CABS-dock: 第二次对接

Project name: 第二次对接

Status: done

submitted: 2026-06-17 13:13:30, status changed: 2026-06-18 00:01:09

Project settings

Protein sequence(s)	ADLKAFSKHIIYNAYLKNFNMTKKKARSILTGTAPPFVIHDIETLWQAEKGLVWKQLLVNGLPPYKEISVHVFYRCQCTTTVEETVRELTEFAKKSSIIPPSSFSSSLFLNDQVTLLKYGVHHEAIFAMLASIVNKDGLLVANGSSGFVTREEFLRSLRKPFSDIIIEPKFEFAVKFNALEELDDSDLALFIIAAIIILCGDDRPGLLMNVPRVEAIQDTILRRALEFFHLQQANHPDAQYLFPKLLQKMMADLRRQLVTEHAQMMQQRIKKKTETEETSSLHPLLQQEIIYYKDDMY input pdb
Peptide sequence	AQVLRGTVTDFPGFDERADA
Simulation mc cycles	100
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 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)	48.1323	2.11916	9.05323	102
cluster_2.pdb ( medoid)	29.905	4.34709	19.1586	130
cluster_3.pdb ( medoid)	17.2538	5.6799	20.7879	98
cluster_4.pdb ( medoid)	11.2185	8.0225	20.7942	90
cluster_5.pdb ( medoid)	11.112	15.2088	41.1867	169
cluster_6.pdb ( medoid)	8.74261	16.4711	34.4823	144
cluster_7.pdb ( medoid)	8.38786	8.34539	26.018	70
cluster_8.pdb ( medoid)	6.0319	13.5944	30.0266	82
cluster_9.pdb ( medoid)	4.61997	14.7187	32.946	68
cluster_10.pdb ( medoid)	2.59923	18.0823	33.2635	47