CABS-dock: C-H-246

Project name: C-H-246_3

Status: done

submitted: 2025-02-05 06:52:28, status changed: 2025-02-05 21:02:37

Project settings

Protein sequence(s)

MNMNVLVLCFVLSVSAEGLHVDRQVTGCSDHDGEEVYNLDGEEMWFADFIKREGVEPQPPFIDHITYQDGTYQTAEANQQTCKSNLDVVRTAMKDFKIEDEPPSSPMIYTRDAVELGGENTLICHVTGFYPAPVHVYWTKNGVDVTEGTSLNVPYPNTDGSFRQTARLKFIAQQGDVYSCTVSHLALDQSLTKIWDVDVQQPSVGPAVFCGVGLSVGLLGVAAGTFFLIKGNECSMASFILSFSLFFITVCTANGFRYYVVNSCEFNSSKLNDIEFTESYYYNKLEYIRFSSSVGKFVGYTEHGIKNAERWNNGPEVISSRGEKERYCLNNVGVDVESALTNTQTLRQASLCGAPSWQTCMLVCSVFDFYPKRIKVSWQRDGQEVTSDVTSTDELADGDWYYQIHSHLEYMPKSGEKISCVVEHASLSKPLITDWDPSMPESERNKIAIGTSGLILGLTLSLAGFIYYKRKAQGRILVPTN input pdb

Peptide sequence

KAQDYQAALAEKDAI

Simulation mc cycles

Peptide secondary structure psipred

CHHHHHHHHHHHHCC

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 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)	38.5881	5.2866	23.7716	204
cluster_2.pdb ( medoid)	22.5004	2.66662	30.0249	60
cluster_3.pdb ( medoid)	19.0763	7.54863	46.8026	144
cluster_4.pdb ( medoid)	12.6137	9.90984	43.9267	125
cluster_5.pdb ( medoid)	11.5779	6.9097	20.4363	80
cluster_6.pdb ( medoid)	7.44485	5.23852	13.3984	39
cluster_7.pdb ( medoid)	7.39077	13.801	46.4091	102
cluster_8.pdb ( medoid)	4.13921	13.2875	46.1226	55
cluster_9.pdb ( medoid)	3.99501	18.2728	44.4461	73
cluster_10.pdb ( medoid)	3.0086	18.9457	55.9089	57