CABS-dock: 7NUI_VTLTYD

Project name: 7NUI_VTLTYD_E2

Status: done

submitted: 2026-05-30 16:05:46, status changed: 2026-05-31 15:00:00

Project settings

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

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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)	50.6722	2.42736	18.4676	123
cluster_2.pdb ( medoid)	37.6724	4.67185	24.328	176
cluster_3.pdb ( medoid)	26.9123	2.60104	12.0843	70
cluster_4.pdb ( medoid)	18.7839	4.52514	38.7215	85
cluster_5.pdb ( medoid)	17.7959	3.37156	5.53948	60
cluster_6.pdb ( medoid)	11.3833	4.48026	9.56639	51
cluster_7.pdb ( medoid)	10.6468	15.4037	51.1207	164
cluster_8.pdb ( medoid)	7.03234	16.4952	51.6807	116
cluster_9.pdb ( medoid)	4.98889	9.22048	30.6003	46
cluster_10.pdb ( medoid)	2.78889	25.8168	65.4409	72