CABS-dock: p42CC

Project name: p42CC

Status: done

submitted: 2025-12-22 15:14:50, status changed: 2025-12-23 02:35:24

Project settings

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

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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)	22.6547	3.57541	20.1295	81
cluster_2.pdb ( medoid)	21.5568	5.01002	16.057	108
cluster_3.pdb ( medoid)	19.3644	12.2906	37.8579	238
cluster_4.pdb ( medoid)	18.0612	8.3051	34.9476	150
cluster_5.pdb ( medoid)	14.0329	3.27802	12.3301	46
cluster_6.pdb ( medoid)	10.9956	9.18548	36.6677	101
cluster_7.pdb ( medoid)	9.91073	14.0252	36.2314	139
cluster_8.pdb ( medoid)	8.76108	5.02221	12.549	44
cluster_9.pdb ( medoid)	7.52211	6.11531	12.4441	46
cluster_10.pdb ( medoid)	5.63407	8.3421	19.8186	47