CABS-dock: 1b9fd01141f1f45

Project name: 1b9fd01141f1f45

Status: done

submitted: 2026-01-16 18:23:56, status changed: 2026-01-17 02:41:05

Project settings

Protein sequence(s)	HQPGENCQNKCGNITIEYPFGISSGCYYPGNESFSITCKEDRPHVLSDIEVANFNHSGQLQVLLNRSSTCYDEQGKKTEEDSSFTLENLSLSANNKLTAVGCNALSLLDTFGMQNYSTACLSLCDSPPEADGECNGRGCCRVDVSAPLDSYTFETTSGRIKHMTSFHDFSPCTYAFLVEDDKFNFSSTEDLLNLRNVMRFPVLLDWSVGNQTCEQVGSTSICGGNSTCLDSTPRNGYICRCNEGFDGNPYLSAGCQDVNECTTSSTIHRHNCSDPKTCRNKVGGFYCKCQSGYRLDTTTMSCKRKEF input pdb
Peptide sequence	TIDNVHAQNVGEDLITVKGEGGAAV
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCEEEECCCCCCC

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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)	32.6076	3.18944	22.1499	104
cluster_2.pdb ( medoid)	29.7051	4.30903	10.082	128
cluster_3.pdb ( medoid)	24.8258	5.47818	27.3603	136
cluster_4.pdb ( medoid)	20.3215	2.26362	5.75334	46
cluster_5.pdb ( medoid)	14.5126	5.09902	18.4447	74
cluster_6.pdb ( medoid)	12.2244	6.54427	25.7998	80
cluster_7.pdb ( medoid)	10.224	9.19403	21.5056	94
cluster_8.pdb ( medoid)	9.19209	11.4229	41.8275	105
cluster_9.pdb ( medoid)	8.08647	3.46257	11.3933	28
cluster_10.pdb ( medoid)	7.44419	14.105	28.2271	105