CABS-dock: ca22b4d86825b76

Project name: ca22b4d86825b76

Status: done

submitted: 2026-06-17 04:52:11, status changed: 2026-06-17 17:21:58

Project settings

Protein sequence(s)	MDKFRVQGPTKLQGEVTISGAKNAALPILFAALLAEEPVEIQNVPKLKDVDTSMKLLSQLGAKVERNGSVHIDARDVNVFCAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGCTIGARPVDLHISGLEQLGATIKLEEGYVKASVDGRLKGAHIVMDKVSVGATVTIMCAATLAEGTTIIENAAREPEIVDTANFLITLGAKISGQGTDRIVIEGVERLGGGVYRVLPDRIETGTFLVAAAISRGKIICRNAQPDTLDAVLAKLRDAGADIEVGEDWISLDMHGKRPKAVNVRTAPHPAFPTDMQAQFTLLNLVAEGTGFITETVFENRFMHVPELSRMGAHAEIESNTVICHGVEKLSGAQVMATDLRASASLVLAGCIAEGTTVVDRIYHIDRGYERIEDKLRALGANIERVKG input pdb
Peptide sequence	NFLPPLQPAVMVPFLQPK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCEECCCCCCC

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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

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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)	19.4477	6.37606	18.1669	124
cluster_2.pdb ( medoid)	17.7823	9.78499	34.3534	174
cluster_3.pdb ( medoid)	17.4063	10.6858	25.8895	186
cluster_4.pdb ( medoid)	15.0463	8.24121	38.0568	124
cluster_5.pdb ( medoid)	14.0671	11.2319	28.212	158
cluster_6.pdb ( medoid)	6.20056	4.83827	15.0995	30
cluster_7.pdb ( medoid)	4.94882	14.3469	30.2113	71
cluster_8.pdb ( medoid)	4.41461	7.70169	24.0355	34
cluster_9.pdb ( medoid)	3.69456	16.2401	33.3693	60
cluster_10.pdb ( medoid)	3.35839	11.6127	24.7481	39