CABS-dock: 9ASF_AIYYKA

Project name: 9ASF_AIYYKA_E2

Status: done

submitted: 2026-05-30 16:22:45, status changed: 2026-05-31 10:30:29

Project settings

Protein sequence(s)	GSSHSMRYFFTSVSRPGRGEPRFIAVVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSSQQTDRVDLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYLDGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRW 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 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)	48.4009	1.38427	9.87247	67
cluster_2.pdb ( medoid)	42.9716	2.51329	7.05256	108
cluster_3.pdb ( medoid)	37.8705	2.69339	5.93631	102
cluster_4.pdb ( medoid)	20.4146	7.54361	31.5135	154
cluster_5.pdb ( medoid)	17.664	3.90625	14.3075	69
cluster_6.pdb ( medoid)	16.545	7.19249	18.7414	119
cluster_7.pdb ( medoid)	14.6409	3.6883	13.1595	54
cluster_8.pdb ( medoid)	11.9722	10.5244	26.1904	126
cluster_9.pdb ( medoid)	11.3044	10.35	23.6829	117
cluster_10.pdb ( medoid)	9.11868	9.21186	21.3466	84