CABS-dock: D3_m_m3

Project name: D3_m_m3_H20

Status: done

submitted: 2026-01-13 09:19:47, status changed: 2026-01-14 14:13:01

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)	46.7682	2.24512	6.36131	105
cluster_2.pdb ( medoid)	45.5007	2.74721	8.6217	125
cluster_3.pdb ( medoid)	31.7704	3.36791	18.4111	107
cluster_4.pdb ( medoid)	23.5933	4.28088	26.3836	101
cluster_5.pdb ( medoid)	19.1019	4.71158	25.4316	90
cluster_6.pdb ( medoid)	17.5361	3.87771	7.01692	68
cluster_7.pdb ( medoid)	16.5204	3.5108	8.06996	58
cluster_8.pdb ( medoid)	10.5426	7.20888	15.9331	76
cluster_9.pdb ( medoid)	4.88121	7.78495	14.5152	38
cluster_10.pdb ( medoid)	4.41454	7.24877	19.644	32