CABS-dock: 5lwm2

Project name: 5lwm2

Status: done

submitted: 2023-06-02 07:28:18, status changed: 2023-06-02 14:12:20

Project settings

Protein sequence(s)	PTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRALAARNILVESEAHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGSERDVPALSRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWS input pdb
Peptide sequence	GVISDAYRL
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)	41.9705	2.59706	14.1241	109
cluster_2.pdb ( medoid)	33.192	2.68137	27.1211	89
cluster_3.pdb ( medoid)	30.2797	4.95382	11.5689	150
cluster_4.pdb ( medoid)	28.0903	7.2267	30.7738	203
cluster_5.pdb ( medoid)	16.7278	6.21719	28.1968	104
cluster_6.pdb ( medoid)	16.366	8.98201	47.1657	147
cluster_7.pdb ( medoid)	15.4571	6.98709	20.2524	108
cluster_8.pdb ( medoid)	5.72362	3.14486	12.3705	18
cluster_9.pdb ( medoid)	3.58742	13.1013	29.267	47
cluster_10.pdb ( medoid)	2.50389	9.98446	26.8801	25