CABS-dock: 5lwm8

Project name: 5lwm8

Status: done

submitted: 2023-06-02 07:46:02, status changed: 2023-06-02 14:30:34

Project settings

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

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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)	21.7798	11.9836	40.6276	261
cluster_2.pdb ( medoid)	19.7157	3.34758	16.2538	66
cluster_3.pdb ( medoid)	13.9645	13.6776	43.8806	191
cluster_4.pdb ( medoid)	13.7788	6.74951	21.048	93
cluster_5.pdb ( medoid)	10.6068	9.61651	30.5925	102
cluster_6.pdb ( medoid)	7.50132	9.06507	32.7026	68
cluster_7.pdb ( medoid)	7.32972	10.2323	37.2908	75
cluster_8.pdb ( medoid)	5.69873	6.14172	16.4902	35
cluster_9.pdb ( medoid)	4.03202	16.369	39.8717	66
cluster_10.pdb ( medoid)	3.68679	11.6633	28.3648	43