CABS-dock: 1M17-SGPPGLPGPIGLPGDPG

Project name: 1M17-SGPPGLPGPIGLPGDPG

Status: done

submitted: 2025-08-25 08:41:23, status changed: 2025-08-25 14:46:26

Project settings

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

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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)	18.4499	6.12469	43.1876	113
cluster_2.pdb ( medoid)	17.1181	3.50507	28.1136	60
cluster_3.pdb ( medoid)	15.0075	8.06262	47.4911	121
cluster_4.pdb ( medoid)	11.8048	9.57235	33.9798	113
cluster_5.pdb ( medoid)	9.57819	15.1386	41.5904	145
cluster_6.pdb ( medoid)	9.51086	15.456	48.7158	147
cluster_7.pdb ( medoid)	9.45909	5.70879	47.0811	54
cluster_8.pdb ( medoid)	7.87172	13.9741	43.0167	110
cluster_9.pdb ( medoid)	5.88381	13.4267	35.7223	79
cluster_10.pdb ( medoid)	2.59302	22.3677	50.1753	58