CABS-dock: Cancerppd

Project name: Cancerppd_6844

Status: done

submitted: 2025-05-15 03:07:08, status changed: 2025-05-16 02:13:45

Project settings

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

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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)	30.3694	4.51113	41.8051	137
cluster_2.pdb ( medoid)	23.8589	6.45461	45.0736	154
cluster_3.pdb ( medoid)	14.4836	8.28526	38.9497	120
cluster_4.pdb ( medoid)	13.8242	8.2464	28.3975	114
cluster_5.pdb ( medoid)	12.7391	8.39934	39.0214	107
cluster_6.pdb ( medoid)	11.2058	5.80058	26.8285	65
cluster_7.pdb ( medoid)	10.4827	8.29937	30.9258	87
cluster_8.pdb ( medoid)	9.35707	9.93901	34.2361	93
cluster_9.pdb ( medoid)	5.29883	12.4556	38.4531	66
cluster_10.pdb ( medoid)	3.54963	16.058	38.8713	57