CABS-dock: d31a375a444c0c2

Project name: d31a375a444c0c2

Status: done

submitted: 2025-12-29 08:16:17, status changed: 2025-12-29 11:38:09

Project settings

Protein sequence(s)	MVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPAMVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPA input pdb
Peptide sequence	LPPTDESIKYTIYNSTGIQIGAYNYMEIGG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCEEEECCCCEEECCCCEECCCC

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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)	18.6142	11.1742	40.6005	208
cluster_2.pdb ( medoid)	18.1865	6.21342	36.0989	113
cluster_3.pdb ( medoid)	13.5589	9.88281	32.3735	134
cluster_4.pdb ( medoid)	10.2521	7.99833	25.9766	82
cluster_5.pdb ( medoid)	10.1076	11.0807	32.841	112
cluster_6.pdb ( medoid)	5.87641	10.0401	25.5425	59
cluster_7.pdb ( medoid)	5.68807	9.31774	29.3448	53
cluster_8.pdb ( medoid)	5.40486	18.6869	48.3137	101
cluster_9.pdb ( medoid)	5.17574	16.4228	35.4334	85
cluster_10.pdb ( medoid)	3.35583	15.7934	29.4575	53