CABS-dock: 7NUI_AIYYKA

Project name: 7NUI_AIYYKA_E2

Status: done

submitted: 2026-05-30 15:59:06, status changed: 2026-05-31 15:44:25

Project settings

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

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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)	123.759	0.816102	12.3751	101
cluster_2.pdb ( medoid)	38.7003	2.63564	11.3591	102
cluster_3.pdb ( medoid)	22.4134	2.90005	5.28302	65
cluster_4.pdb ( medoid)	21.0201	4.90008	16.745	103
cluster_5.pdb ( medoid)	18.6591	5.4665	16.086	102
cluster_6.pdb ( medoid)	13.2213	11.7235	33.381	155
cluster_7.pdb ( medoid)	12.0268	11.3081	35.3956	136
cluster_8.pdb ( medoid)	10.3869	3.65845	17.6529	38
cluster_9.pdb ( medoid)	8.92423	14.343	39.4797	128
cluster_10.pdb ( medoid)	6.52641	10.7256	33.9054	70