CABS-dock: pep20

Project name: pep20

Status: done

submitted: 2025-12-05 15:00:03, status changed: 2025-12-06 10:23:02

Project settings

Protein sequence(s)	SFELTQPPSVSVSPGQTASITCSGDKLGDIYASWYQQKPGQSPVVVIFQDNKRPSGVPERFSGSNSGNTATLTISGTQALDEADYYCQAWDTSTSVFGTGTKVTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTEEVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAIHWVRQAPGKGLEWVSGLSGGGGDTDYADSVKGRLTISRDNSKKTLFLEMNNLRPEDTAIYYCAKLTGYGSTPGSYMDVWGKGTTVSVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC input pdb
Peptide sequence	GCKHIKCPL
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 3Dmol (WebGL)

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)	61.4815	1.69157	11.2524	104
cluster_2.pdb ( medoid)	27.4954	3.81881	38.4351	105
cluster_3.pdb ( medoid)	20.2509	4.83928	44.0827	98
cluster_4.pdb ( medoid)	17.8563	6.49629	34.3832	116
cluster_5.pdb ( medoid)	16.7427	8.30213	32.8285	139
cluster_6.pdb ( medoid)	12.3741	8.80872	31.096	109
cluster_7.pdb ( medoid)	11.9978	11.3354	42.2616	136
cluster_8.pdb ( medoid)	10.4987	12.0014	27.9214	126
cluster_9.pdb ( medoid)	2.37855	18.4986	42.4266	44
cluster_10.pdb ( medoid)	1.43484	16.0296	29.7831	23