CABS-dock: 171a4ec0c4b3565

Project name: 171a4ec0c4b3565

Status: done

submitted: 2026-07-16 14:02:39, status changed: 2026-07-16 19:47:54

Project settings

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

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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)	39.8355	3.26342	17.3472	130
cluster_2.pdb ( medoid)	24.0617	4.15598	20.857	100
cluster_3.pdb ( medoid)	19.063	5.9277	31.0217	113
cluster_4.pdb ( medoid)	14.525	7.43548	23.0505	108
cluster_5.pdb ( medoid)	10.6548	12.3888	43.8854	132
cluster_6.pdb ( medoid)	9.1177	8.9935	20.664	82
cluster_7.pdb ( medoid)	8.03139	11.4551	26.0233	92
cluster_8.pdb ( medoid)	7.28054	8.6532	26.5128	63
cluster_9.pdb ( medoid)	6.83658	12.8719	41.6513	88
cluster_10.pdb ( medoid)	1.17403	17.8871	34.2653	21