CABS-dock: b61aa62dee4a2e0

Project name: b61aa62dee4a2e0

Status: done

submitted: 2025-12-29 08:46:33, status changed: 2025-12-29 12:27:37

Project settings

Protein sequence(s)	MVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPARVIVQCGSNCFRMVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPA 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)	16.6166	8.30497	33.9946	138
cluster_2.pdb ( medoid)	13.4561	4.38463	16.0853	59
cluster_3.pdb ( medoid)	9.73161	14.5916	40.5701	142
cluster_4.pdb ( medoid)	9.45233	9.73305	44.0574	92
cluster_5.pdb ( medoid)	6.83665	7.60607	28.4122	52
cluster_6.pdb ( medoid)	6.5684	14.6154	40.8868	96
cluster_7.pdb ( medoid)	5.65014	15.7518	39.0611	89
cluster_8.pdb ( medoid)	5.57792	22.5891	56.8646	126
cluster_9.pdb ( medoid)	5.2936	18.8907	38.0283	100
cluster_10.pdb ( medoid)	4.96498	21.3495	41.6432	106