CABS-dock: 505ad7bd1e25a0b

Project name: 505ad7bd1e25a0b

Status: done

submitted: 2025-08-25 10:11:14, status changed: 2025-08-25 19:11:18

Project settings

Protein sequence(s)	VLLLDVTPLSLGIETMGGVMTTLIAKNTTIPTKHSQVFSTAEDNQSAVTIHVLQGERKRAADNKSLGQFNLDGINPAPRGMPQIEVTFDIDADGILHVSAKDKNSGKEQKITIKASSGLNEDEIQKMVRDAEANAEADRKFEELVQTRNQGDHLLHSTRKQVEEAGDKLPADDKTAIESALTALETALKGEDKAAIEAKMQELAQVSQKLMEIKLYLPRPTVLLLDVTPLSLGIETMGGVMTTLIAKNTTIPTKHSQVFSTAEDNQSAVTIHVLQGERKRAADNKSLGQFNLDGINPAPRGMPQIEVTFDIDADGILHVSAKDKNSGKEQKITIKASSGLNEDEIQKMVRDAEANAEADRKFEELVQTRNQGDHLLHSTRKQVEEAGDKLPADDKTAIESALTALETALKGEDKAAIEAKMQELAQVSQKLMEIAQKLYLPRPT input pdb
Peptide sequence	AAAAAAAAAAAAAAAAAAA
Simulation mc cycles	50
Peptide secondary structure psipred	CHHHHHHHHHHHHHHHHHC

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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

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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)	54.7363	1.84521	22.3837	101
cluster_2.pdb ( medoid)	52.7763	1.8569	15.7199	98
cluster_3.pdb ( medoid)	32.1514	3.39021	17.8367	109
cluster_4.pdb ( medoid)	30.0179	1.16597	4.10728	35
cluster_5.pdb ( medoid)	18.9839	3.42395	6.90737	65
cluster_6.pdb ( medoid)	13.9168	8.40711	24.9615	117
cluster_7.pdb ( medoid)	8.49309	13.5404	49.6767	115
cluster_8.pdb ( medoid)	8.49014	5.7714	14.0127	49
cluster_9.pdb ( medoid)	6.53774	12.6955	23.3347	83
cluster_10.pdb ( medoid)	2.05195	15.595	28.2987	32