CABS-dock: 4DVY-first

Project name: 4DVY-first_sequence

Status: done

submitted: 2026-04-19 12:54:06, status changed: 2026-04-19 15:35:46

Project settings

Protein sequence(s)	QQFINNLQVAFIKVDNVVASFDPDQKPIVDKNDRDNRQAFDGISQLREEYSNKAIKNPTKKNQYFSDFIDKSNDLINKDNLIDVESSTKSFQKFGDQRYQIFTSWVSMQKDPSKINTRSIRNFMENIIQPPIPDDKEKAEFLKSAKQSFAGIIIGNQIRTDQKFMGVFDESLKERQEAEKNGGPTGGDWLDIFLSFIFALSSVLMGSHNGIEKVSLLYAGNGGFGDKHDWNATVGYKNVATLINVHMKNGSGLVIAGGEKGINNPSFYLYKEDQLTGSQRALSQEEIRNKVDFMEFLAQNNTKLDNLSEKEKEKFQNEIEDFQKDSKAYLDALGNDRIAFVSKKDTKHSALITEFNNGDLSYTLKDYNVTLQGSLKHDGVMFVDYSFNKVAVFNLPDLNNLAITSFVRRNLENKLTAKGLSLQEANKLIKDFLSSNKELAGKALNFNKAVAEAKSTGNYDEVKKAQKDLEKSLRKREHLEKEVEKKLESKSNKMEAKAQANSQKDEIFALINKEANRDARAIAYTQNLKGIKRELSDKLEKISKDLKDFSKSFDEFKEETLKALKGSVKDLGINPEWISKVENLNAALNEFKNFSKVTQAKSDLENSVKDVIINQKVTDKVDNLNQAVSVAKAMGDFSRVEQVLADLKNFSKEQLA input pdb
Peptide sequence	AWKEKIRKKLKNEIKKKGRKAVIAW
Simulation mc cycles	5
Peptide secondary structure psipred	CHHHHHHHHHHHHHHHHCCCHHCCC

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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)	104.494	0.956997	1.82468	100
cluster_2.pdb ( medoid)	26.4618	3.77903	16.0999	100
cluster_3.pdb ( medoid)	20.552	4.28183	9.04667	88
cluster_4.pdb ( medoid)	20.1542	2.53049	6.13579	51
cluster_5.pdb ( medoid)	14.9523	9.965	26.7323	149
cluster_6.pdb ( medoid)	14.0112	7.13717	13.4479	100
cluster_7.pdb ( medoid)	11.9209	11.1569	40.0841	133
cluster_8.pdb ( medoid)	8.95779	18.8663	47.4797	169
cluster_9.pdb ( medoid)	2.4719	12.5409	21.764	31
cluster_10.pdb ( medoid)	1.72588	6.95297	14.2295	12