CABS-dock: 8a9l_helix2asyn

Project name: 8a9l_helix2asyn

Status: done

submitted: 2025-10-20 11:50:36, status changed: 2025-10-21 01:43:37

Project settings

Protein sequence(s)	GKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL input pdb
Peptide sequence	KEGVVHGVATVAEKTKEQVTNVGGAVVTGV
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCEEEEEECHHHHHHHHHCCCCCEECCC

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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)	22.2325	4.58787	22.3479	102
cluster_2.pdb ( medoid)	22.0116	4.95195	24.8822	109
cluster_3.pdb ( medoid)	21.4642	1.63062	20.1684	35
cluster_4.pdb ( medoid)	19.2139	5.98525	26.5272	115
cluster_5.pdb ( medoid)	18.0741	4.42623	14.845	80
cluster_6.pdb ( medoid)	17.1011	7.13402	20.3041	122
cluster_7.pdb ( medoid)	16.6785	6.05571	14.4079	101
cluster_8.pdb ( medoid)	10.3282	10.2631	40.3826	106
cluster_9.pdb ( medoid)	7.99636	8.62892	18.2278	69
cluster_10.pdb ( medoid)	3.60648	16.914	33.7567	61