CABS-dock: TestTIM

Project name: TestTIM

Status: done

submitted: 2025-08-24 11:18:06, status changed: 2025-08-24 13:07:01

Project settings

Protein sequence(s)	MVKVGGEAGPSVTLPCHYSGAVTSMCWNRGSCSLFTCQNNGIVWTNGTHVTYRKDTRYKLLGDLSRRDVSLTIENNTAVSDSGVYCCRVEHRGWFNDMKITVSLEIVPP input pdb
Peptide sequence	LKKWWKKVKGLLGGLLGKVTSVIK
Simulation mc cycles	50
Peptide secondary structure psipred	CHHHHHHHHHHHHHHHHHHHHHCC

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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)	25.2857	4.38983	35.4946	111
cluster_2.pdb ( medoid)	13.9058	9.70818	27.5103	135
cluster_3.pdb ( medoid)	12.7183	8.72758	29.45	111
cluster_4.pdb ( medoid)	10.1794	8.93965	24.8234	91
cluster_5.pdb ( medoid)	10.1766	13.8553	30.769	141
cluster_6.pdb ( medoid)	9.54604	11.1041	25.0537	106
cluster_7.pdb ( medoid)	8.31523	13.349	26.2436	111
cluster_8.pdb ( medoid)	5.63255	12.2502	35.6663	69
cluster_9.pdb ( medoid)	5.04125	14.8773	36.3781	75
cluster_10.pdb ( medoid)	4.91822	10.1663	24.9589	50