CABS-dock: 45cc52b8d35796d

Project name: 45cc52b8d35796d

Status: done

submitted: 2026-01-19 14:07:40, status changed: 2026-01-20 00:06:13

Project settings

Protein sequence(s)	QPRKECQTRCGNVAVEYPFGTSPGCYYPGDESFNLTCNEQEKLFFGNMPVINMSLSGQLRVRLVRSRVCYDSQGKQTDYIAQRTTLGNFTLSELNRFTVVGCNSYAFLRTSGVEKYSTGCISICDSATTKNGSCSGEGCCQIPVPRGYSFVRVKPHSFHNHPTVHLFNPCTYAFLVEDGMFDFHALEDLNNLRNVTTFPVVLDWSIGDKTCKQVEYRGVCGGNSTCFDSTGGTGYNCKCLEGFEGNPYLPNGCQDINECISSRHNCSEHSTCENTKGSFNCNCPSGYRKDSLNSCTRKVRPEYFRWT input pdb
Peptide sequence	IDNFKADDFGTMVRTNGGKQFDDMS
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCHHHHCCEEECCCCCCCCCCC

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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

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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)	72.3697	1.17453	11.5787	85
cluster_2.pdb ( medoid)	33.3483	5.99731	18.6134	200
cluster_3.pdb ( medoid)	30.7805	3.2813	26.1586	101
cluster_4.pdb ( medoid)	13.7689	7.55323	16.8582	104
cluster_5.pdb ( medoid)	12.8719	9.24493	20.4277	119
cluster_6.pdb ( medoid)	9.15277	10.7071	29.0571	98
cluster_7.pdb ( medoid)	6.24532	11.8489	25.0043	74
cluster_8.pdb ( medoid)	5.85424	10.249	24.2804	60
cluster_9.pdb ( medoid)	4.88204	4.71115	10.9249	23
cluster_10.pdb ( medoid)	4.03315	8.92603	23.7735	36