CABS-dock: 8a9l

Project name: 8a9l_t02

Status: done

submitted: 2025-10-20 11:15:59, status changed: 2025-10-21 00:29:08

Project settings

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

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 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)	52.9705	2.03887	8.24148	108
cluster_2.pdb ( medoid)	30.1702	3.5134	13.7854	106
cluster_3.pdb ( medoid)	27.5369	3.26835	15.1086	90
cluster_4.pdb ( medoid)	26.1487	5.39223	15.713	141
cluster_5.pdb ( medoid)	17.8774	6.43269	43.1671	115
cluster_6.pdb ( medoid)	14.0341	10.617	31.6352	149
cluster_7.pdb ( medoid)	13.0568	2.75719	10.0046	36
cluster_8.pdb ( medoid)	9.28346	10.5564	23.8464	98
cluster_9.pdb ( medoid)	7.9308	9.45681	43.8332	75
cluster_10.pdb ( medoid)	5.11975	16.0164	47.0451	82