CABS-dock: Docking project

Project name: Docking project

Status: done

submitted: 2026-06-17 13:08:19, status changed: 2026-06-18 13:14:33

Project settings

Protein sequence(s)	ADLKAFSKHIIYNAYLKNFNMTKKKARSILTGTAPPFVIHDIETLWQAEKGLVWKQLLVNGLPPYKEISVHVFYRCQCTTTVEETVRELTEFAKKSSIIPPSSFSSSLFLNDQVTLLKYGVHHEAIFAMLASIVNKDGLLVANGSSGFVTREEFLRSLRKPFSDIIIEPKFEFAVKFNALEELDDSDLALFIIAAIIILCGDDRPGLLMNVPRVEAIQDTILRRALEFFHLQQANHPDAQYLFPKLLQKMMADLRRQLVTEHAQMMQQRIKKKTETEETSSLHPLLQQEIIYYKDDMY input pdb
Peptide sequence	AQVLRGTVTDFPGFDERADA
Simulation mc cycles	200
Peptide secondary structure psipred	CCCCCCCCCCCCCCCCCCCC

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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)	17.1889	6.69036	30.7153	115
cluster_2.pdb ( medoid)	16.8887	6.80929	37.2149	115
cluster_3.pdb ( medoid)	16.5405	9.31051	33.2519	154
cluster_4.pdb ( medoid)	15.2463	7.0837	39.4443	108
cluster_5.pdb ( medoid)	10.9613	8.48443	26.544	93
cluster_6.pdb ( medoid)	6.75959	18.3443	47.5876	124
cluster_7.pdb ( medoid)	6.67535	14.0817	37.1261	94
cluster_8.pdb ( medoid)	6.46023	9.75198	39.8049	63
cluster_9.pdb ( medoid)	4.21842	19.2015	46.4218	81
cluster_10.pdb ( medoid)	3.005	17.6373	31.1189	53