CABS-dock: Aiy

Project name: Aiy_7

Status: done

submitted: 2025-12-15 06:49:07, status changed: 2025-12-15 10:05:45

Project settings

Protein sequence(s)	QKQYWVCNSSDASISYTYCDKMQYPISINVNPCIELKGSKGLLHIFYIPRRDLKQLYFNLYITVNTMNLPKRKEVICRGSDDDYSFCRALKGETVNTTISFSFKGIKFSKGKYKCVVEAISGSPEEMLFCLEFVILHQPN input pdb
Peptide sequence	MLKLDITDAVNK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCHHCCC

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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)	66.8202	3.24752	25.3973	217
cluster_2.pdb ( medoid)	48.9555	3.65638	38.1905	179
cluster_3.pdb ( medoid)	39.2357	3.26233	6.3867	128
cluster_4.pdb ( medoid)	25.6261	5.93144	32.998	152
cluster_5.pdb ( medoid)	22.3	3.18386	6.87251	71
cluster_6.pdb ( medoid)	16.5083	4.36145	20.4071	72
cluster_7.pdb ( medoid)	13.5035	3.25841	6.97907	44
cluster_8.pdb ( medoid)	11.5289	4.25018	24.2225	49
cluster_9.pdb ( medoid)	8.17637	5.25906	21.4994	43
cluster_10.pdb ( medoid)	5.60322	8.0311	17.0661	45