CABS-dock: 5hto&Pep5

Project name: 5hto&Pep5

Status: done

submitted: 2025-02-04 09:58:45, status changed: 2025-02-04 16:36:40

Project settings

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

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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)	34.2384	3.30038	16.8262	113
cluster_2.pdb ( medoid)	32.9056	5.22707	22.9533	172
cluster_3.pdb ( medoid)	32.3248	4.20729	35.0487	136
cluster_4.pdb ( medoid)	18.3256	4.03807	9.02428	74
cluster_5.pdb ( medoid)	16.7986	5.71475	32.4694	96
cluster_6.pdb ( medoid)	12.7313	5.18406	12.324	66
cluster_7.pdb ( medoid)	10.7345	14.8121	38.5825	159
cluster_8.pdb ( medoid)	8.01328	10.7322	46.1197	86
cluster_9.pdb ( medoid)	6.50231	5.99787	12.5828	39
cluster_10.pdb ( medoid)	5.62151	10.4954	50.0959	59