CABS-dock: 80897369a44db05

Project name: 80897369a44db05

Status: done

submitted: 2025-12-22 07:03:12, status changed: 2025-12-22 13:58:47

Project settings

Protein sequence(s)	MHVAQPAVVLASSRGIASFVCEYASPGKATEVRVTVLRQADSQVTEVCAATYMMGNELTFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYLGIGNGTQIYVIDPEPCPMHVAQPAVVLASSRGIASFVCEYASPGKATEVRVTVLRQADSQVTEVCAATYMMGNELTFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYLGIGNGTQIYVIDPEPCPDS input pdb
Peptide sequence	AKRYSEIDTVLTPTGWV
Simulation mc cycles	50
Peptide secondary structure psipred	CCCHHHCCEEECCCCCC

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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)	22.5559	7.09349	25.398	160
cluster_2.pdb ( medoid)	20.9283	8.07518	30.6258	169
cluster_3.pdb ( medoid)	14.6618	5.52457	27.5294	81
cluster_4.pdb ( medoid)	13.6056	11.0984	35.572	151
cluster_5.pdb ( medoid)	7.85313	6.23955	13.7368	49
cluster_6.pdb ( medoid)	5.62004	17.7935	34.5448	100
cluster_7.pdb ( medoid)	5.56241	11.8654	28.6705	66
cluster_8.pdb ( medoid)	5.46101	13.9168	33.1681	76
cluster_9.pdb ( medoid)	4.96298	12.8955	34.2916	64
cluster_10.pdb ( medoid)	4.74343	17.7087	39.0933	84