CABS-dock: f983043ded4c9cb

Project name: f983043ded4c9cb

Status: done

submitted: 2025-04-22 12:13:47, status changed: 2025-04-22 18:21:45

Project settings

Protein sequence(s)	AESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG input pdb
Peptide sequence	GGVQAGQVAQQFHEG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCHHHHHHHHHCC

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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)	48.0296	2.58174	22.0691	124
cluster_2.pdb ( medoid)	30.0877	4.81924	12.5871	145
cluster_3.pdb ( medoid)	25.2856	4.3503	23.4802	110
cluster_4.pdb ( medoid)	22.8635	5.02985	27.5488	115
cluster_5.pdb ( medoid)	18.3358	6.10827	23.7275	112
cluster_6.pdb ( medoid)	14.6883	7.96555	19.4677	117
cluster_7.pdb ( medoid)	13.3358	7.4236	15.9631	99
cluster_8.pdb ( medoid)	9.91729	10.1842	25.3983	101
cluster_9.pdb ( medoid)	3.58559	10.3191	22.4905	37
cluster_10.pdb ( medoid)	3.47599	11.5075	20.4009	40