CABS-dock: a62e144ed11eab0

Project name: a62e144ed11eab0

Status: done

submitted: 2025-04-22 17:23:57, status changed: 2025-04-22 19:25:54

Project settings

Protein sequence(s)	GQRWELALGRFWDYLRWVQTLSEQVQEELLSSQVTQELRALMDETMKELKAYKSELEEQLSKELQAAQARLGADMEDVCGRLVQYRGEVQAMLGQSTEELRVRLASHLRKLRKRLLRDADDLQKRLAVYQ input pdb
Peptide sequence	LRKLRKRLLLRKLRKRLLC
Simulation mc cycles	50
Peptide secondary structure psipred	CHHHHHHHHHHHHHHHHCC

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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)	27.2508	7.77959	30.7002	212
cluster_2.pdb ( medoid)	25.7671	4.57948	23.1443	118
cluster_3.pdb ( medoid)	17.2765	5.1515	15.1354	89
cluster_4.pdb ( medoid)	12.0076	8.91105	28.9897	107
cluster_5.pdb ( medoid)	11.5661	10.3752	25.5979	120
cluster_6.pdb ( medoid)	11.2969	3.71782	8.17385	42
cluster_7.pdb ( medoid)	11.2708	8.96121	21.6248	101
cluster_8.pdb ( medoid)	10.6806	11.4226	23.4281	122
cluster_9.pdb ( medoid)	9.42916	4.03005	13.4186	38
cluster_10.pdb ( medoid)	8.68815	5.87007	27.2913	51