CABS-dock: lily

Project name: lily

Status: done

submitted: 2026-07-22 23:13:30, status changed: 2026-07-23 05:49:55

Project settings

Protein sequence(s)	PPCTQERHYEHLGRCCSRCEPGKYLSSKCTPTSDSVCLPCGPDEYLDTWNEEDKCLLHKVCDAGKALVAVDPGNHTAPRRCACTAGYHWNSDCECCRRNTECAPGFGAQHPLQLNKDTVCTPCLLGFFSDVFSSTDKCKPWTNCTLLGKLEAHQGTTESDVVCSSSMTLTQERHYEHLGRCCSRCEPGKYLSSKCTPTSDSVCLPCGPDEYLDTWNEEDKCLLHKVCDAGKALVAVDPGNHTAPRRCACTAGYHWNSDCECCRRNTECAPGFGAQHPLQLNKDTVCTPCLLGFFSDVFSSTDKCKPWTNCQGTTESDVV input pdb
Peptide sequence	NVLKLASGE
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCC

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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)	22.5557	5.32016	28.7524	120
cluster_2.pdb ( medoid)	21.2107	8.722	21.7346	185
cluster_3.pdb ( medoid)	18.9664	8.11961	36.2462	154
cluster_4.pdb ( medoid)	16.0783	7.89887	29.0685	127
cluster_5.pdb ( medoid)	12.1871	13.1286	41.8573	160
cluster_6.pdb ( medoid)	5.25227	14.8507	33.7451	78
cluster_7.pdb ( medoid)	4.50718	13.534	36.7354	61
cluster_8.pdb ( medoid)	4.24213	11.0793	20.9527	47
cluster_9.pdb ( medoid)	3.02761	15.5238	52.1531	47
cluster_10.pdb ( medoid)	2.72132	7.71684	14.4573	21