CABS-dock: 77f8ad4f0620303

Project name: 77f8ad4f0620303

Status: done

submitted: 2025-12-06 18:05:46, status changed: 2025-12-07 06:13:39

Project settings

Protein sequence(s)	TTYADFIASGRTGRRNAIHDVKEFLAKAKEDFLKKWETPSQNTAQLDQFDRIKTLGTGSFGRVMLVKHKESGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVAGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFTEF input pdb
Peptide sequence	GRRNAIH
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCC

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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)	42.1928	2.63078	25.1541	111
cluster_2.pdb ( medoid)	26.0682	4.83348	30.0584	126
cluster_3.pdb ( medoid)	15.8007	8.03764	34.7124	127
cluster_4.pdb ( medoid)	14.7653	7.92398	33.2981	117
cluster_5.pdb ( medoid)	11.6294	6.36319	25.5791	74
cluster_6.pdb ( medoid)	10.1616	8.66002	37.6033	88
cluster_7.pdb ( medoid)	7.88458	13.5708	35.1463	107
cluster_8.pdb ( medoid)	7.21438	17.4651	56.7557	126
cluster_9.pdb ( medoid)	5.18328	12.9262	44.1815	67
cluster_10.pdb ( medoid)	3.95928	14.3966	36.1875	57