CABS-dock: 82a2df77227d82

Project name: 82a2df77227d82

Status: done

submitted: 2025-07-17 22:09:42, status changed: 2025-07-18 01:51:40

Project settings

Protein sequence(s)	MSESQKETFRKYLEQAGAIDVLVKVLVQLYEEPSKPKTALDYIKQCLGSPTPAEYEAVVAERDGLQKQLEEANQLIAELQSRVQSLEAAAETAIEYDALVSAREVLAGLFAELMEDADMSESQKETFRKYLEQAGAIDVLVKVLVQLYEEPSKPKTALDYIKQCLGSPTPAEYEAVVAERDGLQKQLEEANQLIAELQSRVQSLEAAAETA input pdb
Peptide sequence	GQSLTVAVTFEAAAAGTYREAWELVTRPPL
Simulation mc cycles	50
Peptide secondary structure psipred	CCCEEEEEEEEHHHCCCHHHHHHHHCCCCC

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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)	20.25	5.77778	37.5639	117
cluster_2.pdb ( medoid)	19.727	5.5761	31.5637	110
cluster_3.pdb ( medoid)	14.7477	8.95057	39.4326	132
cluster_4.pdb ( medoid)	12.7797	8.13788	30.2991	104
cluster_5.pdb ( medoid)	12.4108	7.9769	39.1107	99
cluster_6.pdb ( medoid)	8.6767	15.5589	37.1204	135
cluster_7.pdb ( medoid)	7.76724	16.0932	36.8396	125
cluster_8.pdb ( medoid)	5.94465	16.3172	39.0866	97
cluster_9.pdb ( medoid)	4.6747	14.5464	35.0058	68
cluster_10.pdb ( medoid)	1.09968	11.8216	21.0687	13