CABS-dock: 5hto&Pep6

Project name: 5hto&Pep6

Status: done

submitted: 2025-02-04 10:02:20, status changed: 2025-02-04 16:52:40

Project settings

Protein sequence(s)	KPKIVLVGSGMIGGVMATLIVQKNLGDVVMFDVVKNMPQGKALDTSHSNVMAYSNCKVTGSNSYDDLKGADVVIVTAGFTKAPLLPLNNKIMIEIGGHIKNLCPNAFIIVVTNPVDVMVQLLFEHSGVPKNKIIGLGGVLDTSRLKYYISQKLNNVCPRDVNALIVGAHGNKMVLLKRYITVGGIPLQEFINNKKITDEEVEGIFDRTVNTALEIVNLLASPYVAPAAAIIEMAESYLKDIKKVLVCSTLLEGQYGHSNIFGGTPLVIGGTGVEQVIELQLNAEEKTKFDEAVAETKRMKALI input pdb
Peptide sequence	NVRGTLSLIIGGTGE
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCEEEEEECCCCC

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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

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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)	26.1618	4.89263	20.9722	128
cluster_2.pdb ( medoid)	23.3145	6.43378	36.4859	150
cluster_3.pdb ( medoid)	20.9228	8.0295	47.716	168
cluster_4.pdb ( medoid)	19.6256	5.24824	14.0757	103
cluster_5.pdb ( medoid)	16.0496	7.85067	18.1374	126
cluster_6.pdb ( medoid)	9.97789	12.7281	44.3462	127
cluster_7.pdb ( medoid)	5.95318	8.73483	16.8298	52
cluster_8.pdb ( medoid)	5.24395	9.1534	20.6914	48
cluster_9.pdb ( medoid)	5.11154	10.5643	23.5033	54
cluster_10.pdb ( medoid)	4.66772	9.42644	20.002	44