CABS-dock: C-H-49

Project name: C-H-49_5

Status: done

submitted: 2025-02-04 08:19:54, status changed: 2025-02-05 02:30:31

Project settings

Protein sequence(s)

MNMNVLVLCFVLSVSAEGLHVDRQVTGCSDHDGEQAYNLDGEELWFADFIKKEGVEPQPPFVDHMTYRDGTYQQAEANQQACKTSLDVLRTAMKDFKIEDEPPSSPMIYTRDAVELGGENTLICHVTGFYPAPVHVYWTKNGVDVTEGTSLNVPYPNTDGSFRQTARLKFIAQQGDVYSCTVSHLALDQSLTKIWDVDVQQPSVGPAVFCGVGLSVGLLGVAAGTFFLIKGNECSMASFILSFSLFFITVCTANGFRYYVVNSCEFNSSKLNDIEFTESYYYNKLEYIRFSSSVGKFVGYTEHGIKNAERWNNGPEVISSRGEKERYCLNNVGVDVESALTNTQTLRQASLCGAPSWQTCMLVCSVFDFYPKRIKVSWQRDGQEVTSDVTSTDELADGDWYYQIHSHLEYMPKSGEKISCVVEHASLSKPLITDWDPSMPESERNKIAIGTSGLILGLTLSLAGFIYYKRKAQGRILVPTN input pdb

Peptide sequence

RSEISATDFFETTLS

Simulation mc cycles

Peptide secondary structure psipred

CCCCCHHHHHHHHCC

Flexible regions

108:B - 18:B

100:A - 19:A

Re-submit project

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

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)	25.8262	9.0993	32.4156	235
cluster_2.pdb ( medoid)	22.4452	11.762	32.2125	264
cluster_3.pdb ( medoid)	15.8036	4.30281	16.7899	68
cluster_4.pdb ( medoid)	14.233	5.83153	32.1756	83
cluster_5.pdb ( medoid)	11.054	9.86073	46.0595	109
cluster_6.pdb ( medoid)	10.3525	5.21615	29.792	54
cluster_7.pdb ( medoid)	5.83662	8.05261	18.35	47
cluster_8.pdb ( medoid)	3.55935	15.1713	38.8026	54
cluster_9.pdb ( medoid)	3.53978	14.1252	25.1634	50
cluster_10.pdb ( medoid)	2.59959	13.8483	25.1602	36