CABS-dock: NanAlast

Project name: NanAlast

Status: done

submitted: 2026-05-01 08:19:39, status changed: 2026-05-01 21:26:59

Project settings

Protein sequence(s)	GAALTEKTDIFESGRNGKPNKDGIKSYRIPALLKTDKGTLIAGADERRLHSSDWGDIGMVIRRSEDNGKTWGDRVTITNLRDNPKASDPSIGSPVNIDMVLVQDPETKRIFSIYDMFPEGKGIFGMSSQKEEAYKKIDGKTYQILYREGEKGAYTIRENGTVYTPDGKATDYRVVVDPVKPAYSDKGDLYKGNQLLGNIYFTTNKTSPFRIAKDSYLWMSYSDDDGKTWSAPQDITPMVKADWMKFLGVGPGTGIVLRNGPHKGRILIPVYTTNNVSHLNGSQSSRIIYSDDHGKTWHAGEAVNDNRQVDGQKIHSSTMNNRRAQNTESTVVQLNNGDVKLFMRGLTGDLQVATSKDGGVTWEKDIKRYPQVKDVYVQMSAIHTMHEGKEYIILSNAGGPKRENGMVHLARVEENGELTWLKHNPIQKGEFAYNSLQELGNGEYGILYEHTEKGQNAYTLSFRKFNWDFLSKDL input pdb
Peptide sequence	HQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Simulation mc cycles	50
Peptide secondary structure psipred	CCEEEEEEEECCCCHHHEEEEEECCEEEC

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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)	50.5985	1.97634	4.56794	100
cluster_2.pdb ( medoid)	40.9154	2.49295	25.1079	102
cluster_3.pdb ( medoid)	35.6205	2.80737	8.08963	100
cluster_4.pdb ( medoid)	11.2567	8.88363	20.9858	100
cluster_5.pdb ( medoid)	10.6733	10.1187	32.3204	108
cluster_6.pdb ( medoid)	8.3823	20.0422	64.0648	168
cluster_7.pdb ( medoid)	6.6003	18.787	47.0022	124
cluster_8.pdb ( medoid)	5.43313	14.1723	41.133	77
cluster_9.pdb ( medoid)	4.03085	19.8469	50.4507	80
cluster_10.pdb ( medoid)	2.29176	17.8902	44.168	41