CABS-dock: EKSRWSGSHQF-5C9C

Project name: EKSRWSGSHQF-5C9C

Status: done

submitted: 2025-12-16 00:39:15, status changed: 2025-12-16 20:51:05

Project settings

Protein sequence(s)	DWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQQILASIELLARSDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNNIFLHEDLTVKIGDFGLSILWMAPEVIRMNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARS input pdb
Peptide sequence	EKSRWSGSHQF
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCC

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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

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)	37.7074	2.04204	7.68447	77
cluster_2.pdb ( medoid)	26.5885	3.91146	11.92	104
cluster_3.pdb ( medoid)	20.1903	6.19109	35.4358	125
cluster_4.pdb ( medoid)	19.57	11.1906	52.0026	219
cluster_5.pdb ( medoid)	16.9819	7.47857	37.3678	127
cluster_6.pdb ( medoid)	9.88958	4.75247	31.3322	47
cluster_7.pdb ( medoid)	9.02285	15.9595	56.0451	144
cluster_8.pdb ( medoid)	6.45932	7.43112	16.2569	48
cluster_9.pdb ( medoid)	5.31091	7.71996	21.1971	41
cluster_10.pdb ( medoid)	4.37946	15.527	44.6216	68