CABS-dock: ddce9edff513eff

Project name: ddce9edff513eff

Status: done

submitted: 2025-12-27 06:04:31, status changed: 2025-12-27 14:12:19

Project settings

Protein sequence(s)	QYQVGPLLGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGELPNGTRVPMEVVLLKKVSSGFSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIGGQVFFRQRVSECQHLIRWCLALRPSDRPTFEEIQNHPWMQDVLLPQETAEIHLHKRRRHPS input pdb
Peptide sequence	IKHHVSRSHHFLNTIEPEVCLTRCH
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCHHHHHCCCCCCCCCCCC

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 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)	22.8131	5.4793	40.2516	125
cluster_2.pdb ( medoid)	20.0222	6.59267	26.0855	132
cluster_3.pdb ( medoid)	15.5644	8.03113	32.1266	125
cluster_4.pdb ( medoid)	14.6678	10.1583	39.8329	149
cluster_5.pdb ( medoid)	10.6077	10.1813	23.7213	108
cluster_6.pdb ( medoid)	7.92056	11.6153	45.5591	92
cluster_7.pdb ( medoid)	6.80656	16.014	44.5864	109
cluster_8.pdb ( medoid)	5.23554	11.2691	25.5487	59
cluster_9.pdb ( medoid)	4.48243	14.278	38.656	64
cluster_10.pdb ( medoid)	3.21501	11.5085	24.976	37