CABS-dock: 989d96d9b0297be

Project name: 989d96d9b0297be

Status: done

submitted: 2025-12-22 10:07:08, status changed: 2025-12-22 22:57:36

Project settings

Protein sequence(s)	GGSKVTTVVATPGQGPDRPQEVSYTDTKVIGFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHAREPQKFAEELIHRLEAVQ input pdb
Peptide sequence	AAAAAAAIKMLMDLVNERIMALNKKAKK
Simulation mc cycles	50
Peptide secondary structure psipred	CHHHHHHHHHHHHHHHHHHHHHHHHHCC

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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)	20.1144	8.79967	24.032	177
cluster_2.pdb ( medoid)	17.273	7.81569	34.0434	135
cluster_3.pdb ( medoid)	15.2528	3.0814	14.2884	47
cluster_4.pdb ( medoid)	13.322	13.8117	33.8257	184
cluster_5.pdb ( medoid)	12.913	2.01347	10.763	26
cluster_6.pdb ( medoid)	12.7143	14.5505	42.664	185
cluster_7.pdb ( medoid)	12.1659	6.08258	21.5267	74
cluster_8.pdb ( medoid)	11.6465	8.07109	30.2215	94
cluster_9.pdb ( medoid)	5.98465	10.0256	22.5333	60
cluster_10.pdb ( medoid)	1.62691	11.0639	18.8145	18