CABS-dock: 1M17-GPYGL

Project name: 1M17-GPYGL

Status: done

submitted: 2025-08-25 08:41:02, status changed: 2025-08-25 14:14:45

Project settings

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

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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)	19.0272	6.93745	21.1597	132
cluster_2.pdb ( medoid)	15.5536	8.87254	40.5636	138
cluster_3.pdb ( medoid)	14.8648	8.88002	31.4903	132
cluster_4.pdb ( medoid)	13.7447	6.98453	22.9797	96
cluster_5.pdb ( medoid)	12.795	9.84758	27.865	126
cluster_6.pdb ( medoid)	7.70663	14.9222	42.2505	115
cluster_7.pdb ( medoid)	6.85367	11.0889	30.9247	76
cluster_8.pdb ( medoid)	5.55743	12.9556	28.093	72
cluster_9.pdb ( medoid)	5.35829	7.46507	18.4392	40
cluster_10.pdb ( medoid)	4.44822	16.4111	41.0129	73