CABS-dock: pep22

Project name: pep22

Status: done

submitted: 2025-12-05 15:00:59, status changed: 2025-12-06 01:38:17

Project settings

Protein sequence(s)	SFELTQPPSVSVSPGQTASITCSGDKLGDIYASWYQQKPGQSPVVVIFQDNKRPSGVPERFSGSNSGNTATLTISGTQALDEADYYCQAWDTSTSVFGTGTKVTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTEEVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAIHWVRQAPGKGLEWVSGLSGGGGDTDYADSVKGRLTISRDNSKKTLFLEMNNLRPEDTAIYYCAKLTGYGSTPGSYMDVWGKGTTVSVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC input pdb
Peptide sequence	GVMACVNVDG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCEEEECCC

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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)	25.3826	8.58857	37.3403	218
cluster_2.pdb ( medoid)	23.5905	5.25634	13.0166	124
cluster_3.pdb ( medoid)	21.1929	5.2848	36.127	112
cluster_4.pdb ( medoid)	17.8227	9.76283	48.4999	174
cluster_5.pdb ( medoid)	12.6682	8.5253	44.7459	108
cluster_6.pdb ( medoid)	6.04326	8.27368	25.5067	50
cluster_7.pdb ( medoid)	5.77903	13.4971	34.9765	78
cluster_8.pdb ( medoid)	4.12841	14.049	44.2861	58
cluster_9.pdb ( medoid)	3.14695	13.664	37.4228	43
cluster_10.pdb ( medoid)	1.69581	20.6391	42.6856	35