D-I-TASSER Q8TER0-D3

D-I-TASSER results for Q8TER0-D3

[Click result.zip to download all results on this page]

Input Sequence in FASTA format

>Q8TER0 (191 residues)
SCVDLVGNYTCLCAEPFKGLRCETGDHPVPDACLSAPCHNGGTCVDADQGYVCECPEGFM
GLDCRERVPDDCECRNGGRCLGANTTLCQCPLGFFGLLCEFEIGPCHNGGTCFHYIGKYK
CDCPPGFSGRHCEIAPSPCFRSPCVNGGTCEDRDTDFFCHCQAGYMGRRCQAEVDCGPPE
EVKHATLRFNG

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 \| \| \| \| \| \| \| \| \| SCVDLVGNYTCLCAEPFKGLRCETGDHPVPDACLSAPCHNGGTCVDADQGYVCECPEGFMGLDCRERVPDDCECRNGGRCLGANTTLCQCPLGFFGLLCEFEIGPCHNGGTCFHYIGKYKCDCPPGFSGRHCEIAPSPCFRSPCVNGGTCEDRDTDFFCHCQAGYMGRRCQAEVDCGPPEEVKHATLRFNG
Prediction	CCSCCCCCSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSCCCCCSSSSCCCCCSCCCCCSCCCCCCCCCCCCSSSCCCCSSSSCCCCCSCCCCCCCCCCCCCCCSSSCCCCCSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCSSSCCCCCSSSSCCCCCSCCCCCCCCCCCCCCCCCCCCSSCCC
Confidence	95657996598849995136776677787778889998999788757994697869993528950246889987899689469964988499950488766688678998888379942888589853587765677788999889978875899569885998524777877777899985898673389
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 \| \| \| \| \| \| \| \| \| SCVDLVGNYTCLCAEPFKGLRCETGDHPVPDACLSAPCHNGGTCVDADQGYVCECPEGFMGLDCRERVPDDCECRNGGRCLGANTTLCQCPLGFFGLLCEFEIGPCHNGGTCFHYIGKYKCDCPPGFSGRHCEIAPSPCFRSPCVNGGTCEDRDTDFFCHCQAGYMGRRCQAEVDCGPPEEVKHATLRFNG
Prediction	74414544042424622405404464354212036320414032324743042413542406414352347140414020335741434346445154033433464150333124330434245224164123411303633442402231454304332443033634644254056424413010327
	Values range from 0 (buried residue) to 8 (highly exposed residue)

Predicted Contact, Hydrogen and Distance Map Used in D-I-TASSER simulation

Contact Map

Distance Map

Hydrogen bond networks

D-I-TASSER simulation is guided by the consensus contact map (left figure), distance map (middle figure) and Hydrogen bond network (right figure) derived based on confidence scores of DeepPotential. In the contact, distance map and hydrogen bond networks, the axes mark the residue index along the sequence. For the contact map, each dot represents a residue pair with predicted contact, while for the distance map and hydrogen bond network, a color scale represents a distance of 1-20+ angstroms or a angle of 0-180 degree.

Top 10 threading templates used by D-I-TASSER

Rank

PDB
hit

ID1

ID2

Cov

Norm.
Zscore

Download
alignment

                  20                  40                  60                  80                 100                 120                 140                 160                 180

                   |                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCSCCCCCSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSCCCCCSSSSCCCCCSCCCCCSCCCCCCCCCCCCSSSCCCCSSSSCCCCCSCCCCCCCCCCCCCCCSSSCCCCCSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCSSSCCCCCSSSSCCCCCSCCCCCCCCCCCCCCCCCCCCSSCCC
SCVDLVGNYTCLCAEPFKGLRCETGDHPVPDACLSAPCHNGGTCVDADQGYVCECPEGFMGLDCRERVPDDCECRNGGRCLGANTTLCQCPLGFFGLLCEFEIGPCHNGGTCFHYIGKYKCDCPPGFSGRHCEIAPSPCFRSPCVNGGTCEDRDTDFFCHCQAGYMGRRCQAEVDCGPPEEVKHATLRFNG

4xbmB

0.24

0.17

5.24

0.83

DEthreader

-------------PRD------------NPGWPICPCDEQHGFCDK--PGECKCRVGWQGRY-CDECITCQNCQEWGGL--------FCN---QD---LNYCHHKPCKNATCTNTGQSYTCSCRPGYTGATCELGIDECDPSPCKNGGSCTDLENSYSCTCPPGFYGKICLSAM--D-----------GGY

5uk5A

0.35

0.31

9.23

3.99

SPARKS-K

TCHNSHGGYNCVCVNGWTGEDCSE----NIDDCASAACFQGATCHDRVASFYCECPHGRTGLLCHLNDAISNPCNEGSNCDTNPKAICTCPSGYTGPACSQDVDPCEHAGKCLNTLGSFECQCLQGYTGPRCEIDVNECISNPCQNDATCLDQIGEFQCICMPGYEGVYCESGR-----------------

5uk5A

0.35

0.31

9.23

0.97

MapAlign

TCHNSHGGYNCVCVNGWTGEDCSENI----DDCASAACFQGATCHDRVASFYCECPHGRTGLLCHLNDACSNPCNEGSNCDTNGKAICTCPSGYTGPACSQDVNPCEHAGKCLNTLGSFECQCLQGYTGPRCEIDVNECISNPCQNDATCLDQIGEFQCICMPGYEGVYCESGR-----------------

5uk5A

0.35

0.31

9.23

0.92

CEthreader

TCHNSHGGYNCVCVNGWTGEDCSENI----DDCASAACFQGATCHDRVASFYCECPHGRTGLLCHLNACISNPCNEGSNCDTNGKAICTCPSGYTGPACSQDVNPCEHAGKCLNTLGSFECQCLQGYTGPRCEIDVNECISNPCQNDATCLDQIGEFQCICMPGYEGVYCESGR-----------------

5uk5A

0.35

0.31

9.23

2.72

MUSTER

TCHNSHGGYNCVCVNGWTGEDCSE----NIDDCASAACFQGATCHDRVASFYCECPHGRTGLLCHNDACISNPCNEGSNCDTNGKAICTCPSGYTGPACSQDVDPCEHAGKCLNTLGSFECQCLQGYTGPRCEIDVNECISNPCQNDATCLDQIGEFQCICMPGYEGVYCESGR-----------------

4xbmB

0.34

0.33

9.88

2.02

HHsearch

GRTDLKYSYRFVCDEHYYGEGCTEPICLPGDECIRYPGCLHGTCQQ---PWQCNCQEGWGGLFCNQDLNYHKPCKNGATCTNTGSYTCSCRPGYTGATCELGISPCKNGGSCTDLENSYSCTCPPGFYGKICELSAMTCADGPCFNGGRCSDSPDGYSCRCPVGYSGFNCEKKDYCSSS-PCSNAKCVDGD

4xbmB

0.32

0.31

9.48

1.00

FFAS-3D

GRTDLKYSYRFVCDEHYYGEGCSVFCRPRDDAFGHFTCGERGEKVCNPGPWQCNCQEGWGGLFCNQDLNKPCKNGATCTNTGQGSYTCSCRPGYTGATCECDPSPCKNGGSCTDLENSYSCTCPPGFYGKICELSAMTCADGPCFNGGRCSDSDGGYSCRCPVGYSGFNCEKKIDYCSSSPCSNGAKCVD-

5uk5A

0.33

0.29

8.66

1.22

EigenThreader

GTCHSHGGYNCVCVNGWTG----EDCSENIDDCASAACFQGATCHDRVASFYCECPHGRTGLLCHLNDACISNPCNGSNCDTVNGKAICCPSGYTGPACSQDECPCEHAGKCLNTLGSFECQCLQGYTGPRCEIDVNECISNPCQNDATCLDQIGEFQCICMPGYGVYCESGR------------------

5uk5A

0.35

0.31

9.23

6.13

CNFpred

TCHNSHGGYNCVCVNGWTGEDCSEN----IDDCASAACFQGATCHDRVASFYCECPHGRTGLLCHLNDACSNPCNEGSNCDTNGKAICTCPSGYTGPACSQDV-PCEHAGKCLNTLGSFECQCLQGYTGPRCEIDVNECISNPCQNDATCLDQIGEFQCICMPGYEGVYCESGR-----------------

5uk5A

0.27

0.20

6.28

0.83

DEthreader

-----------------NCVCVNGWCSENIDDCASAACFQGATCHDRVASFYCECPHGRTGLLCHLNDACSNPC--NEGSNCDTNAIC-C---GYTACSQDV---PCEHGCLNTLG-SFECQCLQGYTGPRCIDVNECIS-NPCQNDATCLDQIGEFQCICMPGYEGVYCES----------------GR-

(a)	ID1 is the number of template residues identical to query divided by number of aligned residues.
(b)	ID2 is the number of template residues identical to query divided by query sequence length.
(c)	Cov is equal the number of aligned template residues divided by query sequence length.
(d)	Norm. Zscore is the normalized Z-score of the threading alignments. A Normalized Z-score >1 means a good alignment and is highlighted in bold.
(e)	Download alignment lists the threading program used to identify the template, and provide the 3D structure of aligned regions of threading templates (threading[1-10].pdb.gz).
(f)	Template residues identical to query sequence are highlighted in color.

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.4918

(a)

D-I-TASSER simulations generate a large ensemble of structural conformations, i.e. decoys. These decoys are clustered by SPICKER based on pairwise structure similarity to report up to five final models from the five largest clusters. Models are ranked in descending order of cluster size. If the simulations converge well, it is possible to have less than 5 models generated, which is usually an indication of good model quality.

(b)

The model confidence is quantitatified by estimated TM-score (eTM-score), calculated based on significance of threading template alignments, contact map satisfaction rate, mean absolute error between distance of model and distance of DeepPotential, and convergence of D-I-TASSER simulations. eTM-score is typically in the range of [0, 1], with higher eTM-score signifies higher model confidence.

Proteins with similar structure

Top 10 structural analogs in PDB (as identified by TM-align)

Rank	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	Download Alignment
1	5uk5A	0.83	1.51	0.335	0.890	model1_5uk5A.pdb.gz
2	4xbmB	0.55	4.53	0.185	0.785	model1_4xbmB.pdb.gz
3	5mwbA	0.48	2.32	0.339	0.571	model1_5mwbA.pdb.gz
4	2vj3A	0.48	2.91	0.304	0.586	model1_2vj3A.pdb.gz
5	3hmjG	0.44	5.82	0.028	0.827	model1_3hmjG.pdb.gz
6	7nriA	0.44	5.02	0.050	0.728	model1_7nriA.pdb.gz
7	1ojyC	0.44	5.16	0.112	0.738	model1_1ojyC.pdb.gz
8	6yejA	0.44	5.38	0.037	0.749	model1_6yejA.pdb.gz
9	5l5gA	0.44	5.63	0.056	0.796	model1_5l5gA.pdb.gz
10	2q3zA	0.44	5.79	0.055	0.796	model1_2q3zA.pdb.gz

(a)	Query structure is shown in cartoon, while the structural analog is displayed using backbone trace.
(b)	Ranking of proteins is based on TM-score of the structural alignment between the query structure and known structures in the PDB library.
(c)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(e)	Cov. represents the coverage of the alignment by TM-align and is equal to the number of structurally aligned residues divided by length of the query protein.

Predicted Gene Ontology (GO) Terms

Molecular Function (MF)

GO term	Cscore^GO	Name
GO:0005102	0.75	receptor binding
GO:0046872	0.71	metal ion binding
GO:0005509	0.70	calcium ion binding
GO:0005112	0.65	Notch binding
GO:0004872	0.53	receptor activity
GO:0046983	0.52	protein dimerization activity
GO:0044877	0.52	macromolecular complex binding
GO:0046982	0.51	protein heterodimerization activity
GO:0019899	0.51	enzyme binding
GO:0004857	0.51	enzyme inhibitor activity
GO:0003677	0.50	DNA binding

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Molecular Function. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Biological Process (BP)

GO term	Cscore^GO	Name
GO:0044699	0.92	single-organism process
GO:0032502	0.88	developmental process
GO:0065007	0.87	biological regulation
GO:0050789	0.86	regulation of biological process
GO:0050794	0.85	regulation of cellular process
GO:0009987	0.84	cellular process
GO:0044767	0.83	single-organism developmental process
GO:0044763	0.83	single-organism cellular process
GO:0009653	0.76	anatomical structure morphogenesis
GO:0051239	0.74	regulation of multicellular organismal process
GO:0050793	0.74	regulation of developmental process
GO:0048583	0.74	regulation of response to stimulus
GO:2000026	0.73	regulation of multicellular organismal development
GO:0045595	0.73	regulation of cell differentiation
GO:0048523	0.72	negative regulation of cellular process
GO:0044707	0.72	single-multicellular organism process
GO:0060284	0.71	regulation of cell development
GO:0048856	0.71	anatomical structure development
GO:0048518	0.71	positive regulation of biological process
GO:0022603	0.71	regulation of anatomical structure morphogenesis
GO:0050767	0.70	regulation of neurogenesis
GO:0009966	0.70	regulation of signal transduction
GO:0048522	0.69	positive regulation of cellular process
GO:0045664	0.69	regulation of neuron differentiation
GO:0051241	0.67	negative regulation of multicellular organismal process
GO:0051093	0.67	negative regulation of developmental process
GO:0048584	0.67	positive regulation of response to stimulus
GO:0045596	0.66	negative regulation of cell differentiation
GO:0007389	0.66	pattern specification process
GO:0007165	0.66	signal transduction
GO:0050768	0.65	negative regulation of neurogenesis
GO:0048729	0.65	tissue morphogenesis
GO:0009967	0.65	positive regulation of signal transduction
GO:0008593	0.65	regulation of Notch signaling pathway
GO:0003002	0.65	regionalization
GO:0048869	0.64	cellular developmental process
GO:0048598	0.64	embryonic morphogenesis
GO:0045665	0.64	negative regulation of neuron differentiation
GO:0035239	0.64	tube morphogenesis
GO:0007166	0.64	cell surface receptor signaling pathway
GO:0002009	0.64	morphogenesis of an epithelium
GO:0097150	0.63	neuronal stem cell population maintenance
GO:0045747	0.63	positive regulation of Notch signaling pathway
GO:0016043	0.63	cellular component organization
GO:0009952	0.63	anterior/posterior pattern specification
GO:0003143	0.63	embryonic heart tube morphogenesis
GO:0070986	0.62	left/right axis specification
GO:0051128	0.62	regulation of cellular component organization
GO:0045662	0.62	negative regulation of myoblast differentiation
GO:0045608	0.62	negative regulation of auditory receptor cell differentiation
GO:0014807	0.62	regulation of somitogenesis
GO:0007386	0.62	compartment pattern specification
GO:0001947	0.62	heart looping
GO:0006928	0.59	movement of cell or subcellular component
GO:0048589	0.58	developmental growth
GO:0048513	0.58	animal organ development
GO:0010769	0.58	regulation of cell morphogenesis involved in differentiation
GO:0030154	0.57	cell differentiation
GO:0080090	0.56	regulation of primary metabolic process
GO:0060255	0.56	regulation of macromolecule metabolic process
GO:0048646	0.56	anatomical structure formation involved in morphogenesis
GO:0040011	0.56	locomotion
GO:0031323	0.56	regulation of cellular metabolic process
GO:0030030	0.56	cell projection organization
GO:0090287	0.55	regulation of cellular response to growth factor stimulus
GO:0060560	0.55	developmental growth involved in morphogenesis
GO:0051240	0.55	positive regulation of multicellular organismal process
GO:0050896	0.55	response to stimulus
GO:0048585	0.55	negative regulation of response to stimulus
GO:0040008	0.55	regulation of growth
GO:0032989	0.55	cellular component morphogenesis
GO:0016477	0.55	cell migration
GO:0010468	0.55	regulation of gene expression
GO:0009888	0.55	tissue development
GO:0051130	0.54	positive regulation of cellular component organization
GO:0051094	0.54	positive regulation of developmental process
GO:0048858	0.54	cell projection morphogenesis
GO:0048468	0.54	cell development
GO:0032879	0.54	regulation of localization
GO:0009968	0.54	negative regulation of signal transduction
GO:0007219	0.54	Notch signaling pathway
GO:0006355	0.54	regulation of transcription, DNA-templated
GO:0051179	0.53	localization
GO:0042127	0.53	regulation of cell proliferation
GO:0040012	0.53	regulation of locomotion
GO:0010720	0.53	positive regulation of cell development
GO:0007409	0.53	axonogenesis
GO:0006357	0.53	regulation of transcription from RNA polymerase II promoter
GO:0051716	0.52	cellular response to stimulus
GO:0051270	0.52	regulation of cellular component movement
GO:0051234	0.52	establishment of localization
GO:0048732	0.52	gland development
GO:0048638	0.52	regulation of developmental growth
GO:0044702	0.52	single organism reproductive process
GO:0042221	0.52	response to chemical
GO:0032101	0.52	regulation of response to external stimulus
GO:0031325	0.52	positive regulation of cellular metabolic process
GO:0010605	0.52	negative regulation of macromolecule metabolic process
GO:0010604	0.52	positive regulation of macromolecule metabolic process
GO:0006950	0.52	response to stress
GO:0002376	0.52	immune system process
GO:1902531	0.51	regulation of intracellular signal transduction
GO:0090100	0.51	positive regulation of transmembrane receptor protein serine/threonine kinase signaling pathway
GO:0071310	0.51	cellular response to organic substance
GO:0060429	0.51	epithelium development
GO:0051049	0.51	regulation of transport
GO:0050920	0.51	regulation of chemotaxis
GO:0050790	0.51	regulation of catalytic activity
GO:0050769	0.51	positive regulation of neurogenesis
GO:0048639	0.51	positive regulation of developmental growth
GO:0048514	0.51	blood vessel morphogenesis
GO:0045892	0.51	negative regulation of transcription, DNA-templated
GO:0045765	0.51	regulation of angiogenesis
GO:0044087	0.51	regulation of cellular component biogenesis
GO:0042981	0.51	regulation of apoptotic process
GO:0040017	0.51	positive regulation of locomotion
GO:0035107	0.51	appendage morphogenesis
GO:0031099	0.51	regeneration
GO:0030510	0.51	regulation of BMP signaling pathway
GO:0030334	0.51	regulation of cell migration
GO:0030155	0.51	regulation of cell adhesion
GO:0021515	0.51	cell differentiation in spinal cord
GO:0010770	0.51	positive regulation of cell morphogenesis involved in differentiation
GO:0010628	0.51	positive regulation of gene expression
GO:0009790	0.51	embryo development
GO:0009605	0.51	response to external stimulus
GO:0008285	0.51	negative regulation of cell proliferation
GO:0008284	0.51	positive regulation of cell proliferation
GO:0008104	0.51	protein localization
GO:0006810	0.51	transport
GO:0003006	0.51	developmental process involved in reproduction
GO:0002682	0.51	regulation of immune system process
GO:0002064	0.51	epithelial cell development
GO:0001889	0.51	liver development
GO:0001763	0.51	morphogenesis of a branching structure
GO:2000177	0.50	regulation of neural precursor cell proliferation
GO:1903706	0.50	regulation of hemopoiesis
GO:1903670	0.50	regulation of sprouting angiogenesis
GO:1902533	0.50	positive regulation of intracellular signal transduction
GO:1901700	0.50	response to oxygen-containing compound
GO:0090288	0.50	negative regulation of cellular response to growth factor stimulus
GO:0072073	0.50	kidney epithelium development
GO:0061314	0.50	Notch signaling involved in heart development
GO:0060837	0.50	blood vessel endothelial cell differentiation
GO:0060627	0.50	regulation of vesicle-mediated transport
GO:0060271	0.50	cilium morphogenesis
GO:0060253	0.50	negative regulation of glial cell proliferation
GO:0051272	0.50	positive regulation of cellular component movement
GO:0050922	0.50	negative regulation of chemotaxis
GO:0048844	0.50	artery morphogenesis
GO:0048754	0.50	branching morphogenesis of an epithelial tube
GO:0045944	0.50	positive regulation of transcription from RNA polymerase II promoter
GO:0045685	0.50	regulation of glial cell differentiation
GO:0044765	0.50	single-organism transport
GO:0043537	0.50	negative regulation of blood vessel endothelial cell migration
GO:0043207	0.50	response to external biotic stimulus
GO:0043086	0.50	negative regulation of catalytic activity
GO:0043066	0.50	negative regulation of apoptotic process
GO:0042246	0.50	tissue regeneration
GO:0035295	0.50	tube development
GO:0033993	0.50	response to lipid
GO:0033554	0.50	cellular response to stress
GO:0032870	0.50	cellular response to hormone stimulus
GO:0030513	0.50	positive regulation of BMP signaling pathway
GO:0030326	0.50	embryonic limb morphogenesis
GO:0022404	0.50	molting cycle process
GO:0016525	0.50	negative regulation of angiogenesis
GO:0016202	0.50	regulation of striated muscle tissue development
GO:0015031	0.50	protein transport
GO:0014070	0.50	response to organic cyclic compound
GO:0010718	0.50	positive regulation of epithelial to mesenchymal transition
GO:0010243	0.50	response to organonitrogen compound
GO:0009912	0.50	auditory receptor cell fate commitment
GO:0007283	0.50	spermatogenesis
GO:0006955	0.50	immune response
GO:0006952	0.50	defense response
GO:0006915	0.50	apoptotic process
GO:0003206	0.50	cardiac chamber morphogenesis
GO:0002683	0.50	negative regulation of immune system process
GO:0002011	0.50	morphogenesis of an epithelial sheet
GO:0001701	0.50	in utero embryonic development
GO:0000904	0.50	cell morphogenesis involved in differentiation
GO:0000122	0.50	negative regulation of transcription from RNA polymerase II promoter

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Biological Process. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Cellular Component (CC)

GO term	Cscore^GO	Name
GO:0044464	0.82	cell part
GO:0044421	0.62	extracellular region part
GO:0016020	0.59	membrane
GO:0005886	0.56	plasma membrane
GO:0044425	0.54	membrane part
GO:0044424	0.52	intracellular part
GO:0043226	0.51	organelle
GO:0016021	0.50	integral component of membrane

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Cellular Component. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Predicted Enzyme Commission (EC) Numbers

Top 5 enzyme homologs in PDB

Rank	Cscore^EC	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	EC Number	Predicted Active Site Residues
1	0.060	2x0sA	0.345	5.86	0.042	0.639	2.7.9.1	NA
2	0.060	2vkzG	0.395	5.77	0.044	0.728	2.3.1.38 3.1.2.14	NA
3	0.060	1wd8A	0.375	5.95	0.035	0.707	3.5.3.15	NA
4	0.060	2gblA	0.367	5.93	0.046	0.665	2.7.11.1	NA
5	0.060	2zy2A	0.251	5.75	0.044	0.456	4.1.1.12	NA

	Click on the radio buttons to visualize predicted active site residues.
(a)	Cscore^EC is the confidence score for the Enzyme Commission (EC) number prediction. Cscore^EC values range in between [0-1]; where a higher score indicates a more reliable EC number prediction.
(b)	TM-score is a measure of global structural similarity between query and template protein.
(c)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(e)	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.

Predicted Ligand Binding Sites

Template proteins with similar binding site:

Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues
1	0.01	2uvcG	0.390	5.73	0.051	0.717	0.11	FMN	complex1.pdb.gz	61,68,69,83
2	0.01	2iopD	0.338	5.96	0.030	0.639	0.20	ADP	complex2.pdb.gz	42,59,68,69
3	0.01	2iopA	0.389	5.63	0.034	0.712	0.20	ADP	complex3.pdb.gz	78,103,104,114,115
4	0.01	1w7i0	0.299	5.17	0.022	0.503	0.33	III	complex4.pdb.gz	64,83,85,87,98,101
5	0.01	2r1dH	0.172	4.57	0.022	0.267	0.35	III	complex5.pdb.gz	111,125,129,130,131
6	0.01	1w7jA	0.297	5.75	0.063	0.539	0.15	UUU	complex6.pdb.gz	148,161,163,164,184
7	0.01	1kv3A	0.351	5.23	0.036	0.597	0.23	GDP	complex7.pdb.gz	73,75,76,77,101,102
8	0.01	2iopB	0.388	5.82	0.050	0.723	0.18	ADP	complex8.pdb.gz	40,55,59
9	0.01	2uvaG	0.406	5.79	0.044	0.749	0.12	FMN	complex9.pdb.gz	105,108,121,122
10	0.01	1h030	0.268	3.83	0.167	0.377	0.35	III	complex10.pdb.gz	101,104,105

	Click on the radio buttons to visualize predicted binding site and residues.
(a)	Cscore^LB is the confidence score of predicted binding site. Cscore^LB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction.
(b)	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.
(c)	TM-score is a measure of global structural similarity between query and template protein.
(d)	RMSD^a the RMSD between residues that are structurally aligned by TM-align.
(e)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(f)	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.

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References:
1.	Wei Zheng, Qiqige Wuyun, Yang Li, Quancheng Liu, Xiaogen Zhou, Yiheng Zhu, P. Lydia Freddolino, Yang Zhang. Integrating deep learning potentials with I-TASSER for single- and multi-domain protein structure prediction. Submitted. 2023.