CABS-dock: 53a1e88de2518e3

Project name: 53a1e88de2518e3

Status: done

submitted: 2025-08-25 09:28:51, status changed: 2025-08-25 14:22:46

Project settings

Protein sequence(s)	AHEYAQSVPYGISQIKAPALHSQGYTGSNVKVAVIDSGIDSSHPDLNVRGGASFVPSETNPYQDGSSHGTHVAGTIAALNNSIGVLGVAPSASLYAVKVLDSTGSGQYSWIINGIEWAISNNMDVINMSLGGPTGSTALKTVVDKAVSSGIVVAAAAGNEGSSGSSSTVGYPAKYPSTIAVGAVNSSNQRASFSSAGSELDVMAPGVSIQSTLPGGTYGAYNGTSMATPHVAGAAALILSKHPTWTNAQVRDRLEFSTATFYLFGNSFYYGKGLINVQAAAQ input pdb
Peptide sequence	ANSCNEPCVRQCQ
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCC

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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)	29.4758	4.81751	14.7298	142
cluster_2.pdb ( medoid)	25.8636	6.57295	29.2589	170
cluster_3.pdb ( medoid)	14.6257	9.02518	34.2721	132
cluster_4.pdb ( medoid)	11.7275	10.4882	37.1877	123
cluster_5.pdb ( medoid)	8.35413	11.3716	32.9814	95
cluster_6.pdb ( medoid)	8.11441	6.40835	28.0742	52
cluster_7.pdb ( medoid)	5.56211	10.6075	24.4209	59
cluster_8.pdb ( medoid)	5.33398	16.3105	42.603	87
cluster_9.pdb ( medoid)	5.23698	14.5122	32.589	76
cluster_10.pdb ( medoid)	4.33259	14.7718	31.1276	64