CABS-dock: 1aqd_A-D

Project name: 1aqd_A-D_ITRNVPVRL

Status: done

submitted: 2023-06-02 08:52:34, status changed: 2023-06-03 01:49:45

Project settings

Protein sequence(s)	EEHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFDGSDWRFLRGYHQYARPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQRRAAVDTYCRHNYGVGESFTVQRRVEPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRAEEHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWE input pdb
Peptide sequence	ITRNVPVRL
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCC

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)	28.6912	4.35674	14.8244	125
cluster_2.pdb ( medoid)	27.7996	4.38855	38.1721	122
cluster_3.pdb ( medoid)	25.9508	3.85344	13.0912	100
cluster_4.pdb ( medoid)	23.488	5.36444	33.6702	126
cluster_5.pdb ( medoid)	15.649	9.13796	34.2263	143
cluster_6.pdb ( medoid)	13.7791	7.03966	21.3896	97
cluster_7.pdb ( medoid)	11.6333	7.99427	18.5949	93
cluster_8.pdb ( medoid)	8.65404	8.89758	29.9638	77
cluster_9.pdb ( medoid)	5.97395	9.37403	19.2975	56
cluster_10.pdb ( medoid)	5.16613	11.8077	30.1231	61