CABS-dock: 3eqs_redocking

Project name: 3eqs_redocking_cabs-dock

Status: done

submitted: 2026-06-02 13:05:31, status changed: 2026-06-02 14:50:44

Project settings

Protein sequence(s)	TLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVV input pdb
Peptide sequence	TSFAEYWNLLSP
Simulation mc cycles	50
Peptide secondary structure psipred	CCHHHHHHHCCC

Re-submit project

Zoom/rotate predicted model of the complex using mouse. Click the "View" button on the right panel to load the appropriate model. View in JSmol (pure html5/js) if you got rendering problems.

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)	38.8209	5.89889	24.7698	229
cluster_2.pdb ( medoid)	32.3733	2.84185	8.013	92
cluster_3.pdb ( medoid)	27.901	4.80269	20.5471	134
cluster_4.pdb ( medoid)	26.3037	5.28442	23.4519	139
cluster_5.pdb ( medoid)	20.1182	6.01445	23.9817	121
cluster_6.pdb ( medoid)	19.6189	4.7913	35.7548	94
cluster_7.pdb ( medoid)	11.721	4.00989	12.3934	47
cluster_8.pdb ( medoid)	11.7095	7.17366	19.2921	84
cluster_9.pdb ( medoid)	7.42111	3.90777	23.4029	29
cluster_10.pdb ( medoid)	6.07405	5.10368	25.8264	31