CABS-dock: 4324be641ffbc2c

Project name: 4324be641ffbc2c

Status: done

submitted: 2026-02-27 05:56:10, status changed: 2026-02-28 06:44:45

Project settings

Protein sequence(s)	YDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKEL input pdb
Peptide sequence	KKELVREVGFEICFKDHHEKI
Simulation mc cycles	50
Peptide secondary structure psipred	CCHHHHHHCCEEECCCCCCCC

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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)	25.8147	3.91249	23.8098	101
cluster_2.pdb ( medoid)	17.0372	4.7543	29.2359	81
cluster_3.pdb ( medoid)	15.4095	14.7961	33.357	228
cluster_4.pdb ( medoid)	14.2091	9.21942	55.5873	131
cluster_5.pdb ( medoid)	10.9406	4.93576	30.9452	54
cluster_6.pdb ( medoid)	9.95235	11.0527	35.4509	110
cluster_7.pdb ( medoid)	6.60231	7.72457	24.0407	51
cluster_8.pdb ( medoid)	4.53188	19.6387	55.3899	89
cluster_9.pdb ( medoid)	4.26382	7.97408	16.1379	34
cluster_10.pdb ( medoid)	3.30037	6.36292	15.7014	21