CABS-dock: AVP1545 OPTIMIZED

Project name: AVP1545 OPTIMIZED

Status: done

submitted: 2026-04-20 16:33:55, status changed: 2026-04-20 22:57:46

Project settings

Protein sequence(s)	MKTISVVTLLCVLPAVVYSTCTVPTMNNAKLTSTETSFNDKQKVTFTCDSGYHSLDPNAVCETDKWKYENPCKKMCTVSDYVSELYDKPLYEVNSTMTLSCNGETKYFRCEEKNGNTSWNDTVTCPNAECQPLQLEHGSCQPVKEKYSFGEYMTINCDVGYEVIGVSYISCTANSWNVIPSCQQKCDIPSLSNGLISGSTFSIGGVIHLSCKSGFTLTGSPSSTCIDGKWNPILPTCVRSNEEFDPVDDGPDDETDLSKLSKDVVQYEQEIESLEATYHIIIMALTIMGVIFLISIIVLVCSCDKNNDQYKFHKLLP input pdb
Peptide sequence	SSLITSLGAILSCYGKT
Simulation mc cycles	50
Peptide secondary structure psipred	CCHHHHHHHHHHHCCCC

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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)	42.5327	2.51571	17.8663	107
cluster_2.pdb ( medoid)	18.4172	5.53831	19.4386	102
cluster_3.pdb ( medoid)	17.4864	5.71872	40.993	100
cluster_4.pdb ( medoid)	11.1915	6.79089	19.0154	76
cluster_5.pdb ( medoid)	8.29867	8.55559	27.6788	71
cluster_6.pdb ( medoid)	7.83231	6.12846	19.8385	48
cluster_7.pdb ( medoid)	7.57288	9.77171	22.3121	74
cluster_8.pdb ( medoid)	5.41431	10.7123	33.1469	58
cluster_9.pdb ( medoid)	4.93595	8.50901	15.3916	42
cluster_10.pdb ( medoid)	2.71962	8.08938	16.7689	22