CABS-dock: 3IEC_third

Project name: 3IEC_third_Sequence

Status: done

submitted: 2026-04-19 12:58:04, status changed: 2026-04-19 14:20:29

Project settings

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

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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)	31.3238	3.19246	5.39809	100
cluster_2.pdb ( medoid)	28.4382	3.51639	11.1033	100
cluster_3.pdb ( medoid)	17.3092	5.77726	11.413	100
cluster_4.pdb ( medoid)	13.7843	9.72124	56.4479	134
cluster_5.pdb ( medoid)	10.0778	11.1135	34.5031	112
cluster_6.pdb ( medoid)	9.7668	12.7985	53.3577	125
cluster_7.pdb ( medoid)	9.46707	13.2037	39.255	125
cluster_8.pdb ( medoid)	7.13366	12.3359	30.0931	88
cluster_9.pdb ( medoid)	4.42047	13.7994	47.3183	61
cluster_10.pdb ( medoid)	3.20882	17.1403	33.5329	55