CABS-dock: OmpL1

Project name: OmpL1

Status: done

submitted: 2026-04-14 21:44:37, status changed: 2026-04-15 06:05:45

Project settings

Protein sequence(s)	EHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFDDTRPRFLWQPKRECHFFNGTERVRFLDRYFYNQEESVRFDSDVGEFRAVTELGRPDAEYWNSQKDILEQARAAVDTYCRHNYGVGESFTVQRRVQPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFLNGQEEKAGMVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRA input pdb
Peptide sequence	ASTLAPFPTYPIVVG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCC

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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)	124.26	0.804761	2.69278	100
cluster_2.pdb ( medoid)	31.7974	3.74244	26.4974	119
cluster_3.pdb ( medoid)	15.6886	7.20269	35.9831	113
cluster_4.pdb ( medoid)	15.4866	5.48863	14.2941	85
cluster_5.pdb ( medoid)	14.0489	8.75516	24.5735	123
cluster_6.pdb ( medoid)	12.5529	10.7545	27.1607	135
cluster_7.pdb ( medoid)	11.5009	7.65156	20.2268	88
cluster_8.pdb ( medoid)	10.1514	8.66878	29.8755	88
cluster_9.pdb ( medoid)	5.97693	13.2175	29.3096	79
cluster_10.pdb ( medoid)	5.3945	12.9762	35.3867	70