CABS-dock: 7NUI_CEEASV

Project name: 7NUI_CEEASV_E2

Status: done

submitted: 2026-05-30 16:02:06, status changed: 2026-05-31 16:02:41

Project settings

Protein sequence(s)	GSHSMRYFDTAMSRPGRGEPRFISSVGYVDDTQFVRFDSDAASPRMEPRAPWIEQEGPEYWDRNTQIFKTNTQTDRESLRNLRGYYNQSEAGSHTLQSMYGCDVGPDGRLLRGHNQYAYDGKDYIALNEDLRSWTAADTAAQITQRKWEAARVAEQDRAYLEGTCVEWLRRYLENGKDTLERADPPKTHVTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP input pdb
Peptide sequence	CEEASVTVVEGQVDYYGLYYVHEGIR
Simulation mc cycles	200
Peptide secondary structure psipred	CCCCEEEEEEEEEEEEEEEEEECCCC

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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 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)	24.0441	6.15535	17.3762	148
cluster_2.pdb ( medoid)	18.1637	6.33129	48.8867	115
cluster_3.pdb ( medoid)	15.9959	8.75225	35.5219	140
cluster_4.pdb ( medoid)	10.424	7.19495	25.2918	75
cluster_5.pdb ( medoid)	8.43559	11.736	43.5403	99
cluster_6.pdb ( medoid)	5.94711	10.5934	42.7389	63
cluster_7.pdb ( medoid)	5.63585	9.04922	28.8866	51
cluster_8.pdb ( medoid)	4.73937	10.3389	40.8223	49
cluster_9.pdb ( medoid)	3.22329	21.7169	49.1819	70
cluster_10.pdb ( medoid)	3.08718	17.4917	51.5515	54