CABS-dock: lily

Project name: lily

Status: done

submitted: 2026-07-23 01:55:07, status changed: 2026-07-23 08:28:06

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

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)	39.2292	5.93946	29.1176	233
cluster_2.pdb ( medoid)	37.8712	3.56472	11.0927	135
cluster_3.pdb ( medoid)	26.5298	2.56316	9.85117	68
cluster_4.pdb ( medoid)	17.9488	8.41283	35.9925	151
cluster_5.pdb ( medoid)	16.819	6.00511	30.9382	101
cluster_6.pdb ( medoid)	13.7686	5.22929	13.4307	72
cluster_7.pdb ( medoid)	12.2967	3.09027	13.0322	38
cluster_8.pdb ( medoid)	12.0952	8.26778	24.8299	100
cluster_9.pdb ( medoid)	9.60789	5.30813	12.0388	51
cluster_10.pdb ( medoid)	6.4353	7.92504	25.9653	51