CABS-dock: b553f36a41abe67

Project name: b553f36a41abe67

Status: done

submitted: 2025-10-10 16:39:23, status changed: 2025-10-10 19:28:55

Project settings

Protein sequence(s)	GLPTYKLVVVGDGGVGKSALTIQFFQKIFVPIEDSYLKHTEIDNQWAILDVLDTAGQEEFSAMREQYMRTGDGFLIVYSVTDKASFEHVDRFHQLILRVKDRESFPMILVANKVDLMHLRKITREQGKEMATKHNIPYIETSAKDPPLNVDKAFHDLVRVIRQQ input pdb
Peptide sequence	VSKAAADLMAYCEAHAKEDPL
Simulation mc cycles	50
Peptide secondary structure psipred	CCHHHHHHHHHHHHHHHHCCC

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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 3Dmol (WebGL)

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)	67.965	1.50077	14.7723	102
cluster_2.pdb ( medoid)	37.4852	2.66772	5.62266	100
cluster_3.pdb ( medoid)	26.1091	4.32799	19.1948	113
cluster_4.pdb ( medoid)	18.3746	8.92537	32.39	164
cluster_5.pdb ( medoid)	12.8182	5.85107	12.0197	75
cluster_6.pdb ( medoid)	11.8377	6.92704	21.2626	82
cluster_7.pdb ( medoid)	11.3512	10.924	27.8189	124
cluster_8.pdb ( medoid)	11.1488	10.1356	24.9247	113
cluster_9.pdb ( medoid)	10.3027	6.11491	20.0811	63
cluster_10.pdb ( medoid)	5.28661	12.1061	28.6021	64