CABS-dock: CASD0414hsw

Project name: CASD0414hsw

Status: done

submitted: 2025-04-14 02:23:52, status changed: 2025-04-14 14:42:08

Project settings

Protein sequence(s)	PPCTQERHYEHLGRCCSRCEPGKYLSSKCTPTSDSVCLPCGPDEYLDTWNEEDKCLLHKVCDAGKALVAVDPGNHTAPRRCACTAGYHWNSDCECCRRNTECAPGFGAQHPLQLNKDTVCTPCLLGFFSDVFSSTDKCKPWTNCTLLGKLEAHQGTTESDVVCSSSMTLTQERHYEHLGRCCSRCEPGKYLSSKCTPTSDSVCLPCGPDEYLDTWNEEDKCLLHKVCDAGKALVAVDPGNHTAPRRCACTAGYHWNSDCECCRRNTECAPGFGAQHPLQLNKDTVCTPCLLGFFSDVFSSTDKCKPWTNCQGTTESDVV input pdb
Peptide sequence	AGPPGPAGPAGPPGPIG
Simulation mc cycles	100
Peptide secondary structure psipred	CCCCCCCCCCCCCCCCC

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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

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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)	20.5646	7.4886	32.0053	154
cluster_2.pdb ( medoid)	13.1774	7.13343	20.1295	94
cluster_3.pdb ( medoid)	12.8256	6.8613	15.1713	88
cluster_4.pdb ( medoid)	12.2049	7.61989	52.4675	93
cluster_5.pdb ( medoid)	10.9687	6.38182	18.5388	70
cluster_6.pdb ( medoid)	8.09137	15.6957	69.1389	127
cluster_7.pdb ( medoid)	7.26853	11.1439	22.5801	81
cluster_8.pdb ( medoid)	4.65938	7.51173	17.7973	35
cluster_9.pdb ( medoid)	3.18795	16.3114	38.3735	52
cluster_10.pdb ( medoid)	2.44371	13.0948	30.6864	32