CABS-dock: trial4leb

Project name: trial4leb

Status: done

submitted: 2025-10-09 00:16:19, status changed: 2025-10-09 06:05:21

Project settings

Protein sequence(s)	GKTITGVFNSFNSLTWSNAATYNYKGPGTPTWNAVLGWSLDGTSASPGDTFTLNMPCVFKFTTSQTSVDLTAHGVKYATCQFQAGEEFMTFSTLTCTVSNTLTPSIKALGTVTLPLAFNVGGTGSSVDLEDSKCFTAGTNTVTFNDGGKKISINVDFERSNVDPKGYLTDSRVIPSLNKVSTLFVAPQCANGYTSGTMGFANTYGDVQIDCSNIHVGITKGLNDWNYPVSSESFSYTKTCSSNGIFITYKNVPAGYRPFVDAYISATDVNSYTLSYANEYTCAGGYWQRAPFTLRWTGYTTTTTTT input pdb
Peptide sequence	NMAIHPR
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCC

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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 3Dmol (WebGL)

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)	37.4847	1.81407	11.1309	68
cluster_2.pdb ( medoid)	18.0669	5.92243	28.4821	107
cluster_3.pdb ( medoid)	14.7708	2.77574	16.5019	41
cluster_4.pdb ( medoid)	14.1648	10.9426	53.2507	155
cluster_5.pdb ( medoid)	13.7418	11.0611	58.2608	152
cluster_6.pdb ( medoid)	12.1729	13.5547	46.403	165
cluster_7.pdb ( medoid)	11.4621	8.28817	41.3518	95
cluster_8.pdb ( medoid)	5.7875	12.6134	34.1116	73
cluster_9.pdb ( medoid)	5.74332	12.0139	34.8736	69
cluster_10.pdb ( medoid)	4.13361	18.144	40.727	75