CABS-dock: 7NUI_THYEND

Project name: 7NUI_THYEND_E2

Status: done

submitted: 2026-05-30 15:58:14, status changed: 2026-05-31 15:36:30

Project settings

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

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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)	105.726	0.945842	4.93975	100
cluster_2.pdb ( medoid)	34.0476	2.99581	26.7952	102
cluster_3.pdb ( medoid)	22.8687	4.41653	31.1644	101
cluster_4.pdb ( medoid)	12.2611	9.46082	41.0921	116
cluster_5.pdb ( medoid)	11.0107	11.7158	31.5112	129
cluster_6.pdb ( medoid)	11.0062	11.8115	44.2211	130
cluster_7.pdb ( medoid)	9.28841	13.027	63.561	121
cluster_8.pdb ( medoid)	9.08301	9.90861	22.7387	90
cluster_9.pdb ( medoid)	4.30197	13.7147	36.1155	59
cluster_10.pdb ( medoid)	2.17543	23.9033	47.9411	52