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COACH results for job QHD43416

Download the submitted query structure file

COACH Results

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No binding site was predicted by COACH.

TM-SITE Results

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Click to view	Rank	C-score^a	Cluster size^b	Rep Templ^c	Mult Templ^d	Ligands^e	Predicted binding site residues
	1	0.15	2	2zt9G_BS01_III	Download	III(1),ZN(1)	993,1001
	2	0.15	2	2aobB_BS02_S1S	Download	MG(1),S1S(1)	1003,1004
	3	0.13	1	1bhgA_BS01_BMA	Download	BMA(1)	267,269
	4	0.13	1	3udgB_BS05_TMP	Download	TMP(1)	279,283
	5	0.12	1	1vd5A_BS04_GLY	Download	GLY(1)	977,993

(a)	C-score is the confidence score of predicted binding site. C-score ranges [0-1], where a higher score indicates a more reliable prediction.
(b)	Cluster size is the number of templates in a cluster.
(c)	Rep Templ presents a representaive ligand-protein template from a cluster. The template names are: (PDBIDchain)_(BioLiP site #)_(Ligand ID). Click the corresponding template to download the structure.
(d)	Mult Templ provides all ligand-protein complex structures in a cluster, where each ligand is separated by "TER".
(e)	Ligands lists all ligands in a cluster. The numbers in the parentheses are the appearing times of the corresponding ligands. Click the ligand name to visualize its detailed information in BioLiP.

S-SITE Results

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No binding site was predicted by S-SITE.

COFACTOR Results

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Click to view	Rank	C-score^a	PDB Hit	TM-score	RMSD^b	IDEN^c	Cov^d	BS-score^e	Lig. Name	Download Complex	Predicted binding site residues
	1	0.01	3dyoC	0.218	9.11	0.036	0.326	0.58	IPT	Download	577,578
	2	0.01	1jz8B	0.223	9.15	0.051	0.335	0.71	LAK	Download	36,275
	3	0.01	3cmvB	0.201	9.42	0.039	0.306	0.53	ANP	Download	294,295,297,298,299,300,312
	4	0.01	3dyoB	0.223	9.20	0.051	0.335	0.95	IPT	Download	1002,1006
	5	0.01	3dyoA	0.223	9.17	0.053	0.336	0.72	IPT	Download	278,279,280,285,286,287

(a)	C-score is the confidence score of predicted binding site. C-score values range in between [0-1]; where a higher score indicates a more reliable prediction.
(b)	RMSD the RMSD between residues that are structurally aligned by TM-align.
(c)	IDEN is the percentage sequence identity in the structurally aligned region.
(d)	Cov represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.
(e)	BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.

FINDSITE Results

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No binding site was predicted by FINDSITE.

ConCavity Results

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Click to view	Rank	C-score	Predicted binding residues
	1	0.54	303,305,309,310,312,313,662,725,947,950,953,954,957,961,970,999,1002,1003,1006,1010,1014,1021,1028,1041,1042,1044
	2	0.28	740,743,744,745,855,856,966,975,976,978,1000
	3	0.28	828,833,836,847,851,860,956,959,960
	4	0.23	549

Please cite the following articles when you use the COACH server:
1.	Jianyi Yang, Ambrish Roy and Yang Zhang, Protein-ligand binding site recognition using complementary binding-specific substructure comparison and sequence profile alignment, Bioinformatics, 29: 2588-2595 (2013) (download the PDF file)
2.	Jianyi Yang, Ambrish Roy and Yang Zhang, BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions., Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).