CABS-dock: 3IEC_Second

Project name: 3IEC_Second_sequence

Status: done

submitted: 2026-04-19 12:57:27, status changed: 2026-04-19 14:08:33

Project settings

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

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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)	41.7451	2.39549	4.21204	100
cluster_2.pdb ( medoid)	23.9533	4.34179	17.1518	104
cluster_3.pdb ( medoid)	19.1664	7.66967	28.2022	147
cluster_4.pdb ( medoid)	18.6336	5.68865	14.2454	106
cluster_5.pdb ( medoid)	12.6641	7.5805	19.5395	96
cluster_6.pdb ( medoid)	12.346	11.5827	25.2499	143
cluster_7.pdb ( medoid)	9.06836	16.3205	44.7277	148
cluster_8.pdb ( medoid)	5.75386	11.8181	58.5662	68
cluster_9.pdb ( medoid)	4.30244	5.57823	18.7339	24
cluster_10.pdb ( medoid)	4.18947	15.2764	53.3539	64