CABS-dock: ActivinA_Design

Project name: ActivinA_Design_3

Status: done

submitted: 2026-02-20 15:26:23, status changed: 2026-02-20 17:24:39

Project settings

Protein sequence(s)	RECIYYNANWELERTNQSGLERCEGEQDKRLHCYASWRNSSGTIELVKKGCWLDDFNCYDRQECVATEENPQVYFCCCEGNFCNERFTHLP input pdb
Peptide sequence	SEAAELKALNDKREAEQRAS
Simulation mc cycles	50
Peptide secondary structure psipred	CHHHHHHHHHHHHHHHHHHC

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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)	23.6923	6.41558	20.4362	152
cluster_2.pdb ( medoid)	18.3567	4.95731	13.5116	91
cluster_3.pdb ( medoid)	17.2587	9.56042	29.2709	165
cluster_4.pdb ( medoid)	15.5532	11.7017	33.5122	182
cluster_5.pdb ( medoid)	12.5387	6.85878	14.8701	86
cluster_6.pdb ( medoid)	11.1492	5.02278	14.3847	56
cluster_7.pdb ( medoid)	9.80072	8.16267	17.409	80
cluster_8.pdb ( medoid)	8.87994	10.0226	20.4204	89
cluster_9.pdb ( medoid)	3.82664	13.0663	31.257	50
cluster_10.pdb ( medoid)	3.20424	15.2922	29.6368	49