CABS-dock: e1e6eb713abcb06

Project name: e1e6eb713abcb06

Status: done

submitted: 2025-12-23 09:02:20, status changed: 2025-12-23 23:43:14

Project settings

Protein sequence(s)	EHCNAQMKTGPYKIKNLDITPPKETLQKDVEITIVETDYNENVIIGYKGYYQAYAYNGGSLDPNTRVEETMKTLNVGKEDLLMWSIRQQCEVGEELIDRWGSDSDDCFRDNEGRGQWVKGKELVKRQNNNHFAHHTCNKSWRCGISTSKMYSRLECQDDTDECQVYILDAEGNPINVTVDTVLHRDGVSMILKQKSTFTTRQIKAACLLIKDDKNNPESVTREHCLIDNDIYDLSKNTWNCKFNRCIKRKRAKYTEGDTATKGDLMHIQEELMYENDLLKMNIELMHAHINKLNNMLHDLIVSVAKVDERLIGNLMNNSVSSTFLSDDTFLLMPCTNPPAHTSNCYNNSIYKEGRWSSQCIDFSNYKELAIDDDVEFWIPTIGNTTYHDSWKDASGWSFIAQQKSNLITTMENTKFGG input pdb
Peptide sequence	RWKIFKKIEKVGQNIRDGIVKAGPAV
Simulation mc cycles	50
Peptide secondary structure psipred	CCCHHHHHHHHCHHHHCCHHHCCCCC

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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

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)	28.7042	3.86703	31.6692	111
cluster_2.pdb ( medoid)	14.7585	10.7734	37.1174	159
cluster_3.pdb ( medoid)	12.7108	9.04745	43.44	115
cluster_4.pdb ( medoid)	11.8601	16.3574	59.9942	194
cluster_5.pdb ( medoid)	10.7442	10.5173	43.4653	113
cluster_6.pdb ( medoid)	6.72618	16.0567	36.5683	108
cluster_7.pdb ( medoid)	3.79377	19.5056	36.8941	74
cluster_8.pdb ( medoid)	2.46082	24.3821	54.3409	60
cluster_9.pdb ( medoid)	1.9738	19.2522	42.0108	38
cluster_10.pdb ( medoid)	1.14435	24.4681	48.9504	28