CABS-dock: D4DN63

Project name: D4DN63_MurB

Status: done

submitted: 2026-06-10 05:57:42, status changed: 2026-06-10 12:26:03

Project settings

Protein sequence(s)	SLELQEHCSLKPYNTFGIDVRARLLAHARDEADVREALALARERGLPLLVIGGGSNLLLTRDVEALVLRMASQGRRIVSDAADSVLVEAEAGEAWDPFVQWSLERGLAGLENLSLIPGTVGAAPMQNIGAYGVELKDVFDSLTALDRQDGTLREFDRQACRFGYRDSLFKQEPDRWLILRVRLRLTRRERLHLDYGPVRQRLEEEGIASPTARDVSRVICAIRREKLPDPAVLGNAGSFFKNPLVDATQAERLRQAFPDLVGYPQADGRLKLAAGWLIDKGGWKGFRDGPVGVHAQQALVLVNHGGATGAQVRALAERIQEDVRRRFGVELEPEPNLY input pdb
Peptide sequence	MEGEPE
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCC

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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

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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)	28.6345	5.41305	24.8855	155
cluster_2.pdb ( medoid)	25.6827	0.661924	3.20218	17
cluster_3.pdb ( medoid)	21.7469	5.93188	26.8314	129
cluster_4.pdb ( medoid)	21.6722	5.86005	34.4401	127
cluster_5.pdb ( medoid)	20.9359	6.49601	34.0483	136
cluster_6.pdb ( medoid)	18.7342	7.68649	39.9847	144
cluster_7.pdb ( medoid)	18.5451	3.45104	23.2028	64
cluster_8.pdb ( medoid)	15.4471	2.52474	6.8088	39
cluster_9.pdb ( medoid)	10.7135	5.41373	13.3776	58
cluster_10.pdb ( medoid)	10.0539	13.0298	29.9078	131