CABS-dock: ftsx-thanatin

Project name: ftsx-thanatin

Status: done

submitted: 2025-12-31 10:34:02, status changed: 2025-12-31 16:17:06

Project settings

Protein sequence(s)	MNTLKKHLAFIIPLVALLFSLECVLFINQAIEQKEKKLIEDYSVVLASTQKLNLELLRQNFSEIIALKEIDPNYSLEPLQKTLGIDGLKELRKNLPFFYSLQLSTFPTQERLENIKEKLLKIPGVQKVEVFAKTYMQVYDLLSFIKTAVYIFALVVFVLSVLLMFKQVRIWIYQYHERLEIMDLLGASVSFKNGFLYKIALMDSVIASFLAPMLMLYTTSQKGFEKTMDTLGIIGGAFVLNHFLWGLLFSLVVSFVSVLLVAWRTRHV input pdb
Peptide sequence	GSKKPVPIIYCNRRTGKCQRM
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCEEEECCCCCCCCCC

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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)	38.8811	6.04406	33.0921	235
cluster_2.pdb ( medoid)	32.6536	5.51241	38.3466	180
cluster_3.pdb ( medoid)	14.6095	4.9283	10.8929	72
cluster_4.pdb ( medoid)	12.9436	6.72145	34.9249	87
cluster_5.pdb ( medoid)	12.0613	5.88658	34.0006	71
cluster_6.pdb ( medoid)	9.00108	8.11014	14.3874	73
cluster_7.pdb ( medoid)	8.51802	6.6917	11.9655	57
cluster_8.pdb ( medoid)	5.97726	20.0761	51.1893	120
cluster_9.pdb ( medoid)	2.83504	4.9382	8.93539	14
cluster_10.pdb ( medoid)	2.36343	20.7326	44.431	49