CABS-dock: 7461bb34ba4a808

Project name: 7461bb34ba4a808

Status: done

submitted: 2025-04-15 11:32:05, status changed: 2025-04-15 19:44:50

Project settings

Protein sequence(s)	MQMADAATIATMNKAAGGDKLAELFSLVPDLLEAANTSGNASLQLPDLWWELGLELPDGAPPGHPPGSGGAESADTEARVRILISVVYWVVCALGLAGNLLVLYLMKSMQGWRKSSINLFVTNLALTDFQFVLTLPFWAVENALDFKWPFGKAMCKIVSMVTSMNMYASVFFLTAMSVTRYHSVASALKSHRTRGHGRGDCCGRSLGDSCCFSAKALCVWIWALAALASLPSAIFSTTVKVMGEELCLVRFPDKLLGRDRQFWLGLYHSQKVLLGFVLPLGIIILCYLLLVRFIADRRAAGTKGGAAVAGGRPTGASARRLSKVTKSVTIVVLSFFLCWLPNQALTTWSILIKFNAVPFSQEYFLCQVYAFPVSVCLAHSNSCLNPVLYCLVRREFRKALKSLLWRIASPSITSMRPFTATTKPEHEDQGLQAPAPPHAAAEPDLLYYPPGVVVYSGGRYDLLPSSSAY input pdb
Peptide sequence	RLCGREFIRAVIFTCGGSRW
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCHHHHHHHEECCCCCCC

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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)	117.561	0.306224	1.77047	36
cluster_2.pdb ( medoid)	39.9799	2.72637	19.7032	109
cluster_3.pdb ( medoid)	23.0437	2.60374	12.6484	60
cluster_4.pdb ( medoid)	20.4705	5.71555	16.4495	117
cluster_5.pdb ( medoid)	18.5134	9.5066	17.5622	176
cluster_6.pdb ( medoid)	12.5175	7.18991	18.2201	90
cluster_7.pdb ( medoid)	12.0092	8.41022	20.1768	101
cluster_8.pdb ( medoid)	8.79915	9.31908	17.9101	82
cluster_9.pdb ( medoid)	8.60607	11.6197	24.8662	100
cluster_10.pdb ( medoid)	4.64017	6.24977	16.0573	29