CABS-dock: 7NUI_EMGFKH

Project name: 7NUI_EMGFKH_E2

Status: done

submitted: 2026-05-30 15:59:59, status changed: 2026-05-31 15:57:13

Project settings

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

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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)	76.0512	1.32805	6.46286	101
cluster_2.pdb ( medoid)	45.6352	2.16938	3.94064	99
cluster_3.pdb ( medoid)	25.0797	3.6683	11.4933	92
cluster_4.pdb ( medoid)	19.9778	5.20577	18.6403	104
cluster_5.pdb ( medoid)	17.9799	7.78647	19.1721	140
cluster_6.pdb ( medoid)	10.9971	12.6397	26.3166	139
cluster_7.pdb ( medoid)	9.91954	5.94785	16.379	59
cluster_8.pdb ( medoid)	8.09719	14.4495	30.9353	117
cluster_9.pdb ( medoid)	7.65078	13.9855	35.6823	107
cluster_10.pdb ( medoid)	5.22103	8.04439	17.0228	42