CABS-dock: p22CF

Project name: p22CF

Status: done

submitted: 2025-12-22 15:16:01, status changed: 2025-12-23 07:55:37

Project settings

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

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)	27.1449	3.61026	27.8588	98
cluster_2.pdb ( medoid)	21.5687	5.09998	14.6843	110
cluster_3.pdb ( medoid)	17.0947	6.20075	27.1497	106
cluster_4.pdb ( medoid)	15.5221	6.378	20.3429	99
cluster_5.pdb ( medoid)	11.0754	6.77179	14.6054	75
cluster_6.pdb ( medoid)	9.54324	5.44888	14.381	52
cluster_7.pdb ( medoid)	7.30632	8.8964	22.0376	65
cluster_8.pdb ( medoid)	5.90557	5.75728	10.6541	34
cluster_9.pdb ( medoid)	5.72445	15.3727	37.2489	88
cluster_10.pdb ( medoid)	4.71506	15.4823	48.6087	73