CABS-dock: 167be140064b226

Project name: 167be140064b226

Status: done

submitted: 2025-12-22 15:24:23, status changed: 2025-12-23 00:49:06

Project settings

Protein sequence(s)	SSVFVPDEWEVSREKITLLRELGQGSFGMVYEGNARDIIKGEAETRVAVKTVNESASLRERIEFLNEASVMKGFTCHHVVRLLGVVSKGQPTLVVMELMAHGDLKSYLRSLRPEAENNPGRPPPTLQEMIQMAAEIADGMAYLNAKKFVHRDLAARNCMVAHDFTVKIGDFGMTRDIETDRKGGKGLLPVRWMAPESLKDGVFTTSSDMWSFGVVLWEITSLAEQPYQGLSNEQVLKFVMDGGYLDQPDNCPERVTDLMRMCWQFNPKMRPTFLEIVNLLKDDLHPSFPEVSFFHSEENK input pdb
Peptide sequence	GERGFFYTPKT
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)	31.763	3.87243	20.7572	123
cluster_2.pdb ( medoid)	29.7107	5.72185	25.9265	170
cluster_3.pdb ( medoid)	24.7587	6.17964	19.4404	153
cluster_4.pdb ( medoid)	17.9953	4.39003	12.6478	79
cluster_5.pdb ( medoid)	14.8356	6.94275	34.2502	103
cluster_6.pdb ( medoid)	14.4783	5.31829	14.7333	77
cluster_7.pdb ( medoid)	12.818	7.72352	18.5641	99
cluster_8.pdb ( medoid)	9.87287	11.7494	30.1461	116
cluster_9.pdb ( medoid)	5.45658	8.06366	31.4216	44
cluster_10.pdb ( medoid)	2.89789	12.4228	20.8463	36