein sequence(s)	MVLSSDPPGPAAYRISDSSFVQCGSNCSMIIDGDVARGHLRDLEGATMVLSSDPPGPAAYRISDSSFVQCGSNCSMIIDGDVARGHLRDLEGAT input pdb
Peptide sequence	LPPTDESIKYTIYNSTGIQIGAYNYMEIGG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCEEEECCCCEEECCCCEECCCC

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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)	33.3808	3.17548	26.0521	106
cluster_2.pdb ( medoid)	29.5692	6.72997	19.0029	199
cluster_3.pdb ( medoid)	18.3491	9.70076	22.1065	178
cluster_4.pdb ( medoid)	11.5157	10.8548	27.9908	125
cluster_5.pdb ( medoid)	8.93768	7.94389	25.9053	71
cluster_6.pdb ( medoid)	6.73176	10.6956	26.0254	72
cluster_7.pdb ( medoid)	6.68687	13.0106	26.2535	87
cluster_8.pdb ( medoid)	5.34965	10.0941	32.3805	54
cluster_9.pdb ( medoid)	4.68911	13.8619	29.2935	65
cluster_10.pdb ( medoid)	3.98218	10.7981	22.4317	43