CABS-dock: fdfcf186007a35e

Project name: fdfcf186007a35e

Status: done

submitted: 2025-12-27 05:53:23, status changed: 2025-12-27 18:24:49

Project settings

Protein sequence(s)	HGYVSAVENGVAEGRVTLCKFAANGTGEKNTHCGAIQYEPQSVEGPDGFPVTGPRDGKIASAESALAAALDEQTADRWVKRPIQAGPQTFEWTFTANHVTKDWKYYITKPNWNPNQPLSRDAFDLNPFCVVEGNMVQPPKRVSHECIVPEREGYQVILAVWDVGDTAASFYNVIDVKFDGHGYVSAVENGVAEGRVTLCKFAANGTGEKNTHCGAIQYEPQSVEGPDGFPVTGPRDGKIASAESALAAALDEQTADRWVKRPIQAGPQTFEWTFTANHVTKDWKYYITKPNWNPNQPLSRDAFDLNPFCVVEGNMVQPPKRVSHECIVPEREGYQVILAVWDVGDTAASFYNVIDVKFDG input pdb
Peptide sequence	IENRALGRLWAFSHDQAGKAVHRDR
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCHHHHHHHCCCCCCCCHHCCCC

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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)	25.2335	3.7252	23.654	94
cluster_2.pdb ( medoid)	17.5635	8.99595	26.7017	158
cluster_3.pdb ( medoid)	16.5543	8.09459	29.5695	134
cluster_4.pdb ( medoid)	10.5347	16.8016	47.3859	177
cluster_5.pdb ( medoid)	9.4189	11.3601	31.7361	107
cluster_6.pdb ( medoid)	8.13434	13.7688	48.2177	112
cluster_7.pdb ( medoid)	5.93734	9.60026	36.6674	57
cluster_8.pdb ( medoid)	5.11421	13.4918	42.3593	69
cluster_9.pdb ( medoid)	4.13201	17.909	40.2484	74
cluster_10.pdb ( medoid)	1.10879	16.2339	25.626	18