CABS-dock: 1M17-PGPMGPRGPA

Project name: 1M17-PGPMGPRGPA

Status: done

submitted: 2025-08-24 09:06:37, status changed: 2025-08-24 14:55:13

Project settings

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

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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)	25.0739	5.42398	24.1045	136
cluster_2.pdb ( medoid)	17.8909	8.21646	21.099	147
cluster_3.pdb ( medoid)	16.3494	7.03392	29.3447	115
cluster_4.pdb ( medoid)	14.462	8.36678	43.5008	121
cluster_5.pdb ( medoid)	13.162	5.31834	16.9947	70
cluster_6.pdb ( medoid)	12.6575	9.1645	34.0327	116
cluster_7.pdb ( medoid)	10.804	9.53347	27.3071	103
cluster_8.pdb ( medoid)	7.92007	14.2676	37.5556	113
cluster_9.pdb ( medoid)	4.87959	7.17273	26.0356	35
cluster_10.pdb ( medoid)	2.31157	19.0347	35.2427	44