CABS-dock: lac 1

Project name: lac 1

Status: done

submitted: 2026-03-14 17:07:05, status changed: 2026-03-15 01:05:27

Project settings

Protein sequence(s)	MVPKAEATLQDTPAPSAGSDLSLSKRLTPEVFLALAASLDPEPGHPLRPHFWGVPGTVQAQRGPSCLASNGRRPPIVLVEEATPGPKDRPGGIRGTAWLGARPGLAGWPSSCIRPRAHCLSPPLPAELRSVTPAAAMKCLLLALALTCGAQALIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI input pdb
Peptide sequence	AEPEQ
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCC

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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)	21.6834	8.02458	29.082	174
cluster_2.pdb ( medoid)	14.5007	9.172	36.9086	133
cluster_3.pdb ( medoid)	14.3165	8.9407	25.7317	128
cluster_4.pdb ( medoid)	10.8222	10.9035	35.7495	118
cluster_5.pdb ( medoid)	10.1711	8.94691	31.9927	91
cluster_6.pdb ( medoid)	9.79329	9.80263	31.0383	96
cluster_7.pdb ( medoid)	9.23932	8.11748	26.2561	75
cluster_8.pdb ( medoid)	8.02698	9.8418	27.6423	79
cluster_9.pdb ( medoid)	6.54156	9.93647	25.1758	65
cluster_10.pdb ( medoid)	2.69879	15.192	42.3731	41