CABS-dock: 2jni

Project name: 2jni

Status: done

submitted: 2025-12-12 15:59:59, status changed: 2025-12-12 19:37:10

Project settings

Protein sequence(s)	SSPSEGLCPPGHHISEDGRDCISCKYGQDYSTHWNDLLFCLRCTRCDSGEVELSPCTTTRNTVCQCEEGTFREEDSPEMCRKCRTGCPRGMVKVGDCTPWSDIECVHK input pdb
Peptide sequence	RWCVYAYVRIRGVLVRYRRCW
Simulation mc cycles	50
Peptide secondary structure psipred	CEEEEEEEEEEEEEEEEEECC

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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)	40.8289	6.61297	26.9732	270
cluster_2.pdb ( medoid)	23.7036	4.80939	26.4587	114
cluster_3.pdb ( medoid)	14.2566	6.80385	30.3336	97
cluster_4.pdb ( medoid)	10.6972	7.47862	19.2944	80
cluster_5.pdb ( medoid)	10.0887	9.51563	24.6101	96
cluster_6.pdb ( medoid)	8.46377	11.3425	27.6012	96
cluster_7.pdb ( medoid)	6.53724	13.0024	24.6081	85
cluster_8.pdb ( medoid)	5.7694	14.9062	26.9268	86
cluster_9.pdb ( medoid)	4.41738	10.187	28.265	45
cluster_10.pdb ( medoid)	2.135	14.5199	29.9027	31