CABS-dock: Phub

Project name: Phub_136

Status: done

submitted: 2025-05-15 01:52:36, status changed: 2025-05-16 02:40:40

Project settings

Protein sequence(s)	AQIDLNITCRFAGVFHVEKNGRYSISRTEAADLCKAFNSTLPTMAQMEKALSIGFETCRYGFIEGHVVIPRIHPNSICAANNTGVYILTSNTSQYDTYCFNASAPPEEDCTSVTDLPNAFDGPITITIVNRDGTRYVQKGEYRTNPEDIYAQIDLNITCRFAGVFHVEKNGRYSISRTEAADLCKAFNSTLPTMAQMEKALSIGFETCRYGFIEGHVVIPRIHPNSICAANNTGVYILTSNTSQYDTYCFNASAPPEEDCTSVTDLPNAFDGPITITIVNRDGTRYVQKGEYRTNPEDIY input pdb
Peptide sequence	INLKALAALAKKIL
Simulation mc cycles	200
Peptide secondary structure psipred	CCHHHHHHHHHHHC

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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)	31.2323	4.0663	18.2717	127
cluster_2.pdb ( medoid)	21.1105	4.73697	15.9858	100
cluster_3.pdb ( medoid)	17.2593	8.86477	32.921	153
cluster_4.pdb ( medoid)	11.914	9.06498	25.5068	108
cluster_5.pdb ( medoid)	9.7261	10.7957	34.6753	105
cluster_6.pdb ( medoid)	9.13968	9.3001	21.6439	85
cluster_7.pdb ( medoid)	8.26361	4.96151	12.397	41
cluster_8.pdb ( medoid)	6.48287	13.7285	45.1148	89
cluster_9.pdb ( medoid)	5.03969	11.5087	45.5154	58
cluster_10.pdb ( medoid)	3.38089	10.3523	18.5168	35