CABS-dock: 87559425c2a26e4

Project name: 87559425c2a26e4

Status: done

submitted: 2025-10-10 14:55:18, status changed: 2025-10-11 23:31:00

Project settings

Protein sequence(s)	ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKRICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKRICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR input pdb
Peptide sequence	WWDD
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 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)	34.233	4.7907	42.8501	164
cluster_2.pdb ( medoid)	28.5981	3.39184	8.98531	97
cluster_3.pdb ( medoid)	23.3384	3.1279	35.1554	73
cluster_4.pdb ( medoid)	20.1445	5.31164	24.0691	107
cluster_5.pdb ( medoid)	14.0707	9.09693	38.3803	128
cluster_6.pdb ( medoid)	14.0338	5.98553	28.5126	84
cluster_7.pdb ( medoid)	11.7117	8.02617	39.0461	94
cluster_8.pdb ( medoid)	3.77495	22.5168	53.0583	85
cluster_9.pdb ( medoid)	3.65955	25.4129	68.4077	93
cluster_10.pdb ( medoid)	1.74791	20.024	42.1486	35