CABS-dock: subunit_1-15

Project name: subunit_1-15_alkv

Status: done

submitted: 2025-11-13 10:21:21, status changed: 2025-11-13 23:13:41

Project settings

Protein sequence(s)	DMGCAIDANRMELRCGEGLVVWREVTDWYDGYAFHPESPPVLAASLKEAYEEGVCGIVPQNRLEMAMWRRVEAVLNLALAESDANLTVVVDRRDPSDYRGGKVGILKRSGKEMKTSWKGWSQSFVWSVPESPRRFMVGIEGTGECPLDKRRTGVFTVAEFGMGMRTKIFLDLRETSSSDCDTGVMGAAVKSGHAVHTDQSLWMKSHRNATGVFISELIVTDLRNCTWPASHTLDNAGVVDSKLFLPVSLAGPRSHYNHIPGYAEQVRGPWNQTPLRVVREPCPGTTVKIDQNCDKRGSSLRSTTESGKAIPEWCCRTCELPPVTFRSGTDCWYAMEIRPVHQQGGLVRSMVLA input pdb
Peptide sequence	DMGCAIDANRMELRC
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCEECCCCCEECC

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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)	25.3693	4.53303	12.8395	115
cluster_2.pdb ( medoid)	20.3712	5.89067	23.1423	120
cluster_3.pdb ( medoid)	17.8607	4.14317	18.5256	74
cluster_4.pdb ( medoid)	16.124	9.42697	22.049	152
cluster_5.pdb ( medoid)	15.9728	3.25554	25.7998	52
cluster_6.pdb ( medoid)	14.6527	9.3498	29.8307	137
cluster_7.pdb ( medoid)	13.8234	4.05109	16.7793	56
cluster_8.pdb ( medoid)	5.97149	18.2534	52.2155	109
cluster_9.pdb ( medoid)	4.17851	12.6839	37.238	53
cluster_10.pdb ( medoid)	1.95989	16.3275	43.9354	32