CABS-dock: lily

Project name: lily

Status: done

submitted: 2026-07-23 00:46:02, status changed: 2026-07-23 07:14:57

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 3Dmol (WebGL)

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)	52.531	5.78706	20.1227	304
cluster_2.pdb ( medoid)	21.498	7.07043	36.3792	152
cluster_3.pdb ( medoid)	18.5664	6.94802	24.6274	129
cluster_4.pdb ( medoid)	15.5143	9.08838	34.2396	141
cluster_5.pdb ( medoid)	6.44193	8.53781	20.4899	55
cluster_6.pdb ( medoid)	6.14707	7.48324	17.2809	46
cluster_7.pdb ( medoid)	5.88158	11.7315	36.7316	69
cluster_8.pdb ( medoid)	4.14663	15.9165	34.6865	66
cluster_9.pdb ( medoid)	2.47879	10.8924	19.9307	27
cluster_10.pdb ( medoid)	1.41819	7.75638	13.7169	11