CABS-dock: lily

Project name: lily

Status: done

submitted: 2026-07-23 00:11:04, status changed: 2026-07-23 06:44:56

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)	24.0282	6.90856	23.7749	166
cluster_2.pdb ( medoid)	19.6714	6.40524	30.2788	126
cluster_3.pdb ( medoid)	18.6752	7.38949	26.2509	138
cluster_4.pdb ( medoid)	17.4226	6.83022	27.8332	119
cluster_5.pdb ( medoid)	12.9764	10.1724	25.5596	132
cluster_6.pdb ( medoid)	11.5383	12.6535	31.8645	146
cluster_7.pdb ( medoid)	7.48739	6.94501	13.5002	52
cluster_8.pdb ( medoid)	5.76289	11.1055	23.158	64
cluster_9.pdb ( medoid)	2.96133	12.8321	36.8945	38
cluster_10.pdb ( medoid)	1.73312	10.9629	19.5291	19