CABS-dock: PCY1

Project name: PCY1

Status: done

submitted: 2025-05-09 12:45:12, status changed: 2025-05-10 10:36:43

Project settings

Protein sequence(s)	MATSGFSKPLHYPPVRRDETVVDDYFGVKVADPYRWLEDPNSEETKEFVDNQEKLANSVLEECELIDKFKQKIIDFVNFPRCGVPFRRANKYFHFYNSGLQAQNVFQMQDDLDGKPEVLYDPNLREGGRSGLSLYSVSEDAKYFAFGIHSGLTEWVTIKILKTEDRSYLPDTLEWVKFSPAIWTHDNKGFFYCPYPPLSAVNQEARYHFLGTDQSEDILLWRDLENPAHHLKCQITDDGKYFLLYILDGCCDDANKVYCCLDLTKLPNGLESFRSAPFMKLIDSFDASYTAIANDGSVFTFQTNKDAPRKKLVRVDLNNPSVWTDLVPESKKDLLESAHAVNENQLILRYLSDVKHVLEIRDLESGALQHRLPIDIGSVDGITARRRDSVVFFKFTTSILTPGIVYQCDLKNDPTQLKIFRESVVPDFDRSEFEVKQVFVPSKDGTKIPIFIAARKGISLDGSHPCEMMHGYGGFGINMMPTFSASRIVFLKHLGGVFCLANIRGGGEYGEEWHKAGFRDKKQNVFDDFISAAEYLISSGYTKARRVAIEGGANGGLLVAACINQRPDLFGCAEANCCGVMDMLRFHKFTLGYLWTGDYGCSDKEEEEFKWLIKYSPIHNVRRPWEQPGNEETQYPATMILTADHDDRVVPLHSFKLLATMQHVLCTSLEDSPQKNPIIARIQRKAAHYGRATMTQIAEVADRYGFMAKALEAPWID input pdb
Peptide sequence	FSASYSSKPIQTNASAPV
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCCCCC

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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

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)	30.6306	3.46059	29.6463	106
cluster_2.pdb ( medoid)	20.8747	7.8085	25.5466	163
cluster_3.pdb ( medoid)	19.927	5.41977	38.7549	108
cluster_4.pdb ( medoid)	12.4246	10.1412	28.2727	126
cluster_5.pdb ( medoid)	8.80517	11.2434	25.7907	99
cluster_6.pdb ( medoid)	5.08807	20.0469	39.0401	102
cluster_7.pdb ( medoid)	4.57185	15.3111	34.263	70
cluster_8.pdb ( medoid)	4.0258	18.1331	35.2075	73
cluster_9.pdb ( medoid)	3.46469	16.163	35.0159	56
cluster_10.pdb ( medoid)	2.62504	15.2379	29.8455	40