CABS-dock: af4742067149b7f

Project name: af4742067149b7f

Status: done

submitted: 2025-12-27 05:57:07, status changed: 2025-12-28 18:45:40

Project settings

Protein sequence(s)	HGYVSAVENGVAEGRVTLCKFAANGTGEKNTHCGAIQYEPQSVEGPDGFPVTGPRDGKIASAESALAAALDEQTADRWVKRPIQAGPQTFEWTFTANHVTKDWKYYITKPNWNPNQPLSRDAFDLNPFCVVEGNMVQPPKRVSHECIVPEREGYQVILAVWDVGDTAASFYNVIDVKFDPDWNPAGQIIPSMDLSIGDTVYTRVFDNDGENPAYRTELKIDSETLTKANQWSYALATKINQTQKQQRAGQLNGDQFVPVYGTNPIYLKEGSGLKSVEIGYQIEAPQPEYSLTVSGLAKEYEIGEQPIQLDLTLEAQGEMSAELTVYNHHQKPLASWSQAMTDGELKSITLELSEAKAGHHMLVSRIKDRDGNLQDQQTLDFMLVEHGYVSAVENGVAEGRVTLCKFAANGTGEKNTHCGAIQYEPQSVEGPDGFPVTGPRDGKIASAESALAAALDEQTADRWVKRPIQAGPQTFEWTFTANHVTKDWKYYITKPNWNPNQPLSRDAFDLNPFCVVEGNMVQPPKRVSHECIVPEREGYQVILAVWDVGDTAASFYNVIDVKFDPDWNPAGQIIPSMDLSIGDTVYTRVFDNDGENPAYRTELKIDSETLTKANQWSYALATKINQTQKQQRAGQLNGDQFVPVYGTNPIYLKEGSGLKSVEIGYQIEAPQPEYSLTVSGLAKEYEIGEQPIQLDLTLEAQGEMSAELTVYNHHQKPLASWSQAMTDGELKSITLELSEAKAGHHMLVSRIKDRDGNLQDQQTLDFMLVE input pdb
Peptide sequence	GYNLDLKSPKTFDEKLQWLKLYNRK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCHHHHHHHHHHHCCC

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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

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)	43.8292	2.12188	19.4154	93
cluster_2.pdb ( medoid)	25.1798	3.81257	7.58162	96
cluster_3.pdb ( medoid)	13.7796	8.27311	41.294	114
cluster_4.pdb ( medoid)	13.0304	7.98131	27.0945	104
cluster_5.pdb ( medoid)	12.9845	7.93256	20.8834	103
cluster_6.pdb ( medoid)	12.5547	12.6646	40.9285	159
cluster_7.pdb ( medoid)	10.8946	15.9712	38.033	174
cluster_8.pdb ( medoid)	10.6269	9.50418	20.2903	101
cluster_9.pdb ( medoid)	3.44085	10.1719	37.1317	35
cluster_10.pdb ( medoid)	2.39852	8.75539	27.324	21