CABS-dock: Docking project

Project name: Docking project

Status: done

submitted: 2025-04-18 07:08:16, status changed: 2025-04-18 12:08:33

Project settings

Protein sequence(s)	MASAPPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSTTFNASFLLKLQKWTQKKEKGKKLSRMKMLLKHLTLANLLETLLVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLAMKSNGKLGQSMIGLAWLLSSILAGPQLYIFRMIHLADSSGQTDGFSQCVTHCSFPQWWHQAFYNFFTFSCLFIIPLLIMLICNAKIIFTLTQVLHQDPHKLQLNQSKNNIPRARLRTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRVSDPVNHFFFLFALLNPCFDPLIYGYFSL input pdb
Peptide sequence	SFGDGFADF
Simulation mc cycles	50
Peptide secondary structure	CCCCHHHHC

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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)	36.8146	5.51411	25.7461	203
cluster_2.pdb ( medoid)	33.1659	6.75393	19.3558	224
cluster_3.pdb ( medoid)	29.057	4.40514	20.0337	128
cluster_4.pdb ( medoid)	26.2793	3.3867	14.2474	89
cluster_5.pdb ( medoid)	15.8493	7.76061	24.6615	123
cluster_6.pdb ( medoid)	12.5694	5.8873	14.7444	74
cluster_7.pdb ( medoid)	7.90381	8.47692	31.236	67
cluster_8.pdb ( medoid)	5.41497	12.1884	30.1907	66
cluster_9.pdb ( medoid)	3.17825	4.40493	9.23812	14
cluster_10.pdb ( medoid)	0.610089	19.6693	40.7624	12