CABS-dock: D3_m_m4

Project name: D3_m_m4_H20

Status: done

submitted: 2026-01-13 09:20:31, status changed: 2026-01-14 14:25:07

Project settings

Protein sequence(s)	GTCVAYGDGHFITFDGDRYSFEGSCEYILAQDYCGDNTTHGTFRIVTENIPCGTTGTTCSKAIKLFVESYELILQEGTFKAVARGPGGDPPYKIRYMGIFLVIETHGMAVSWDRKTSVFIRLHQDYKGRVCGLCGNFDDNAINDFATRSRSVVGDALEFGNSWKLSPSCPDALAPKDPCTANPFRKSWAQKQCSILHGPTFAACRSQVDSTKYYEACVNDACACDSGGDAECFCTAVAAYAQACHDAGLCVSWRTPDTCPLFCDFYNPHGGAEWHYQPCGAPCLKTCRNPSGHCLVDLPGLEGCYPKCPPSQPFFNEDQMKCVAQCGCYDKDGNYYDVGARVPTAENCQSCNCTPSGIQCAHSLEACTCTYEDRTYSYQDVIYNTTDGLGACLIAICGSNGTIIRKAVACPG input pdb
Peptide sequence	GDPPYKIRYMGIFLV
Simulation mc cycles	100
Peptide secondary structure psipred	CCCCCEEEEEEEEEC

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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)	46.9505	3.21615	17.1212	151
cluster_2.pdb ( medoid)	37.0516	2.75292	18.7648	102
cluster_3.pdb ( medoid)	29.7778	2.72015	14.5831	81
cluster_4.pdb ( medoid)	19.4449	3.59991	6.98912	70
cluster_5.pdb ( medoid)	16.757	4.17735	7.61459	70
cluster_6.pdb ( medoid)	16.2658	3.31984	8.79327	54
cluster_7.pdb ( medoid)	15.0267	4.85803	10.3804	73
cluster_8.pdb ( medoid)	9.6385	3.32002	7.39659	32
cluster_9.pdb ( medoid)	6.22146	5.62569	18.9584	35
cluster_10.pdb ( medoid)	6.19749	5.16338	16.2634	32