CABS-dock: subunit_1-15

Project name: subunit_1-15_kfdv

Status: done

submitted: 2025-11-13 10:20:25, status changed: 2025-11-14 01:19:39

Project settings

Protein sequence(s)	DMGCAIDANRMELRCGEGLVVWREVTDWYDGYAFHPESPSVLAASLKEAYEEGICGIVPQNRLEMAMWRRVEAVLNLALAESDANLTVVVDKRDPSDYRGGKVGTLRRSGKEMKTSWKGWSQSFVWSVPEAPRRFMVGVEGAGECPLDKRRTGVFTVAEFGMGMRTKVFLDLRETASSDCDTGVMGAAVKSGHAVHTDQSLWMRSHRNATGVFISELIVTDLRNCTWPASHTLDNAGVVDSKLFLPAGLAGPRSHYNHIPGYAEQVKGPWSQTPLRVVREPCPGTAVKIDQSCDKRGASLRSTTESGKAIPEWCCRTCELPPVTFRSGTDCWYAMEIRPVHQQGGLVRSMVLA 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

Download all files

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)	27.5167	4.50636	20.2508	124
cluster_2.pdb ( medoid)	19.4903	11.9546	37.8787	233
cluster_3.pdb ( medoid)	18.9424	7.07409	28.9632	134
cluster_4.pdb ( medoid)	14.4507	7.68128	30.5283	111
cluster_5.pdb ( medoid)	9.40053	13.1907	42.4897	124
cluster_6.pdb ( medoid)	8.24262	7.40056	15.8815	61
cluster_7.pdb ( medoid)	7.09047	11.4238	28.8956	81
cluster_8.pdb ( medoid)	4.04692	14.579	35.8317	59
cluster_9.pdb ( medoid)	3.0107	13.286	26.1694	40
cluster_10.pdb ( medoid)	1.91182	17.261	41.0243	33