D-I-TASSER Q9NV66-D1

D-I-TASSER results for Q9NV66-D1

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

Input Sequence in FASTA format

>Q9NV66 (311 residues)
MDPSADTWDLFSPLISLWINRFYIYLGFAVSISLWICVQIVIKTQGKNLQEKSVPKAAQD
LMTNGYVSLQEKDIFVSGVKIFYGSQTGTAKGFATVLAEAVTSLDLPVAIINLKEYDPDD
HLIEEVTSKNVCVFLVATYTDGLPTESAEWFCKWLEEASIDFRFGKTYLKGMRYAVFGLG
NSAYASHFNKVGKNVDKWLWMLGAHRVMSRGEGDCDVVKSKHGSIEADFRAWKTKFISQL
QALQKGERKKSCGGHCKKGKCESHQHGSEEREEGSHEQDELHHRDTEEEEPFESSSEEEF
GGEDHQSLNSI

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MDPSADTWDLFSPLISLWINRFYIYLGFAVSISLWICVQIVIKTQGKNLQEKSVPKAAQDLMTNGYVSLQEKDIFVSGVKIFYGSQTGTAKGFATVLAEAVTSLDLPVAIINLKEYDPDDHLIEEVTSKNVCVFLVATYTDGLPTESAEWFCKWLEEASIDFRFGKTYLKGMRYAVFGLGNSAYASHFNKVGKNVDKWLWMLGAHRVMSRGEGDCDVVKSKHGSIEADFRAWKTKFISQLQALQKGERKKSCGGHCKKGKCESHQHGSEEREEGSHEQDELHHRDTEEEEPFESSSEEEFGGEDHQSLNSI
Prediction	CCCCHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSSCCCHHHHHHHHHHHHHHHHCCCCSSSSCHHHCCHHHHHHHHCCCCCSSSSSSCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCSSSSSSCCCCCHHHHHHHHHHHHHHHHHHHCCSSSSCCSSSCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Confidence	99623467899899997306233356899999999998751132576543345666543333455433000236898679999759628999999999999980997499477882502233441567866999985789999972189999999853633346765578975999815286068999898999999999919907453265137764334566789999999999999997346766667788665678522112333345777655664333356667555555434688877777889
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MDPSADTWDLFSPLISLWINRFYIYLGFAVSISLWICVQIVIKTQGKNLQEKSVPKAAQDLMTNGYVSLQEKDIFVSGVKIFYGSQTGTAKGFATVLAEAVTSLDLPVAIINLKEYDPDDHLIEEVTSKNVCVFLVATYTDGLPTESAEWFCKWLEEASIDFRFGKTYLKGMRYAVFGLGNSAYASHFNKVGKNVDKWLWMLGAHRVMSRGEGDCDVVKSKHGSIEADFRAWKTKFISQLQALQKGERKKSCGGHCKKGKCESHQHGSEEREEGSHEQDELHHRDTEEEEPFESSSEEEFGGEDHQSLNSI
Prediction	83353421430130110323421010022331133222100023354435556445445544566445356563543300000000011013005410530473605030220530334313344235420000000012413204303400410354345354545204302000000113302510130043015104723042004103011434643552024204521550052047236366554445535555244443447454645557451434426474424434666444544744628
	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 AttentionPotential. 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                 200                 220                 240                 260                 280                 300

                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSSCCCHHHHHHHHHHHHHHHHCCCCSSSSCHHHCCHHHHHHHHCCCCCSSSSSSCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCSSSSSSCCCCCHHHHHHHHHHHHHHHHHHHCCSSSSCCSSSCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MDPSADTWDLFSPLISLWINRFYIYLGFAVSISLWICVQIVIKTQGKNLQEKSVPKAAQDLMTNGYVSLQEKDIFVSGVKIFYGSQTGTAKGFATVLAEAVTSLDLPVAIINLKEYDPDDHLIEEVTSKNVCVFLVATYTDGLPTESAEWFCKWLEEASIDFRFGKTYLKGMRYAVFGLGNSAYASHFNKVGKNVDKWLWMLGAHRVMSRGEGDCDVVKSKHGSIEADFRAWKTKFISQLQALQKGERKKSCGGHCKKGKCESHQHGSEEREEGSHEQDELHHRDTEEEEPFESSSEEEFGGEDHQSLNSI

1tllA

0.25

0.15

4.69

0.83

DEthreader

-------------------------------------------------------------------------AKRVKATILYATETGKSQAYAKTLCEIFK-HAFDAKAMSMEEYDIV-HLE-H--E-ALVLVVTSTFGNGDPPENGEKFGCALMEMRHE-----GPLANVRFSVFGLGSRA-YPHFCAFGHAVDTLLEELGGERILKMREGDELC------GQEEAFRTWAKKVFKAACDVFCVGDDVNIESNDLLQQ-A------KEQRLLYWKWGRDNRLRSE------------------------

5gxuA

0.32

0.23

6.77

1.88

SPARKS-K

----------------------------------------------------------------------------KKVTIFFGTQTGTAEGFAKALGEEAKARKTRFKIVDLDDYAADDDEEEKLKKEDVAFFFLATYGDGEPTDNAARFYKWFTEGN----DRGEWLKNLKYGVFGLGNRQY-EHFNKVAKVVDDILVEQGAQRLVQVGLGDDDQ------CIEDDFTAWREALWPELDTILYT-------VFDAQHPYKANVAVKRELHTPESDRSCIHLEFDIAGSGLTYETGDHVGVLCDNLSETV

1tllA

0.21

0.15

4.70

0.84

MapAlign

---------------------------------------------------------------------------RVKATILYATETGKSQAYAKTLCEIFKHA-FDAKAMSMEEYDI-----VHLEHEALVLVVTSTFGNGDPPENGEKFGCALMEMRVRFNSVSGPLANVRFSVFGLGSRAY-PHFCAFGHAVDTLLEELGGERILKMREGDELC------GQEEAFRTWAKKVFKAACDVFCVGDDVNNHVVKVEMLEERNTALGVISNWKDESRLPPCTIFQAFKYYLDITTPPTPLQLQQFA----

1tllA

0.21

0.15

4.89

0.52

CEthreader

-------------------------------------------------------------------------AKRVKATILYATETGKSQAYAKTLCEIFK-HAFDAKAMSMEEYDIVHL-----EHEALVLVVTSTFGNGDPPENGEKFGCALMEMRHEFNSVSGPLANVRFSVFGLGSRAY-PHFCAFGHAVDTLLEELGGERILKMREGDEL------CGQEEAFRTWAKKVFKAACDVFCVGDDVNIESNDRSWKRNKFRLTYVAEAPDLTQGLSNVHKKRVSAARLLSRQNLQSPKSSRSTIFVR

2bf4A

0.22

0.15

4.88

1.27

MUSTER

----------------------------------------------------------------NRDIAQVVTENNKNYLVLYASQTGTAEDYAKKFSKELVAKFLNVMCADVENYDFESLNDVP----VIVSIFISTYGEGDFPDGAVNFEDFICNAE------AGALSNLRYNMFGLGNSTYE-FFNGAAKKAEKHLSAAGAIRLGKLGEADDG-----AGTTDEDYMAWKDSILEVLKDELHLDEQEAKFTSQ----------FQYTVLNEITDSMSLGEPSAHYLPSHQLNRNADGIQLGPFDLSQP

2bf4A

0.24

0.17

5.42

3.11

HHsearch

----------------------------------------------------------------NRDIAQVVTENNKNYLVLYASQTGTAEDYAKKFSKELVAKNLNVMCADVENYDFESLND-----VVIVSIFISTYGEGDFPDGAVNFEDFICNAE------AGALSNLRYNMFGLGNSTYE-FFNGAAKKAEKHLSAAGAIRLGKLGEADDG-----AGTTDEDYMAWKDSILEVLKDELHLDEQTSQGPFDLSQPYIAPIVKSRELFS-SNDRNCIHSEFDLSGSNIKYSTGDHLAVWPSNPLEKV

3hr4A

0.23

0.14

4.24

1.76

FFAS-3D

----------------------------------------------REIPLKVLVKAVLFACMLMRKTMAS----RVRVTILFATETGKSEALAWDLGALF-SCAFNPKVVCMDKYRLSCL-----EEERLLLVVTSTFGNGDCPGNGEKLKKSLFML-------KELNNKFRYAVFGLGSSMY-PRFCAFAHDIDQKLSHLGASQLTPMGEGDEL------SGQEDAFRSWAVQTFKAACETFDVRGKQHIQIPK-------------------------------------------------------

7k15A

0.13

0.11

3.77

0.93

EigenThreader

TWSFGLAGCRLCHYVCGVSMYASVWLITAMSLDRYLAVARPFVSQKLR-----TKAMARRVLAGIWVLSFLLATPARRAKAVYGSTTGNTEYTAETIARELADA--GYEVDAA---SVE--AGGLFEGFDLVLLGCSTWGDDELQDDFIPLFDSLEETG--------AQGRKVACFGCGDSSWEY--FCGAVDAIEEKLKNLGAEIVQDGLRIDG--------DPRAARDDIVGWAHDVRGAIRRFRRSRRTGRALAGQAA-------------------------GLGLVSVNPVLYAFAGGGLLRSAGV

5gxuA

0.32

0.23

6.77

1.58

CNFpred

-----------------------------------------------------------------------------KVTIFFGTQTGTAEGFAKALGEEAKAEKTRFKIVDLDDYAADDEYEEKLKKEDVAFFFLATYGDGEPTDNAARFYKWFTEGN----DRGEWLKNLKYGVFGLGNRQY-EHFNKVAKVVDDILVEQGAQRLVQVGLGDDDQ------CIEDDFTAWREALWPELDTIL-------YTVFDAQHPYKANVAVKRELHTPESDRSCIHLEFDIAGSGLTYETGDHVGVLCDNLSETV

1ja0A

0.32

0.20

5.90

0.83

DEthreader

-----------------------------------------------------KKTG-------------------RNIIVFYGSQTGTAEEFANRLSKDAHRYGMRGMSADPEEYDLADLSSLPEIDKSLVVFCMATYGEGDPTDNAQDFYDWLQETD----V-D--LTGVKFAVFGLGNKTY-EHFNAMGKYVDQRLEQLGAQRIFELGLGDDDG------NLEEDFITWREQFWPAVCEFFG-VEATGEESTNYLKMSGEG----L-LSWVARRAK---N----------------------------

(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	0.6535

(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 AttentionPotential, 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	1ja0A	0.57	3.30	0.268	0.649	model1_1ja0A.pdb.gz
2	2bf4A	0.56	3.73	0.213	0.656	model1_2bf4A.pdb.gz
3	6t1tA	0.56	3.39	0.253	0.640	model1_6t1tA.pdb.gz
4	1tllA	0.54	2.94	0.204	0.598	model1_1tllA.pdb.gz
5	3hr4A	0.53	1.81	0.219	0.553	model1_3hr4A.pdb.gz
6	4h2dA	0.49	1.58	0.253	0.508	model1_4h2dA.pdb.gz
7	1ykgA	0.46	1.19	0.267	0.469	model1_1ykgA.pdb.gz
8	2m6rA	0.44	2.29	0.201	0.479	model1_2m6rA.pdb.gz
9	1ofvA	0.44	2.21	0.189	0.476	model1_1ofvA.pdb.gz
10	1bu5A	0.43	2.12	0.200	0.463	model1_1bu5A.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:0016491	0.99	oxidoreductase activity
GO:1901363	0.87	heterocyclic compound binding
GO:0097159	0.87	organic cyclic compound binding
GO:0000166	0.83	nucleotide binding
GO:0032553	0.82	ribonucleotide binding
GO:0016651	0.81	oxidoreductase activity, acting on NAD(P)H
GO:0030586	0.80	[methionine synthase] reductase activity
GO:0003958	0.80	NADPH-hemoprotein reductase activity
GO:0048037	0.79	cofactor binding
GO:0050660	0.78	flavin adenine dinucleotide binding
GO:0010181	0.78	FMN binding
GO:0050661	0.73	NADP binding
GO:0016705	0.66	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0009055	0.66	electron carrier activity
GO:0019899	0.54	enzyme binding
GO:0016787	0.54	hydrolase activity
GO:0047726	0.52	iron-cytochrome-c reductase activity
GO:0008941	0.52	nitric oxide dioxygenase activity
GO:0004128	0.52	cytochrome-b5 reductase activity, acting on NAD(P)H

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:0009987	0.89	cellular process
GO:0008152	0.88	metabolic process
GO:0044699	0.85	single-organism process
GO:0065007	0.84	biological regulation
GO:0050789	0.82	regulation of biological process
GO:0044237	0.82	cellular metabolic process
GO:0050794	0.81	regulation of cellular process
GO:0071704	0.80	organic substance metabolic process
GO:0050790	0.77	regulation of catalytic activity
GO:0048518	0.77	positive regulation of biological process
GO:0044238	0.77	primary metabolic process
GO:0044710	0.76	single-organism metabolic process
GO:0019222	0.76	regulation of metabolic process
GO:0080090	0.75	regulation of primary metabolic process
GO:0048522	0.75	positive regulation of cellular process
GO:0044763	0.75	single-organism cellular process
GO:0044093	0.75	positive regulation of molecular function
GO:0031326	0.75	regulation of cellular biosynthetic process
GO:0009893	0.75	positive regulation of metabolic process
GO:0065008	0.74	regulation of biological quality
GO:0043085	0.74	positive regulation of catalytic activity
GO:0031328	0.74	positive regulation of cellular biosynthetic process
GO:0051239	0.73	regulation of multicellular organismal process
GO:0006807	0.73	nitrogen compound metabolic process
GO:0051240	0.72	positive regulation of multicellular organismal process
GO:0050896	0.72	response to stimulus
GO:0043170	0.71	macromolecule metabolic process
GO:0034641	0.71	cellular nitrogen compound metabolic process
GO:0044260	0.70	cellular macromolecule metabolic process
GO:0044281	0.68	small molecule metabolic process
GO:1901360	0.64	organic cyclic compound metabolic process
GO:0009605	0.64	response to external stimulus
GO:0009058	0.63	biosynthetic process
GO:1901564	0.62	organonitrogen compound metabolic process
GO:0043412	0.62	macromolecule modification
GO:0042221	0.62	response to chemical
GO:0006082	0.62	organic acid metabolic process
GO:0055114	0.61	oxidation-reduction process
GO:0044249	0.61	cellular biosynthetic process
GO:0010033	0.61	response to organic substance
GO:0072593	0.60	reactive oxygen species metabolic process
GO:0051716	0.60	cellular response to stimulus
GO:0019752	0.60	carboxylic acid metabolic process
GO:1901700	0.59	response to oxygen-containing compound
GO:0048583	0.59	regulation of response to stimulus
GO:0048519	0.59	negative regulation of biological process
GO:0044267	0.59	cellular protein metabolic process
GO:0071310	0.58	cellular response to organic substance
GO:0060255	0.58	regulation of macromolecule metabolic process
GO:0048523	0.58	negative regulation of cellular process
GO:0046209	0.58	nitric oxide metabolic process
GO:0044248	0.58	cellular catabolic process
GO:0006464	0.58	cellular protein modification process
GO:0044712	0.57	single-organism catabolic process
GO:0023051	0.57	regulation of signaling
GO:0018193	0.57	peptidyl-amino acid modification
GO:0010646	0.57	regulation of cell communication
GO:0006629	0.57	lipid metabolic process
GO:1901701	0.56	cellular response to oxygen-containing compound
GO:1901576	0.56	organic substance biosynthetic process
GO:0044255	0.56	cellular lipid metabolic process
GO:0043086	0.56	negative regulation of catalytic activity
GO:0042981	0.56	regulation of apoptotic process
GO:0032787	0.56	monocarboxylic acid metabolic process
GO:0032268	0.56	regulation of cellular protein metabolic process
GO:0009966	0.56	regulation of signal transduction
GO:2000026	0.55	regulation of multicellular organismal development
GO:0051346	0.55	negative regulation of hydrolase activity
GO:0043066	0.55	negative regulation of apoptotic process
GO:0042127	0.55	regulation of cell proliferation
GO:0010605	0.55	negative regulation of macromolecule metabolic process
GO:0009725	0.55	response to hormone
GO:0090346	0.54	cellular organofluorine metabolic process
GO:0071417	0.54	cellular response to organonitrogen compound
GO:0051248	0.54	negative regulation of protein metabolic process
GO:0051094	0.54	positive regulation of developmental process
GO:0048584	0.54	positive regulation of response to stimulus
GO:0043434	0.54	response to peptide hormone
GO:0042493	0.54	response to drug
GO:0032770	0.54	positive regulation of monooxygenase activity
GO:0031324	0.54	negative regulation of cellular metabolic process
GO:0022603	0.54	regulation of anatomical structure morphogenesis
GO:0019395	0.54	fatty acid oxidation
GO:0010817	0.54	regulation of hormone levels
GO:0007584	0.54	response to nutrient
GO:0090031	0.53	positive regulation of steroid hormone biosynthetic process
GO:0071375	0.53	cellular response to peptide hormone stimulus
GO:0071372	0.53	cellular response to follicle-stimulating hormone stimulus
GO:0070988	0.53	demethylation
GO:0060192	0.53	negative regulation of lipase activity
GO:0046210	0.53	nitric oxide catabolic process
GO:0045880	0.53	positive regulation of smoothened signaling pathway
GO:0045542	0.53	positive regulation of cholesterol biosynthetic process
GO:0043602	0.53	nitrate catabolic process
GO:0043154	0.53	negative regulation of cysteine-type endopeptidase activity involved in apoptotic process
GO:0032332	0.53	positive regulation of chondrocyte differentiation
GO:0018393	0.53	internal peptidyl-lysine acetylation
GO:0009812	0.53	flavonoid metabolic process
GO:0009437	0.53	carnitine metabolic process
GO:0003420	0.53	regulation of growth plate cartilage chondrocyte proliferation
GO:0044711	0.52	single-organism biosynthetic process
GO:1901362	0.51	organic cyclic compound biosynthetic process
GO:0007165	0.51	signal transduction

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:0044424	1.00	intracellular part
GO:0044444	0.93	cytoplasmic part
GO:0043229	0.89	intracellular organelle
GO:0043231	0.84	intracellular membrane-bounded organelle
GO:0005737	0.79	cytoplasm
GO:0005829	0.66	cytosol
GO:0044422	0.65	organelle part
GO:0044446	0.64	intracellular organelle part
GO:0016020	0.60	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	0.324	3hr4A	0.525	1.81	0.219	0.553	1.14.13.39	88,138,180,211,226
2	0.060	2bf4A	0.563	3.73	0.213	0.656	1.6.2.4	NA
3	0.060	1b1cA	0.491	1.72	0.372	0.514	1.6.2.4	83,85,89,137,179,196
4	0.060	3gnoA	0.441	6.24	0.052	0.736	3.2.1.21	139
5	0.060	1gowA	0.443	6.42	0.056	0.749	3.2.1.23	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:

Click to view	Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues
	1	0.31	1j9zA	0.570	3.28	0.272	0.649	1.59	FMN	complex1.pdb.gz	85,86,87,89,90,137,138,139,140,179,180,181,184,187,188,189,225
	2	0.04	2bf4B	0.563	3.73	0.217	0.656	0.84	FMN	complex2.pdb.gz	89,92,93,96,214,226

	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.

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

References:
1.	Wei Zheng, Chengxin Zhang, Yang Li, Robin Pearce, Eric W. Bell, Yang Zhang. Folding non-homology proteins by coupling deep-learning contact maps with I-TASSER assembly simulations. In preparation, 2020.