CABS-dock: 1M17-PGLPFHP

Project name: 1M17-PGLPFHP

Status: done

submitted: 2025-08-25 08:41:44, status changed: 2025-08-25 14:24:30

Project settings

Protein sequence(s)	GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLMDEEDMDDVVDADEYLIP input pdb
Peptide sequence	PGLPFHP
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCC

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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)	29.6855	2.89704	13.5412	86
cluster_2.pdb ( medoid)	19.544	9.41466	44.1504	184
cluster_3.pdb ( medoid)	18.2978	7.86978	35.9781	144
cluster_4.pdb ( medoid)	17.9647	8.57238	25.9531	154
cluster_5.pdb ( medoid)	14.5218	7.91912	27.0845	115
cluster_6.pdb ( medoid)	13.8439	8.59587	37.1728	119
cluster_7.pdb ( medoid)	6.49898	5.69321	21.3357	37
cluster_8.pdb ( medoid)	5.24481	16.7785	42.4919	88
cluster_9.pdb ( medoid)	4.84219	8.0542	15.049	39
cluster_10.pdb ( medoid)	1.93004	17.6162	32.3243	34