CABS-dock: Docking project

Project name: Docking project

Status: done

submitted: 2023-06-02 09:02:08, status changed: 2023-06-02 22:31:12

Project settings

Protein sequence(s)	MAPGGYVAPKAVWLPAVKAKGLEISSGTFTHRQGHIYMEEMNFTNKALQHMTDFAIQFNKNSFGVIPSTPLAIHTPLMPNQSIDVSLPLNTLGPVMKMEPLNNLQVAVVKNNIDVFYFSCLIPLNVLFVEDGKMERQVFLATWKDIPNENELQFQIKECHLNADTVSSKLQNNNVYTIAKRNVEGQDMLYQSLKLTNGIWILAELRIQPGNPNYTLSLKCRAPEVVSQYIYQVYDSILKNGGYVAPKAVWLPAVKAKGLEISGTFTHRQGHIYMEMNFTNKALQHHMTDFAIQFNKNSFGVIPSTPLAIHTPLMPNQSIDVSLPLNTLGPVMKMEPLNNLQVAVKNNIDVFYFSCLIPLNVLFVEDGKMERQVFLATWKDDIPNENELQFQIKECHLNADTVSSSKLQNNNVYTIAKRNVEGQDMLLYQSLKLTNGIWILAELRIQPGNPNYTLSLKCRAPEVSQYIYQVYDSILKN input pdb
Peptide sequence	SFGDGFADF
Simulation mc cycles	50
Peptide secondary structure	CCCCHHHHC

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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)	59.1527	3.1275	27.9076	185
cluster_2.pdb ( medoid)	28.8696	5.5768	12.2343	161
cluster_3.pdb ( medoid)	27.0187	4.8855	28.2721	132
cluster_4.pdb ( medoid)	19.1339	7.36912	31.8201	141
cluster_5.pdb ( medoid)	13.1652	6.83619	34.7185	90
cluster_6.pdb ( medoid)	8.99329	9.78508	20.3878	88
cluster_7.pdb ( medoid)	5.46295	11.3492	27.8154	62
cluster_8.pdb ( medoid)	4.86047	10.4928	24.3779	51
cluster_9.pdb ( medoid)	4.63339	10.1438	21.4687	47
cluster_10.pdb ( medoid)	4.28637	10.0318	24.1258	43