CABS-dock: 959a099693d5d95

Project name: 959a099693d5d95

Status: done

submitted: 2025-06-21 06:15:57, status changed: 2025-06-21 21:24:33

Project settings

Protein sequence(s)	APPVRVLPERIHLHELDPNPPGPESDYRTRWEIPIGLRETDLTPAHCHMHTNPHLLIFGAAKSGKTTIAHAIARAICARNSPQQVRFMLADYRSGLLDAVPDTHLLGAGAINRNSASLDEAVQALAVNLKKRLPPTDLTTAQLRSRSWWSGFDVVLLVDDWHMIVGAAGGMPPMAPLAPLLPAAADIGLHIIVTCQMSQAYKATMDKFVGAAFGSGAPTMFLSGEKQEFPSSEFKVKRRPPGQAFLVSPDGKEVIQAPYIEAPPVRVLPERIHLHELDPNPPGPESDYRTRWEIPIGLRETDLTPAHCHMHTNPHLLIFGAAKSGKTTIAHAIARAICARNSPQQVRFMLADYRSGLLDAVPDTHLLGAGAINRNSASLDEAVQALAVNLKKRLPPTDLTTAQLRSRSWWSGFDVVLLVDDWHMIVGAAGGMPPMAPLAPLLPAAADIGLHIIVTCQMSQAYKATMDKFVGAAFGSGAPTMFLSGEKQEFPSSEFKVKRRPPGQAFLVSPDGKEVIQAPYIE input pdb
Peptide sequence	EISTNIRQAGVQYSRADEEQQQALSSQMGF
Simulation mc cycles	50
Peptide secondary structure psipred	CCCHHHHHHCCCCCCCCHHHHHHHHHHCCC

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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

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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)	52.8097	1.93147	23.0996	102
cluster_2.pdb ( medoid)	18.6767	5.40779	26.9009	101
cluster_3.pdb ( medoid)	16.3422	8.87273	24.6314	145
cluster_4.pdb ( medoid)	16.0273	7.48721	38.7985	120
cluster_5.pdb ( medoid)	14.4781	6.56163	15.2985	95
cluster_6.pdb ( medoid)	11.8062	9.06307	34.2809	107
cluster_7.pdb ( medoid)	8.96117	8.36945	19.1747	75
cluster_8.pdb ( medoid)	8.20849	11.9389	21.9683	98
cluster_9.pdb ( medoid)	4.18195	8.60842	19.4914	36
cluster_10.pdb ( medoid)	1.28011	16.4048	30.3717	21