CABS-dock: ffb9f5b02e2362b

Project name: ffb9f5b02e2362b

Status: done

submitted: 2025-12-27 14:37:04, status changed: 2025-12-28 04:03:45

Project settings

Protein sequence(s)	DHIKVIYFNGRGRAESIRMTLVAAGVNYEDERISFQDWPKIKPTIPGGRLPAVKITDNHGHVKWMLESLAIARYMAKKHHMMGETDEEYYNVEKLIGQVEDLEHEYHKTLMKPEEEKQKITKEILNGKVPVLLDIICESLKASTGKLAVGDKVTLADLVLIAVIDHVTDLDKEFLTGKYPEIHKHRENLLASSPRLAKYLSDRAGDHIKVIYFNGRGRAESIRMTLVAAGVNYEDERISFQDWPKIKPTIPGGRLPAVKITDNHGHVKWMLESLAIARYMAKKHHMMGETDEEYYNVEKLIGQVEDLEHEYHKTLMKPEEEKQKITKEILNGKVPVLLDIICESLKASTGKLAVGDKVTLADLVLIAVIDHVTDLDKEFLTGKYPEIHKHRENLLASSPRLAKYLSDRA input pdb
Peptide sequence	MLPVGRRAGNRDGKRMLRLHFA
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCEEEEEEEC

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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)	36.2716	3.41866	12.4376	124
cluster_2.pdb ( medoid)	22.0942	5.38604	40.6091	119
cluster_3.pdb ( medoid)	22.0846	5.52421	43.8174	122
cluster_4.pdb ( medoid)	22.0789	9.51133	53.3708	210
cluster_5.pdb ( medoid)	17.6511	5.26879	9.5488	93
cluster_6.pdb ( medoid)	10.1683	9.24439	28.6071	94
cluster_7.pdb ( medoid)	7.07008	10.1838	26.0746	72
cluster_8.pdb ( medoid)	5.77092	14.0359	33.6285	81
cluster_9.pdb ( medoid)	4.59966	8.91371	23.3792	41
cluster_10.pdb ( medoid)	1.48275	29.6747	65.957	44