CABS-dock: dd54041e9c4e45

Project name: dd54041e9c4e45

Status: done

submitted: 2025-10-19 21:45:07, status changed: 2025-10-19 22:47:47

Project settings

Protein sequence(s)	DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA input pdb
Peptide sequence	YGRKKRRQRRRKLVFFKKKKKKHH
Simulation mc cycles	50
Peptide secondary structure psipred	CCCHHHHHHHHCCHHHCCCCCCCC

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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)	29.4805	3.96873	19.8828	117
cluster_2.pdb ( medoid)	19.5273	9.52513	27.8543	186
cluster_3.pdb ( medoid)	17.2091	7.90277	22.7402	136
cluster_4.pdb ( medoid)	10.5861	10.391	25.7191	110
cluster_5.pdb ( medoid)	9.85435	9.53894	23.0836	94
cluster_6.pdb ( medoid)	9.53893	12.3704	26.6712	118
cluster_7.pdb ( medoid)	6.47954	9.87724	22.2793	64
cluster_8.pdb ( medoid)	4.35239	14.0153	24.7734	61
cluster_9.pdb ( medoid)	3.87885	16.4997	30.1452	64
cluster_10.pdb ( medoid)	3.87695	12.8967	27.3937	50