CABS-dock: SR-1

Project name: SR-1

Status: done

submitted: 2025-04-22 09:37:11, status changed: 2025-04-22 22:16:26

Project settings

Protein sequence(s)	VNKRMSMVVSGLTPEEFMLVYKFARKHHITLTNLITEETTHVVMKTDAEFVCERTLKYFLGIAGGKWVVSYFWVTQSIKERKMLNEHDFEVRGDVVNGRNHQGPKRARESSQDRKIFRGLEICCYGPFTNMPTDQLEWMVQLCGASVVKELSSFTLGTGVHPIVVVQPDAWWNGFHAIGQMCEAPVVTREWVLDSVALYQCQELDTYLIPQIPACSPQFGVNKRMSMVVSGLTPEEFMLVYKFARKHHITLTNLITEETTHVVMKTDAEFVCERTLKYFLGIAGGKWVVSYFWVTQSIKERKMLNNEHDFEVRGDVVNGRNHQGPKRARESQDRKIFRGLEICCYGPFTNMPTDQLEWMVQLCGASVVKELSSFTLGTGVHPIVVVQPDAWNGFHAIGQMCEAPVVTREWVLDSVALYQCQELDTYLIPQIPCSPQFGG input pdb
Peptide sequence	IPWM
Simulation mc cycles	50
Peptide secondary structure psipred	CCCC

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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 3Dmol (WebGL)

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

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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)	46.0597	5.01523	31.5279	231
cluster_2.pdb ( medoid)	26.2514	5.37114	32.7251	141
cluster_3.pdb ( medoid)	25.6286	6.04793	32.02	155
cluster_4.pdb ( medoid)	14.1167	10.3423	42.7807	146
cluster_5.pdb ( medoid)	10.7808	6.58581	29.5667	71
cluster_6.pdb ( medoid)	9.04273	11.8327	44.2511	107
cluster_7.pdb ( medoid)	4.04019	9.40551	22.7881	38
cluster_8.pdb ( medoid)	3.77143	11.6667	40.4922	44
cluster_9.pdb ( medoid)	3.0315	13.1948	35.2003	40
cluster_10.pdb ( medoid)	2.33263	11.5749	27.256	27