CABS-dock: Docking project

Project name: Docking project

Status: done

submitted: 2025-10-20 12:42:01, status changed: 2025-10-21 16:44:10

Project settings

Protein sequence(s)	IKEEHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFDTRPRFLWQPKRECHFFNGTERVRFLDRYFYNQEESVRFDSDVGEFRAVTELGRPDAEYWNSQKDILEQARAAVDTYCRHNYGVVESFTVQRRVQPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFLNGQEEKAGMVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRA input pdb
Peptide sequence	VSKWRMATPLLMQAL
Simulation mc cycles	100
Peptide secondary structure psipred	CCCHHCHHHHHHHHC

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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 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)	52.7742	3.16442	28.0125	167
cluster_2.pdb ( medoid)	34.0113	4.61612	9.89511	157
cluster_3.pdb ( medoid)	32.7088	1.40635	5.00269	46
cluster_4.pdb ( medoid)	32.0629	3.52432	8.49816	113
cluster_5.pdb ( medoid)	24.0817	4.65083	14.5474	112
cluster_6.pdb ( medoid)	23.6411	3.21474	10.9854	76
cluster_7.pdb ( medoid)	15.7222	7.12369	32.3302	112
cluster_8.pdb ( medoid)	9.39411	8.30308	23.1047	78
cluster_9.pdb ( medoid)	7.64871	7.45224	30.0589	57
cluster_10.pdb ( medoid)	5.00287	16.3906	35.4465	82