CABS-dock: 3ff307e79f4c4b6

Project name: 3ff307e79f4c4b6

Status: done

submitted: 2025-12-29 08:44:48, status changed: 2025-12-29 10:47:39

Project settings

Protein sequence(s)	MVTKYGRNLGLNKVELFAIWAVLVVALLLTTANIYWIADQFGIHLATGTARKLLDAMASGASLGTAFAAILGVTLPAWALAAAGALGATAA input pdb
Peptide sequence	RLGAVILFV
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCEEEEC

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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

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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)	66.8993	2.51124	7.88951	168
cluster_2.pdb ( medoid)	53.3674	2.47342	17.6347	132
cluster_3.pdb ( medoid)	42.9139	2.35355	9.70518	101
cluster_4.pdb ( medoid)	39.7495	3.29564	9.5521	131
cluster_5.pdb ( medoid)	30.615	3.23371	9.53871	99
cluster_6.pdb ( medoid)	28.2583	3.43261	10.4617	97
cluster_7.pdb ( medoid)	23.5159	4.93283	11.4916	116
cluster_8.pdb ( medoid)	17.3453	3.86271	8.48494	67
cluster_9.pdb ( medoid)	7.77006	5.14797	12.3433	40
cluster_10.pdb ( medoid)	6.82491	7.17958	14.1737	49