CABS-dock: Aiy

Project name: Aiy_6

Status: done

submitted: 2025-12-15 06:46:56, status changed: 2025-12-15 09:55:08

Project settings

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

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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)	72.4392	2.52626	6.43235	183
cluster_2.pdb ( medoid)	41.4518	2.79843	5.2543	116
cluster_3.pdb ( medoid)	33.1188	3.32137	24.1214	110
cluster_4.pdb ( medoid)	30.065	3.89157	23.9163	117
cluster_5.pdb ( medoid)	22.177	3.24661	20.0379	72
cluster_6.pdb ( medoid)	20.7738	5.92091	38.2017	123
cluster_7.pdb ( medoid)	18.4021	4.23864	24.6379	78
cluster_8.pdb ( medoid)	15.9843	3.75369	23.2035	60
cluster_9.pdb ( medoid)	11.8922	6.30667	41.2315	75
cluster_10.pdb ( medoid)	3.52222	18.7382	38.515	66