CABS-dock: 19fa87549143f14

Project name: 19fa87549143f14

Status: done

submitted: 2025-12-29 11:02:28, status changed: 2025-12-29 14:09:03

Project settings

Protein sequence(s)	MVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPAMVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPA input pdb
Peptide sequence	LPPTDESIKYTIYNSTGIQIGAYNYMEIGG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCEEEECCCCEEECCCCEECCCC

Re-submit project

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)	21.9158	4.83669	34.3398	106
cluster_2.pdb ( medoid)	16.2707	4.91681	24.5369	80
cluster_3.pdb ( medoid)	12.5298	10.7743	35.1186	135
cluster_4.pdb ( medoid)	12.1046	14.8704	42.9974	180
cluster_5.pdb ( medoid)	11.0112	4.54084	29.6837	50
cluster_6.pdb ( medoid)	10.4095	9.41444	38.9221	98
cluster_7.pdb ( medoid)	9.9728	12.8349	33.7526	128
cluster_8.pdb ( medoid)	7.52432	11.1638	32.9859	84
cluster_9.pdb ( medoid)	6.72773	12.9316	34.7467	87
cluster_10.pdb ( medoid)	3.47823	14.9501	37.3587	52