CABS-dock: 5lwm4

Project name: 5lwm4

Status: done

submitted: 2023-06-02 07:35:07, status changed: 2023-06-02 14:24:05

Project settings

Protein sequence(s)	PTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRALAARNILVESEAHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGSERDVPALSRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWS input pdb
Peptide sequence	ISDAYRLKY
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

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)	28.4691	5.7255	38.7248	163
cluster_2.pdb ( medoid)	20.627	5.42979	30.195	112
cluster_3.pdb ( medoid)	16.5759	10.0748	29.8765	167
cluster_4.pdb ( medoid)	14.4039	9.99728	23.2277	144
cluster_5.pdb ( medoid)	13.6005	7.27915	28.4666	99
cluster_6.pdb ( medoid)	10.8315	7.93983	19.2323	86
cluster_7.pdb ( medoid)	10.7195	5.87712	14.7664	63
cluster_8.pdb ( medoid)	6.60555	12.4138	33.2561	82
cluster_9.pdb ( medoid)	6.56124	6.85845	17.4439	45
cluster_10.pdb ( medoid)	2.61187	14.9319	30.8263	39