CABS-dock: Cancerppd

Project name: Cancerppd_6872

Status: done

submitted: 2025-05-15 03:08:01, status changed: 2025-05-16 07:24:32

Project settings

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

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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)	23.2037	2.97367	17.9837	69
cluster_2.pdb ( medoid)	20.9054	9.5669	58.7364	200
cluster_3.pdb ( medoid)	16.6943	5.15145	47.6515	86
cluster_4.pdb ( medoid)	16.1449	8.60951	45.0544	139
cluster_5.pdb ( medoid)	15.094	10.534	48.3988	159
cluster_6.pdb ( medoid)	12.9292	3.55785	14.1813	46
cluster_7.pdb ( medoid)	9.75206	16.4068	60.3236	160
cluster_8.pdb ( medoid)	4.37709	5.48309	20.5893	24
cluster_9.pdb ( medoid)	3.96359	19.9314	50.9467	79
cluster_10.pdb ( medoid)	1.42752	26.6197	57.5514	38