CABS-dock: 5lwm9

Project name: 5lwm9

Status: done

submitted: 2023-06-02 07:49:11, status changed: 2023-06-02 14:35:15

Project settings

Protein sequence(s)	PTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRALAARNILVESEAHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGSERDVPALSRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWS input pdb
Peptide sequence	LKYTFGVDF
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)	24.8961	6.74803	23.6078	168
cluster_2.pdb ( medoid)	24.4662	4.74124	21.5657	116
cluster_3.pdb ( medoid)	21.2308	8.00725	26.1172	170
cluster_4.pdb ( medoid)	18.4417	5.69363	27.1427	105
cluster_5.pdb ( medoid)	13.7418	11.3522	24.0945	156
cluster_6.pdb ( medoid)	10.9716	8.56761	33.1172	94
cluster_7.pdb ( medoid)	8.05981	8.18878	25.9455	66
cluster_8.pdb ( medoid)	4.1005	9.02329	25.981	37
cluster_9.pdb ( medoid)	3.42104	10.2308	20.9826	35
cluster_10.pdb ( medoid)	3.17316	16.7026	38.6156	53