CABS-dock: 3e47e25a30d4123

Project name: 3e47e25a30d4123

Status: done

submitted: 2026-07-16 14:02:47, status changed: 2026-07-16 19:41:05

Project settings

Protein sequence(s)	PYLQILEQPKQRGFRFRYVAEGPSHGGLPGASSEKNKKSYPQVKICNYVGPAKVIVQLVTNGKNIHLHAHSLVGKHCEDGICTVTAGPKDMVVGFANLGILHVTKKKVFETLEARMTEACIRGYNPGLLVHPDLAYLQAEGGGDRQLGDREKELIRQAALQQTKEMDLSVVRLMFTAFLPDSTGSFTRRLEPVVSDAIYDSKAPNASNLKIVRMDRTAGCVTGGEEIYLLCDKVQKDDIQIRFYEEEENGGVWEGFGDFSPTDVHRQFAIVFKTPKYKDINITKPASVFVQLRRKSDLETSEPKPFLYYPE input pdb
Peptide sequence	VLGYMQLR
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCC

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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)	29.2014	3.97241	21.6904	116
cluster_2.pdb ( medoid)	23.4745	5.19713	23.8442	122
cluster_3.pdb ( medoid)	16.2876	9.70063	25.9657	158
cluster_4.pdb ( medoid)	14.0926	7.45072	38.3942	105
cluster_5.pdb ( medoid)	12.5603	9.15583	31.268	115
cluster_6.pdb ( medoid)	10.5146	11.6029	31.5732	122
cluster_7.pdb ( medoid)	9.00068	10.3326	33.945	93
cluster_8.pdb ( medoid)	6.15651	12.3447	39.4014	76
cluster_9.pdb ( medoid)	3.68878	11.1148	21.949	41
cluster_10.pdb ( medoid)	2.59203	20.0615	43.6551	52