CABS-dock: orcinus

Project name: orcinus

Status: done

submitted: 2026-03-14 13:29:46, status changed: 2026-03-14 22:02:33

Project settings

Protein sequence(s)	GEVASVPLTNYLDSQYFGKIYLGTPPQEFTVLFDTGSSDFWVPSIYCKSNACKNHQRFDPRKSSTFQNLGKPLSIHYGTGSMQGILGYDTVTVSNIVDIQQTVGLSTQEPGDVFTYAEFDGILGMAYPSLASEYSIPVFDNMMNRHLVAQDLFSVYMDRNGQESMLTLGAINPSYYTGSLHWVPVTVQQYWQFTVDSVTISGVVVACEGGCQAILDTGTSKLVGPSSDILNIQQAIGATQNQYGEFDIDCDNLSYMPTVVFEINGKMYPLTPSAYTSQDQGFCTSGFQSENHSQKWILGDVFIREYYSVFDRANNLVGLAKAI input pdb
Peptide sequence	HHPHPRPSFLAIPPKK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCCC

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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)	33.9169	6.04418	19.1687	205
cluster_2.pdb ( medoid)	27.7801	2.05183	6.9369	57
cluster_3.pdb ( medoid)	21.6605	7.29438	37.5958	158
cluster_4.pdb ( medoid)	20.1091	6.76309	19.3011	136
cluster_5.pdb ( medoid)	19.9093	6.32869	33.5135	126
cluster_6.pdb ( medoid)	12.6675	8.28895	25.7539	105
cluster_7.pdb ( medoid)	10.2072	4.99648	12.3098	51
cluster_8.pdb ( medoid)	4.38741	14.8151	37.3527	65
cluster_9.pdb ( medoid)	3.41945	15.2071	46.2407	52
cluster_10.pdb ( medoid)	2.6195	17.1788	38.6411	45