CABS-dock: f9aee306b2cea63

Project name: f9aee306b2cea63

Status: done

submitted: 2025-06-21 09:22:49, status changed: 2025-06-21 15:27:46

Project settings

Protein sequence(s)	MAVMAPRTLLLLLSGALALTQTWAGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSQTDRVDLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYLDGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWELSSQPTIPIVGIIAGLVLLGAVITGAVVAAVMWRRKSSDRKGGSYTQAASSDSAQGSDVSLTACKV input pdb
Peptide sequence	LGLLLLDLA
Simulation mc cycles	50
Peptide secondary structure psipred	CCCEEEECC

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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)	123.193	0.811732	1.88138	100
cluster_2.pdb ( medoid)	20.6091	4.85223	10.3915	100
cluster_3.pdb ( medoid)	14.5639	5.3557	14.017	78
cluster_4.pdb ( medoid)	13.3883	5.22846	19.7775	70
cluster_5.pdb ( medoid)	12.3614	6.22909	14.5242	77
cluster_6.pdb ( medoid)	9.37717	6.29188	13.4675	59
cluster_7.pdb ( medoid)	9.32358	6.11353	13.9891	57
cluster_8.pdb ( medoid)	6.89583	5.51058	9.24476	38
cluster_9.pdb ( medoid)	3.7381	9.09554	21.5998	34
cluster_10.pdb ( medoid)	1.99403	10.5315	24.2532	21