CABS-dock: f93ce99b20c384d

Project name: f93ce99b20c384d

Status: done

submitted: 2025-08-25 01:57:08, status changed: 2025-08-25 12:17:10

Project settings

Protein sequence(s)	EVQLVESGGGVVQPGRSLRLSCGVSGFTFSNYAIHWVRQAPGKRLEWVALISYDGKKQYYLDSVKGRFTISRDNSKDMVYLQMNSLKAEDTAIYYCARDRARSTGYFGGIYYYYYGMDVWGQGTTVTVSGASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPDIQMTQSPSSLSASVGDRVTITCQASQDIDNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTSFTLTISSLQPEDIGTYYCQKYGSVPFPFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input pdb
Peptide sequence	DEMKEGRYEVRAELPG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCEEECCCCCC

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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)	25.0678	5.42528	35.7047	136
cluster_2.pdb ( medoid)	19.086	5.44902	29.985	104
cluster_3.pdb ( medoid)	15.9197	8.73133	54.0279	139
cluster_4.pdb ( medoid)	12.2085	9.99305	46.9617	122
cluster_5.pdb ( medoid)	10.0795	5.85349	10.5854	59
cluster_6.pdb ( medoid)	8.12437	11.8163	48.2684	96
cluster_7.pdb ( medoid)	7.90983	10.6197	36.2869	84
cluster_8.pdb ( medoid)	7.61945	16.4054	47.4748	125
cluster_9.pdb ( medoid)	6.94217	9.79521	33.3413	68
cluster_10.pdb ( medoid)	4.62129	14.4981	41.1691	67