CABS-dock: 77e68b974d18ad6

Project name: 77e68b974d18ad6

Status: done

submitted: 2026-01-13 16:43:41, status changed: 2026-01-14 05:07:14

Project settings

Protein sequence(s)	QIIPSNTTSPPTNSTSPPTNATAPAPSPTNTITKAANITKPGCPKQCGNVTVPYPFGIGSGCALDPMFEIDCNVTTPFIGNIQIYDISDAEMRISNFINTKCYSQTGVLIQDIPSWITLGTKSPYTFSTLNRFIVVGCDDGAIVSGNNFANGCPSLCTSTNDIVKGKCMGFGCCQITIPKGLKFFNTTMVTTRNHSLIWSFNPCGHSFLGEASRFEFQGIEDLSDVNFANKIRNNVPIVLDWAIGNLSCVEARKSNDYACLNNSQCVDSDTSLGGYRCSCNSGYIGNPYIGSGCQDIDECADPNTNSCEKICTNIPGSYNCSCPEGYTGDGRKNGRGCIAPNSNSEFPWIK input pdb
Peptide sequence	PMFELAEGAT
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCC

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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)	54.647	1.90312	17.9451	104
cluster_2.pdb ( medoid)	36.0019	2.99985	36.2855	108
cluster_3.pdb ( medoid)	26.0913	3.67938	23.1658	96
cluster_4.pdb ( medoid)	18.4771	2.65193	14.354	49
cluster_5.pdb ( medoid)	13.6452	8.79433	34.0021	120
cluster_6.pdb ( medoid)	8.39775	7.02569	18.6171	59
cluster_7.pdb ( medoid)	7.21088	8.32076	17.8477	60
cluster_8.pdb ( medoid)	5.86134	6.99499	18.4197	41
cluster_9.pdb ( medoid)	3.72662	8.31853	21.9723	31
cluster_10.pdb ( medoid)	2.24204	14.2727	30.9091	32