CABS-dock: 9ASF_THYEND

Project name: 9ASF_THYEND_E2

Status: done

submitted: 2026-05-30 16:21:57, status changed: 2026-05-31 10:27:26

Project settings

Protein sequence(s)	GSSHSMRYFFTSVSRPGRGEPRFIAVVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSSQQTDRVDLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYLDGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRW 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 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

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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)	32.8409	3.07543	15.9339	101
cluster_2.pdb ( medoid)	27.1544	3.68264	8.78554	100
cluster_3.pdb ( medoid)	22.7766	4.61	23.1758	105
cluster_4.pdb ( medoid)	18.9376	10.6666	22.5647	202
cluster_5.pdb ( medoid)	18.0797	4.7567	20.3103	86
cluster_6.pdb ( medoid)	12.8153	6.08649	23.4622	78
cluster_7.pdb ( medoid)	12.2516	7.18273	17.2859	88
cluster_8.pdb ( medoid)	8.00184	4.99885	15.4143	40
cluster_9.pdb ( medoid)	7.75054	9.80577	22.308	76
cluster_10.pdb ( medoid)	4.76529	5.87582	15.6633	28