CABS-dock: 37082bed96d056b

Project name: 37082bed96d056b

Status: done

submitted: 2025-12-05 17:18:42, status changed: 2025-12-05 22:00:11

Project settings

Protein sequence(s)	MSKGEELFTGVVPILVELDGGGGGGGGSSSSSSSSSSPPPPPPQQQQQQQQQQQALMEKQALMEKQALMEKQALMEGGGGGGGGGPPPPPPPQQQQQQQQQQALMEKQALMEKQALMEKQALMEGGGSSSQQQQPPPSSSLLLLMMMMAAAQQQPPPSSSAAAAALMEKQALMEKQALMEKQALMEQQQQQQQQQQQQQQQQPPPSSSSGGGPPPQQQ input pdb
Peptide sequence	RRGF
Simulation mc cycles	50
Peptide secondary structure psipred	CCCC

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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)	37.9522	2.84569	41.5332	108
cluster_2.pdb ( medoid)	22.8875	5.50519	27.5129	126
cluster_3.pdb ( medoid)	20.7	9.03382	24.7526	187
cluster_4.pdb ( medoid)	18.7715	6.55248	24.7365	123
cluster_5.pdb ( medoid)	14.9605	6.28319	23.8136	94
cluster_6.pdb ( medoid)	8.70741	9.7618	32.3476	85
cluster_7.pdb ( medoid)	8.45401	6.86065	21.031	58
cluster_8.pdb ( medoid)	6.39856	12.034	34.9982	77
cluster_9.pdb ( medoid)	5.73186	11.1657	33.3497	64
cluster_10.pdb ( medoid)	4.76366	16.374	38.7841	78