CABS-dock: e7762720015bbff

Project name: e7762720015bbff

Status: done

submitted: 2025-12-28 22:17:11, status changed: 2025-12-29 11:28:32

Project settings

Protein sequence(s)	QVMDFLFEKWKLYGDQCHHNLSLLPPPTELVCNRTFDKYSCWPDTPANTTANISCPWYLPWHHKVQHRFVFKRCGQWVRGPRGQPWRDASQCQMDGEEIEVQKEVAKMYSSFQVMYTVGYSLSLGALLLALAILGGLSKLHCTRNAIHANLFASFVLKASSVLVIDGLLRTRYSQKIGDDLSVSTWLSDGAVAGCRVAAVFMQYGIVANYCWLLVEGLYLHNLLGLATLPERSFFSLYLGIGWGAPMLFVVPWAVVKCLFENVQCWTSNDNMGFWWILRFPVFLAILINFFIFVRIVQLLVAKLRARQMHHTDYKFRLAKSTLTLIPLLGVHEVVFAFVTDEHAQGTLRSAKLFFDLFLSSFQGLLVAVLYCFLNKEVQSELRRRWHRWRLG input pdb
Peptide sequence	YAHGTFISDYSKFLDEIRAADFLKWLLEGG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCHHHHHHHHHHHHHHHHHHHCC

Re-submit project

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

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)	46.8831	2.19696	16.4412	103
cluster_2.pdb ( medoid)	15.6835	4.65457	16.7755	73
cluster_3.pdb ( medoid)	15.6056	10.7013	28.5092	167
cluster_4.pdb ( medoid)	13.9072	9.85101	32.1486	137
cluster_5.pdb ( medoid)	9.2718	12.8346	43.8978	119
cluster_6.pdb ( medoid)	8.99423	10.5623	24.1719	95
cluster_7.pdb ( medoid)	7.83786	16.4586	39.0115	129
cluster_8.pdb ( medoid)	5.05097	7.5233	14.6856	38
cluster_9.pdb ( medoid)	4.62091	20.9915	47.7319	97
cluster_10.pdb ( medoid)	3.0108	13.9498	36.6694	42