CABS-dock: 1a5825ecdbe6f47

Project name: 1a5825ecdbe6f47

Status: done

submitted: 2026-02-26 09:53:44, status changed: 2026-02-27 18:27:36

Project settings

Protein sequence(s)	TFQERLLAFERKHVITPEAHVTLAKQLAGDIALELQAYLRSKFPELPFGALVPGGPLYDGLQAGTAEHVRLLAPLELEPGLWSLVPGVDTVAAEPRCWAVRRTQLEFHPRGCSPWDRFLVGGYLSSRVLLELLRKALSASVNWPAIGSLLGCLIWPDVASEELLLKVQHECLEFTLAVLMVVPGASTDDRLLLAWPLEGLASNLWLQDLYPVETARLRALDDQDAGTRRRLLLLLCGICRGHPALVRLGWSHLTQVVLHLGEEEVAWTEEALGERFLQALEFLVGSLEQASLPCHFNPSVNLLGNFREEEIDDIGYVLYSGLQVPESLFTFQERLLAFERKHVITPEAHVTLAKQLAGDIALELQAYLRSKFPELPFGALVPGGPLYDGLQAGTAEHVRLLAPLELEPGLWSLVPGVDTVAAEPRCWAVRRTQLEFHPRGCSPWDRFLVGGYLSSRVLLELLRKALSASVNWPAIGSLLGCLIWPDVASEELLLKVQHECLEFTLAVLMVVPGASTDDRLLLAWPLEGLASNLWLQDLYPVETARLRALDDQDAGTRRRLLLLLCGICRGHPALVRLGWSHLTQVVLHLGEEEVAWTEEALGERFLQALEFLVGSLEQASLPCHFNPSVNLLGNFREEEIDDIGYVLYSGLQVPESLF input pdb
Peptide sequence	NLKDTMTKRY
Simulation mc cycles	50
Peptide secondary structure psipred	CHHHCCCCCC

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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)	27.4967	6.00072	22.7842	165
cluster_2.pdb ( medoid)	20.8866	4.88353	39.8518	102
cluster_3.pdb ( medoid)	19.7314	6.89257	15.4624	136
cluster_4.pdb ( medoid)	11.6107	6.54569	12.8931	76
cluster_5.pdb ( medoid)	9.17178	11.012	31.3337	101
cluster_6.pdb ( medoid)	9.16277	11.132	35.586	102
cluster_7.pdb ( medoid)	3.53775	10.176	23.9678	36
cluster_8.pdb ( medoid)	3.43776	6.9813	12.2627	24
cluster_9.pdb ( medoid)	3.24925	11.3873	35.4435	37
cluster_10.pdb ( medoid)	1.00043	20.9911	43.2697	21