CABS-dock: ab913c6ec1e588e

Project name: ab913c6ec1e588e

Status: done

submitted: 2025-04-15 09:48:35, status changed: 2025-04-15 11:20:38

Project settings

Protein sequence(s)	RLKSSCKRHPLYVDFSDVGWNDWIVAPPGYHAFYCHGECPFPLADHLNSTNHAIVQTLVNSVNSKIPKACCVPTELSAISMLYLDENEKVVLKNYQDMVVEGCGCR input pdb
Peptide sequence	YDIKTILKQDNGW
Simulation mc cycles	50
Peptide secondary structure psipred	CCHHHHHHHCCCC

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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

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)	28.7065	5.50398	13.875	158
cluster_2.pdb ( medoid)	27.4138	5.83648	16.8988	160
cluster_3.pdb ( medoid)	26.0538	7.36937	20.8849	192
cluster_4.pdb ( medoid)	23.6715	5.11163	18.0415	121
cluster_5.pdb ( medoid)	23.5932	3.05172	27.0037	72
cluster_6.pdb ( medoid)	18.0704	3.87374	12.0822	70
cluster_7.pdb ( medoid)	13.4224	4.09762	9.42599	55
cluster_8.pdb ( medoid)	11.1659	6.35864	21.4205	71
cluster_9.pdb ( medoid)	10.0144	7.38939	30.3344	74
cluster_10.pdb ( medoid)	4.75317	5.68042	14.9716	27