CABS-dock: a29a918d07e4ace

Project name: a29a918d07e4ace

Status: done

submitted: 2025-05-19 11:40:19, status changed: 2025-05-19 13:21:21

Project settings

Protein sequence(s)	AEGYQYRALYDYKKEREEDIDLHLGDILTVNKGSLVALGFSDGQEARPEEIGWLNGYNETTGERGDFPGTYVEYIGRKKISPP input pdb
Peptide sequence	TAAPTDP
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCC

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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)	36.2609	4.85372	24.9433	176
cluster_2.pdb ( medoid)	32.8745	4.19779	14.2888	138
cluster_3.pdb ( medoid)	16.9873	4.94486	12.9538	84
cluster_4.pdb ( medoid)	14.7128	7.20463	21.965	106
cluster_5.pdb ( medoid)	12.4056	8.94756	23.4551	111
cluster_6.pdb ( medoid)	12.315	6.25252	16.1107	77
cluster_7.pdb ( medoid)	9.94143	6.33712	22.2685	63
cluster_8.pdb ( medoid)	9.63058	8.30687	19.2736	80
cluster_9.pdb ( medoid)	7.73991	10.8528	25.9152	84
cluster_10.pdb ( medoid)	7.22525	11.2107	30.1544	81