CABS-dock: Docking project

Project name: Docking project

Status: done

submitted: 2026-07-10 17:19:30, status changed: 2026-07-10 20:39:47

Project settings

Protein sequence(s)	AEAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNASATTWSGQYVGGAEARINTQWLLTSGTTEANAWKSTLVGDTFTKV input pdb
Peptide sequence	AGDWVGWCGGSGAET
Simulation mc cycles	100
Peptide secondary structure psipred	CCCCCCCCCCCCCCC

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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

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)	29.2725	6.31993	28.4207	185
cluster_2.pdb ( medoid)	18.552	6.73782	31.8804	125
cluster_3.pdb ( medoid)	18.3208	8.02365	40.3246	147
cluster_4.pdb ( medoid)	12.0624	6.4664	24.4319	78
cluster_5.pdb ( medoid)	11.7018	7.34929	25.9143	86
cluster_6.pdb ( medoid)	11.2679	7.54353	25.6941	85
cluster_7.pdb ( medoid)	6.83425	17.266	46.8826	118
cluster_8.pdb ( medoid)	5.83025	12.0063	32.7352	70
cluster_9.pdb ( medoid)	3.57995	18.1567	38.9722	65
cluster_10.pdb ( medoid)	2.59401	15.8057	32.1001	41