CABS-dock: 5lwm6

Project name: 5lwm6

Status: done

submitted: 2023-06-02 07:39:23, status changed: 2023-06-02 14:28:54

Project settings

Protein sequence(s)	PTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRALAARNILVESEAHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGSERDVPALSRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWS input pdb
Peptide sequence	AYRLKYTFG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCEEECC

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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)	47.502	2.82094	26.6893	134
cluster_2.pdb ( medoid)	29.1614	3.94357	25.8178	115
cluster_3.pdb ( medoid)	20.563	4.18228	20.7753	86
cluster_4.pdb ( medoid)	16.8781	9.539	34.4754	161
cluster_5.pdb ( medoid)	13.762	7.12106	29.7526	98
cluster_6.pdb ( medoid)	13.1148	8.31123	30.0943	109
cluster_7.pdb ( medoid)	9.85678	10.8555	34.9633	107
cluster_8.pdb ( medoid)	7.60146	6.84079	23.8066	52
cluster_9.pdb ( medoid)	6.96622	12.7759	36.0553	89
cluster_10.pdb ( medoid)	3.17101	15.4525	36.8868	49