CABS-dock: lab3

Project name: lab3_4

Status: done

submitted: 2025-12-06 14:53:11, status changed: 2025-12-07 10:16:40

Project settings

Protein sequence(s)	TWAKKVEFLLAVIGFAVDLGNVWRFPYICYQNGGGAFLIPYCIMLVFGGLPLFYMELALGQFRCGCLTIWKRICPALKGVGYAICLIDVYMGMYYNTIIGWAVYYLFASFRSELPWTSCDNPWNTADCTPVFSLARTNRSVSPAREFFERSVLELRSDGLDRMGPIKWSLALCVLAVFLLVYFSLWKGVRSAGKAVWVTALAPYGVLVILLCRGVTLPGAAEGIRYYLTPEWKLSNAKVWIDAASQIFFSLGPGFGTLLALSSYNKFNNNCYRDAILTSSINCLTSFLAGFVIFSVLGYMAVQKKSVSEVGLEGPGLVFIVYPEAIATMSGSVFWSIIFFLMLITLGLDSTFGGLEAMITALCDEYPRVLGRREAFVAVLLLAVYICALPTTTYGGEYLVNLLNVYGPGISILFVVFVEAVGVCWFYGVSRFSRDIEKMLGQPGIFWRVCWAYISPIFILVIFIFSLMGYEEMLPGEYVYPAWSISVGWVLTASSLVCIPLYIIYMLITTPGTCLQRVKAAVKPCDE input pdb
Peptide sequence	KVAD
Simulation mc cycles	50
Peptide secondary structure psipred	CCCC

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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)	70.5971	1.5723	5.23001	111
cluster_2.pdb ( medoid)	65.2803	1.33272	4.51578	87
cluster_3.pdb ( medoid)	33.091	2.50823	7.04671	83
cluster_4.pdb ( medoid)	32.9538	2.70075	13.9098	89
cluster_5.pdb ( medoid)	28.0204	5.85289	26.8832	164
cluster_6.pdb ( medoid)	24.535	4.03505	27.4234	99
cluster_7.pdb ( medoid)	20.4648	5.57055	40.057	114
cluster_8.pdb ( medoid)	19.3971	5.77406	19.1676	112
cluster_9.pdb ( medoid)	15.6864	8.79741	34.8376	138
cluster_10.pdb ( medoid)	0.858469	3.49459	4.41301	3