CABS-dock: 3A-1

Project name: 3A-1

Status: done

submitted: 2026-07-01 13:43:11, status changed: 2026-07-01 20:01:50

Project settings

Protein sequence(s)

RSFIYEPFQIPSGSMMPTLLIGDFILVEKFAYGIKDPIYQKTLIETGHPKRGDIVVFKYPEDPKLDYIKRAVGLPGDKVTYDPVSKELTIQPGCSSGQACENALPVTYSNVEPSDFVQTFSRRNGGEATSGFFEVPKNETKENGIRLSERKETLGDVTHRILTVPIAQDQVGMYYQQPGQQLATWIVPPGQYFMMGDNRDNSADSRYWGFVPEANLVGRATAIWMSFDGLRLSRIGGIH input pdb

Peptide sequence

MLSFAADAAA

Simulation mc cycles

Peptide secondary structure

CCCCCCCCCC

Contact information

90:A 5:PEP 5.0 1.0

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 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)	76.356	1.899	9.42122	145
cluster_2.pdb ( medoid)	22.9311	4.40449	9.12985	101
cluster_3.pdb ( medoid)	20.0289	4.99279	10.6864	100
cluster_4.pdb ( medoid)	16.1256	4.21689	9.95392	68
cluster_5.pdb ( medoid)	14.6387	6.14808	12.87	90
cluster_6.pdb ( medoid)	14.5245	5.1637	11.2576	75
cluster_7.pdb ( medoid)	12.7908	6.25451	11.2699	80
cluster_8.pdb ( medoid)	11.467	5.58122	11.2709	64
cluster_9.pdb ( medoid)	10.1937	5.88599	12.367	60
cluster_10.pdb ( medoid)	8.43663	4.74123	10.679	40