CABS-dock: 5508a51ffa6a4cb

Project name: 5508a51ffa6a4cb

Status: done

submitted: 2024-07-26 09:58:24, status changed: 2024-07-26 18:00:55

Project settings

Protein sequence(s)	LSIASIKVEGNAFWDSESGDRFYIRGVDYQPGGSSELEDPLADTNVCERDVKYFQELGINTIRVYSIDNTKNHTECMDTLAKAGIYVILDVNTPHSSITRSDAACSYNTDYLQEVFASIVEFAQFDNTLGFFAGNEVINDGPSLEAAPYVKAVVRDMKTFIKNRGFRTIPVGYSAASVDEYRLPSGLYFNCGDDDMARIDMYGINDYSWCGDASMTTSQYSQQMKDFANYTVPLFFSEFGCNAKRPRPFSEIEAIYSTEMSSVFSGGLVYEYSEEASNYGLVELKGDSVTTNDDFDNLKSQFEKTKNPSGDGGYLKSTGGNKCPPKSNIWNVTEEIPDTPKGA input pdb
Peptide sequence	RSLEGYPFNPCLTEEQYKE
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCHHHHCC

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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)	30.3394	4.31782	21.6117	131
cluster_2.pdb ( medoid)	25.5605	7.82457	22.8494	200
cluster_3.pdb ( medoid)	15.9038	4.96737	19.148	79
cluster_4.pdb ( medoid)	12.9596	10.7256	31.5777	139
cluster_5.pdb ( medoid)	11.8806	5.30274	30.3585	63
cluster_6.pdb ( medoid)	11.2522	7.10973	14.6715	80
cluster_7.pdb ( medoid)	9.99029	13.8134	34.307	138
cluster_8.pdb ( medoid)	9.71902	4.73299	16.5118	46
cluster_9.pdb ( medoid)	4.26828	19.4458	41.281	83
cluster_10.pdb ( medoid)	2.72079	15.0691	29.1246	41