CABS-dock: a9496e5abaf92f3

Project name: a9496e5abaf92f3

Status: done

submitted: 2026-04-20 16:35:29, status changed: 2026-04-20 23:03:04

Project settings

Protein sequence(s)	MKTISVVTLLCVLPAVVYSTCTVPTMNNAKLTSTETSFNDKQKVTFTCDSGYHSLDPNAVCETDKWKYENPCKKMCTVSDYVSELYDKPLYEVNSTMTLSCNGETKYFRCEEKNGNTSWNDTVTCPNAECQPLQLEHGSCQPVKEKYSFGEYMTINCDVGYEVIGVSYISCTANSWNVIPSCQQKCDIPSLSNGLISGSTFSIGGVIHLSCKSGFTLTGSPSSTCIDGKWNPILPTCVRSNEEFDPVDDGPDDETDLSKLSKDVVQYEQEIESLEATYHIIIMALTIMGVIFLISIIVLVCSCDKNNDQYKFHKLLP input pdb
Peptide sequence	RRKKLLPAFLLALLAL
Simulation mc cycles	50
Peptide secondary structure psipred	CCHHHHHHHHHHHHCC

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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)	43.7818	2.30689	25.73	101
cluster_2.pdb ( medoid)	21.8868	5.25432	16.1237	115
cluster_3.pdb ( medoid)	20.0672	6.1294	29.9828	123
cluster_4.pdb ( medoid)	17.6054	6.02087	37.9158	106
cluster_5.pdb ( medoid)	16.486	6.55102	39.3316	108
cluster_6.pdb ( medoid)	7.31578	9.0216	20.9314	66
cluster_7.pdb ( medoid)	5.51212	10.7037	22.7981	59
cluster_8.pdb ( medoid)	4.32267	10.4102	39.8922	45
cluster_9.pdb ( medoid)	3.7743	14.0423	41.0773	53
cluster_10.pdb ( medoid)	2.38073	10.0809	17.9495	24