CABS-dock: 3IEC_Third

Project name: 3IEC_Third_sEQUENCE

Status: done

submitted: 2026-04-19 12:56:46, status changed: 2026-04-19 14:07:32

Project settings

Protein sequence(s)	HIGNYRLLKTIGAKVKLARHILTGKEVAVKIIDKTQLNSSSLQKLFREVRIMKVLNHPNIVKLFEVIETEKTLYLVMEYASGGEVFDYLVAHGWMKEKEARAKFRQIVSAVQYCHQKFIVHRDLKAENLLLDADMNIKIADFGFSNEFTFGNKLDTFCGSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKELRERVLRGKYRIPFYMSTDCENLLKKFLILNPSKRGTLEQIMKDRWMNVGHEDDELKPYVEPLPDYKDPRRTELMVSMGYTREEIQDSLVGQRYNEVMATYLLLGY input pdb
Peptide sequence	GLLKKIKWLL
Simulation mc cycles	5
Peptide secondary structure psipred	CHHHHHHHHC

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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)	61.4374	1.62767	3.87872	100
cluster_2.pdb ( medoid)	54.4924	0.972613	2.2355	53
cluster_3.pdb ( medoid)	20.4189	1.37128	5.99323	28
cluster_4.pdb ( medoid)	20.1833	5.00414	22.9241	101
cluster_5.pdb ( medoid)	19.963	8.31538	30.9856	166
cluster_6.pdb ( medoid)	18.3441	6.75968	16.8779	124
cluster_7.pdb ( medoid)	18.0702	1.05146	1.67076	19
cluster_8.pdb ( medoid)	15.4413	8.67804	32.18	134
cluster_9.pdb ( medoid)	13.4351	5.80571	25.6898	78
cluster_10.pdb ( medoid)	8.41263	11.768	32.5771	99