CABS-dock: D3_m_m2

Project name: D3_m_m2_H20

Status: done

submitted: 2026-01-13 09:19:10, status changed: 2026-01-14 14:23:30

Project settings

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

Re-submit project

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)	57.9572	2.36382	29.3962	137
cluster_2.pdb ( medoid)	35.0605	1.2835	3.09018	45
cluster_3.pdb ( medoid)	18.6969	8.66454	43.9427	162
cluster_4.pdb ( medoid)	12.9976	1.76956	3.9231	23
cluster_5.pdb ( medoid)	10.8678	8.64943	41.7003	94
cluster_6.pdb ( medoid)	9.87885	11.0337	28.9683	109
cluster_7.pdb ( medoid)	9.63733	14.8381	56.4436	143
cluster_8.pdb ( medoid)	3.76373	19.13	55.4024	72
cluster_9.pdb ( medoid)	2.70738	29.1795	64.2341	79
cluster_10.pdb ( medoid)	2.33814	15.3968	43.3499	36