CABS-dock: TNAAPYVR

Project name: TNAAPYVR

Status: done

submitted: 2025-08-02 16:50:46, status changed: 2025-08-04 13:40:25

Project settings

Protein sequence(s)	YAPQTQSGRTSIVHLFEWRWVDIALECERYLGPKGFGGVQVSPPNENVVVTNPSRPWWERYQPVSYKLCTRSGNENEFRDMVTRCNNVGVRIYVDAVINHMCGSGAAAGTGTTCGSYCNPGSREFPAVPYSAWDFNDGKCKTASGGIESYNDPYQVRDCQLVGLLDLALEKDYVRSMIADYLNKLIDIGVAGFRIDASKHMWPGDIKAVLDKLHNLNTNWFPAGSRPFIFQEVIDLGGEAISSSEYFGNGRVTEFKYGAKLGTVVRKWSGEKMSYLKNWGEGWGFMPSDRALVFVDNHDNQRGHGAGGSSILTFWDARLYKVAVGFMLAHPYGFTRVMSSYRWARNFVNGEDVNDWIGPPNNNGVIKEVTINADTTCGNDWVCEHRWREIRNMVWFRNVVDGQPFANWWDNGSNQVAFGRGNRGFIVFNNDDWQLSSTLQTGLPGGTYCNVISGDKVGNSCTGIKVYVSSDGTAQFSISNSAQDPFIAIHAESKL input pdb
Peptide sequence	TNAAPYVR
Simulation mc cycles	200
Peptide secondary structure psipred	CCCCCCCC

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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

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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)	55.8973	2.80872	33.1745	157
cluster_2.pdb ( medoid)	55.2903	1.86289	33.4668	103
cluster_3.pdb ( medoid)	32.7409	5.43662	50.0564	178
cluster_4.pdb ( medoid)	32.0851	3.21021	10.9511	103
cluster_5.pdb ( medoid)	18.2106	4.94218	12.0366	90
cluster_6.pdb ( medoid)	17.9977	6.05633	33.1105	109
cluster_7.pdb ( medoid)	17.9664	5.51028	13.2418	99
cluster_8.pdb ( medoid)	11.6108	5.33987	37.5761	62
cluster_9.pdb ( medoid)	5.35444	9.52481	33.4015	51
cluster_10.pdb ( medoid)	2.46429	19.4782	64.8577	48