CABS-dock: 238a4a381f9c038

Project name: 238a4a381f9c038

Status: done

submitted: 2025-12-22 15:25:21, status changed: 2025-12-23 01:05:34

Project settings

Protein sequence(s)	SSVFVPDEWEVSREKITLLRELGQGSFGMVYEGNARDIIKGEAETRVAVKTVNESASLRERIEFLNEASVMKGFTCHHVVRLLGVVSKGQPTLVVMELMAHGDLKSYLRSLRPEAENNPGRPPPTLQEMIQMAAEIADGMAYLNAKKFVHRDLAARNCMVAHDFTVKIGDFGMTRDIETDRKGGKGLLPVRWMAPESLKDGVFTTSSDMWSFGVVLWEITSLAEQPYQGLSNEQVLKFVMDGGYLDQPDNCPERVTDLMRMCWQFNPKMRPTFLEIVNLLKDDLHPSFPEVSFFHSEENK input pdb
Peptide sequence	GERGFFYERMH
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCC

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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

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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)	36.2091	2.87221	8.79807	104
cluster_2.pdb ( medoid)	35.0918	3.10614	7.18027	109
cluster_3.pdb ( medoid)	18.5967	5.21598	35.7024	97
cluster_4.pdb ( medoid)	18.4373	6.34582	23.3475	117
cluster_5.pdb ( medoid)	18.0948	11.9924	39.7356	217
cluster_6.pdb ( medoid)	12.998	8.07814	45.5209	105
cluster_7.pdb ( medoid)	12.8615	8.39717	24.8697	108
cluster_8.pdb ( medoid)	9.66146	6.62426	45.5214	64
cluster_9.pdb ( medoid)	3.04889	15.7434	47.3059	48
cluster_10.pdb ( medoid)	1.78342	17.3823	33.8785	31