CABS-dock: f98bf968cb00bfc

Project name: f98bf968cb00bfc

Status: done

submitted: 2025-12-23 18:10:03, status changed: 2025-12-24 04:51:47

Project settings

Protein sequence(s)	GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQKMEPRAPWIEQEGPEYWDQETRNMKAHSQTDRRANLGTLRGYYNQSEDGSHTIQIMYGCDVGPDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAVHAAEQRRVYLEGRCVDGLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHHVQHEGLPKPLTLRWMIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM input pdb
Peptide sequence	PTEAFGLKY
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCC

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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)	43.9394	3.52759	10.5573	155
cluster_2.pdb ( medoid)	27.4909	5.2381	41.7875	144
cluster_3.pdb ( medoid)	21.2934	6.48088	15.3104	138
cluster_4.pdb ( medoid)	19.1573	3.23637	6.84735	62
cluster_5.pdb ( medoid)	16.9238	4.54981	20.1341	77
cluster_6.pdb ( medoid)	13.4895	2.89113	5.95789	39
cluster_7.pdb ( medoid)	11.818	13.8771	52.9839	164
cluster_8.pdb ( medoid)	9.99012	10.3102	55.509	103
cluster_9.pdb ( medoid)	5.7311	12.563	41.1267	72
cluster_10.pdb ( medoid)	3.7836	12.1577	29.3632	46