CABS-dock: 45e1ce7b3f63b57

Project name: 45e1ce7b3f63b57

Status: done

submitted: 2025-04-22 12:15:52, status changed: 2025-04-22 18:52:01

Project settings

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

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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)	31.7463	4.12646	17.5406	131
cluster_2.pdb ( medoid)	23.1231	4.28143	19.8307	99
cluster_3.pdb ( medoid)	20.4729	4.05414	16.3907	83
cluster_4.pdb ( medoid)	20.2546	7.55385	24.4736	153
cluster_5.pdb ( medoid)	18.8034	8.29635	30.6246	156
cluster_6.pdb ( medoid)	18.349	5.34089	16.5919	98
cluster_7.pdb ( medoid)	17.0314	5.0495	12.4121	86
cluster_8.pdb ( medoid)	9.22055	10.7369	26.8102	99
cluster_9.pdb ( medoid)	4.09869	10.0032	23.3162	41
cluster_10.pdb ( medoid)	3.56269	15.1571	33.344	54