CABS-dock: de3db782df5e0b4

Project name: de3db782df5e0b4

Status: done

submitted: 2026-06-13 14:15:22, status changed: 2026-06-13 22:08:29

Project settings

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

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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)	67.2673	0.877098	4.27051	59
cluster_2.pdb ( medoid)	55.5039	0.774721	1.2572	43
cluster_3.pdb ( medoid)	54.2454	1.86191	12.0148	101
cluster_4.pdb ( medoid)	22.4096	7.45216	31.7147	167
cluster_5.pdb ( medoid)	22.2668	3.81733	15.5459	85
cluster_6.pdb ( medoid)	20.5507	7.98025	21.3594	164
cluster_7.pdb ( medoid)	16.7075	10.9532	34.2457	183
cluster_8.pdb ( medoid)	9.82814	8.75038	34.7011	86
cluster_9.pdb ( medoid)	5.59127	9.65791	27.0345	54
cluster_10.pdb ( medoid)	4.17759	13.8836	37.327	58