CABS-dock: 5-ACE

Project name: 5-ACE

Status: done

submitted: 2025-10-20 09:00:52, status changed: 2025-10-21 11:44:49

Project settings

Protein sequence(s)	DEAEASKFVEEYDRTSQVVWNEYAEANWNYNTNITTETSKILLQKNMQIANHTLKYGTQARKFDVNQLQNTTIKRIIKKVQDLERAALPAQELEEYNKILLDMETTYSVATVCHPNGSCLQLEPDLTNVMATSRKYEDLLWAWEGWRDKAGRAILQFYPKYVELINQAARLNGYVDAGDSWRSMYETPSLEQDLERLFQELQPLYLNLHAYVRRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDLVVPFPSAPSMDTTEAMLKQGWTPRRMFKEADDFFTSLGLLPVPPEFWNKSMLEKPTDGREVVCHASAWDFYNGKDFRIKQCTTVNLEDLVVAHHEMGHIQYFMQYKDLPVALREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSDEHDINFLMKMALDKIAFIPFSYLVDQWRWRVFDGSITKENYNQEWWSLRLKYQGLCPPVPRTQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQFHEALCQAAGHTGPLHKCDIYQSKEAGQRLATAMKLGFSRPWPEAMQLITGQPNMSASAMLSYFKPLLDWLRTENELHGEKLGWP input pdb
Peptide sequence	ASNDEPNKPISQYLKSALEKNLDGLTVNL
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCHHHHHHHHHHHHHCCCCEECC

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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)	39.6036	2.57552	44.034	102
cluster_2.pdb ( medoid)	24.0572	4.3646	39.0349	105
cluster_3.pdb ( medoid)	13.9101	12.7245	38.6053	177
cluster_4.pdb ( medoid)	13.3842	11.9544	39.172	160
cluster_5.pdb ( medoid)	10.6862	11.9781	30.9153	128
cluster_6.pdb ( medoid)	7.14478	12.1767	36.8183	87
cluster_7.pdb ( medoid)	5.19863	18.4664	38.9005	96
cluster_8.pdb ( medoid)	5.00999	19.1617	40.3445	96
cluster_9.pdb ( medoid)	1.62642	20.9049	35.9526	34
cluster_10.pdb ( medoid)	0.788527	19.0228	42.5748	15