CABS-dock: pep21

Project name: pep21

Status: done

submitted: 2025-12-05 15:00:35, status changed: 2025-12-06 01:53:05

Project settings

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

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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)	17.3933	5.40438	24.1562	94
cluster_2.pdb ( medoid)	16.6616	7.32222	39.3731	122
cluster_3.pdb ( medoid)	14.7317	9.36757	34.9796	138
cluster_4.pdb ( medoid)	13.6012	9.41091	27.887	128
cluster_5.pdb ( medoid)	12.4103	8.21901	29.4246	102
cluster_6.pdb ( medoid)	12.2078	10.567	28.6388	129
cluster_7.pdb ( medoid)	12.005	6.33068	27.5159	76
cluster_8.pdb ( medoid)	7.49547	14.1419	34.1641	106
cluster_9.pdb ( medoid)	5.89341	11.3686	29.3383	67
cluster_10.pdb ( medoid)	3.51481	10.8114	27.0327	38