CABS-dock: C-H-62

Project name: C-H-62_3

Status: done

submitted: 2025-02-04 08:20:34, status changed: 2025-02-05 01:59:07

Project settings

Protein sequence(s)

MNMNVLVLCFVLSVSAEGLHVDRQVTGCSDHDGEEVYNLDGEEMWFADFIKREGVEPQPPFIDHITYQDGTYQTAEANQQTCKSNLDVVRTAMKDFKIEDEPPSSPMIYTRDAVELGGENTLICHVTGFYPAPVHVYWTKNGVDVTEGTSLNVPYPNTDGSFRQTARLKFIAQQGDVYSCTVSHLALDQSLTKIWDVDVQQPSVGPAVFCGVGLSVGLLGVAAGTFFLIKGNECSMASFILSFSLFFITVCTANGFRYYVVNSCEFNSSKLNDIEFTESYYYNKLEYIRFSSSVGKFVGYTEHGIKNAERWNNGPEVISSRGEKERYCLNNVGVDVESALTNTQTLRQASLCGAPSWQTCMLVCSVFDFYPKRIKVSWQRDGQEVTSDVTSTDELADGDWYYQIHSHLEYMPKSGEKISCVVEHASLSKPLITDWDPSMPESERNKIAIGTSGLILGLTLSLAGFIYYKRKAQGRILVPTN input pdb

Peptide sequence

TDFFETTLSRVLKDL

Simulation mc cycles

Peptide secondary structure psipred

CCHHHHHHHHHHHCC

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

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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)	75.5519	1.37654	4.77614	104
cluster_2.pdb ( medoid)	28.0643	3.56325	7.80817	100
cluster_3.pdb ( medoid)	20.3252	5.85481	21.9826	119
cluster_4.pdb ( medoid)	18.3688	5.7162	13.0789	105
cluster_5.pdb ( medoid)	18.3328	5.12743	10.7276	94
cluster_6.pdb ( medoid)	15.6881	13.0672	41.6409	205
cluster_7.pdb ( medoid)	14.3715	3.4791	7.81277	50
cluster_8.pdb ( medoid)	11.6693	7.88396	18.5814	92
cluster_9.pdb ( medoid)	11.3164	4.15325	8.62766	47
cluster_10.pdb ( medoid)	10.9618	7.66295	21.1695	84