CABS-dock: TTP-4J8S

Project name: TTP-4J8S

Status: done

submitted: 2026-01-12 17:42:11, status changed: 2026-01-12 23:45:16

Project settings

Protein sequence(s)	QQTDLSQVWPEANQHFSKEIDDEANSYFQRIYNHPPHHPTMSVDEVLEMLQRFKDSTIKREREVFNCMLRNLFEEYRFFPQYPDKELHITACLFGGIIEKGLVTYMALGLALRYVLEALRKPFGSKMYYFGIAALDRFKNRLKDYPQYCQHLASSISHFMQFPHHLQQEYIEYGQQSRDPPVK input pdb
Peptide sequence	AQPVAAPRRLPIFNRISVSE
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCCEECCC

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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)	25.6309	4.72086	15.4015	121
cluster_2.pdb ( medoid)	23.9471	1.46155	4.06338	35
cluster_3.pdb ( medoid)	18.5266	12.3066	41.6114	228
cluster_4.pdb ( medoid)	17.7638	8.7256	36.8822	155
cluster_5.pdb ( medoid)	14.0289	4.9184	12.9346	69
cluster_6.pdb ( medoid)	12.3967	7.01799	18.0762	87
cluster_7.pdb ( medoid)	12.3008	11.3814	38.3239	140
cluster_8.pdb ( medoid)	10.8042	2.40646	6.17993	26
cluster_9.pdb ( medoid)	9.51708	5.56893	13.9757	53
cluster_10.pdb ( medoid)	4.48494	19.1753	44.0898	86