CABS-dock: 2CCp1

Project name: 2CCp1

Status: done

submitted: 2025-12-29 05:22:24, status changed: 2025-12-29 15:52:55

Project settings

Protein sequence(s)	SKHRIEPVCLIIRGSPGTGKSLATGIIARAIADKYHSSVYSLPPDPDHFDGYKQQVVTVMDDLCQNPDGKDMSLFCQMVSTVDFIPPMASLEEKGVSFTSKFVIASTNASNIIVPTVSDSDAIRRRFYMDCDIEVTDSYKTELGRLDAGRAAKLCSENNTANFKRCSPLVCGKAIQLRDRKSKVRYSVDTVVSELIREYNSRSAIGNTIEALFQ input pdb
Peptide sequence	LKICRVNRNSGS
Simulation mc cycles	100
Peptide secondary structure psipred	CCEEEECCCCCC

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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)	21.9186	11.269	41.4597	247
cluster_2.pdb ( medoid)	21.4178	3.50176	21.0944	75
cluster_3.pdb ( medoid)	17.6707	2.37682	14.8959	42
cluster_4.pdb ( medoid)	13.9631	8.66567	35.5442	121
cluster_5.pdb ( medoid)	11.6837	4.70742	12.0089	55
cluster_6.pdb ( medoid)	11.4005	7.54351	21.9937	86
cluster_7.pdb ( medoid)	10.2325	9.08869	36.3836	93
cluster_8.pdb ( medoid)	9.9999	12.8001	37.1868	128
cluster_9.pdb ( medoid)	7.09221	15.228	33.8644	108
cluster_10.pdb ( medoid)	2.80912	16.0193	42.2187	45