D-I-TASSER Q8IXJ6-D1

D-I-TASSER results for Q8IXJ6-D1

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

Input Sequence in FASTA format

>Q8IXJ6 (287 residues)
MAEPDPSHPLETQAGKVQEAQDSDSDSEGGAAGGEADMDFLRNLFSQTLSLGSQKERLLD
ELTLEGVARYMQSERCRRVICLVGAGISTSAGIKPTICHYFMRLLKDKGLLLRCYTQNID
TLERIAGLEQEDLVESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPR
LLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELE
DLVRREHASIDAQSGAGVPNPSTSASPKKSPPPAKDEARTTEREKPQ

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAEPDPSHPLETQAGKVQEAQDSDSDSEGGAAGGEADMDFLRNLFSQTLSLGSQKERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQSGAGVPNPSTSASPKKSPPPAKDEARTTEREKPQ
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHCCCCSSSSSHHHHHHCCCCCCCCHHHHHHHHHHHHCCSCCCCCCCCCCCCCCCCCCCCCSCCCCCHHHHHHHHHHHHHCCSSSSCCCCCCSSHHHCCHHHCCCCCCSSSSSCCCCCCCCCCHHHHCCCCCCCCCCCCCCCCHHHSCCCHHHHHHHHHHHHCCHHHHHHHHHHCCHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Confidence	99888888866554323445677763334555676646674789999820224334677779878899999844997398772123330047999736799999887188024666688853324677711001578289999999999839977871788711011113244158997899937678876531122114566533355776121000288699999999994996899998761200122202667888755555323677653100256554799
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAEPDPSHPLETQAGKVQEAQDSDSDSEGGAAGGEADMDFLRNLFSQTLSLGSQKERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQSGAGVPNPSTSASPKKSPPPAKDEARTTEREKPQ
Prediction	84575475345564664565654645456545556442520341034216435545403651306201411656604300200131233115141230130042057443035234441442443242335300442454015204500650210001144041430240053037400000002230444442233344444414143541220011003014003200640405520550166645414555455545565545576455545555456556568
	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

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

SS
Seq

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHCCCCSSSSSHHHHHHCCCCCCCCHHHHHHHHHHHHCCSCCCCCCCCCCCCCCCCCCCCCSCCCCCHHHHHHHHHHHHHCCSSSSCCCCCCSSHHHCCHHHCCCCCCSSSSSCCCCCCCCCCHHHHCCCCCCCCCCCCCCCCHHHSCCCHHHHHHHHHHHHCCHHHHHHHHHHCCHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MAEPDPSHPLETQAGKVQEAQDSDSDSEGGAAGGEADMDFLRNLFSQTLSLGSQKERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQSGAGVPNPSTSASPKKSPPPAKDEARTTEREKPQ

1j8fA

0.88

0.60

16.86

1.00

DEthreader

--------------------------------------------------------RLLDELTLEGVARYMQSERCRRVICLVGAGISTSAIFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEGVLARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKA---GQSDPFLGMIMGGGMDFDSKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQ--S-------------------------------

1j8fA

1.00

0.73

20.49

1.62

SPARKS-K

---------------------------------GEADMDFLRNLF-----------RLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQS---------------------------------

1j8fA

0.94

0.68

19.07

0.97

MapAlign

---------------------------------------EADMDFLRNL------FRLLDELTLEGVARYMQSERCRRVICLVGAGISTSAQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQ----------------------------------

1j8fA

0.94

0.69

19.26

0.79

CEthreader

--------------------------------------------GEADMDFLRNLFRLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEALPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQS---------------------------------

5ol0A2

0.44

0.28

8.16

1.19

MUSTER

---------------------------------------------------APHQEHVLGEPTLEGLAHYIREKNVRRILVLVGAGASVAAGIQPTAVHHFIRLLQDEGRLLRCCTQNIDGLEKAAGVSPELLVEGLPDAFFDALHHDAPIAELVIIIGTSMQVHPFALLPCVVPKSVPRVVMNRERV---------------GGLLFRFDVCRDVLFRGDCQENVVTLAEYLGLSEALAKRMRLSD----------------------------------------

1j8fA

1.00

0.73

20.49

3.70

HHsearch

---------------------------------GEADMDFLRNLF-----------RLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQS---------------------------------

3gluA2

0.51

0.31

8.87

1.58

FFAS-3D

------------------------------------------------------------KLSLQDVAELIRARACQRVVVMVGAGISTPSGIKPNVTHYFLRLLHDKGLLLRLYTQNIDGLERVSGIPASKLVEAQ---RFLLHVVDFPMADLLLILGTSLEVEPFASLTEAVRSSVPRLLINRDLVGPLAW----------------HPRSRDVAQLGDVVHGVESLVELLGWTEEMRDLVQRETGKL-------------------------------------

1j8fA

0.93

0.68

19.17

0.95

EigenThreader

--------------------------------GEADMDFLRNLF------------RLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQS---------------------------------

3zgvA

0.99

0.68

19.03

1.71

CNFpred

--------------------------------------------------------RLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEALPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQ----------------------------------

3gluA

0.51

0.31

8.98

1.00

DEthreader

-----------------------------------------------------------GKLSLQDVAELIRARACQRVVVMVGAGISTPSIYKPNVTHYFLRLLHDKGLLLRLYTQNIDGLERVSGIPASKLVEGLPQRF-LLHVVDFPMADLLLILGTSLEVEPFASLTEAVRSSVPRLLINRDLVG---------------PLA-WHPRSRDVAQLGDVVHGVESLVELLGWTEEMRDLVQRETGK-L------------------------------------

(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	0.6922

(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	1j8fA	0.65	1.85	0.919	0.690	model1_1j8fA.pdb.gz
2	5ol0A	0.58	1.96	0.436	0.617	model1_5ol0A.pdb.gz
3	3gluA	0.58	1.76	0.497	0.610	model1_3gluA.pdb.gz
4	1q17C	0.56	2.59	0.371	0.613	model1_1q17C.pdb.gz
5	3k35F1	0.53	2.06	0.230	0.575	model1_3k35F1.pdb.gz
6	2hjhA	0.53	2.70	0.294	0.578	model1_2hjhA.pdb.gz
7	4i5iA1	0.52	1.75	0.394	0.544	model1_4i5iA1.pdb.gz
8	1iciA	0.50	2.32	0.222	0.537	model1_1iciA.pdb.gz
9	1s7gA2	0.49	1.68	0.263	0.523	model1_1s7gA2.pdb.gz
10	2b4yC1	0.48	1.84	0.240	0.509	model1_2b4yC1.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:0003824	0.91	catalytic activity
GO:0016787	0.86	hydrolase activity
GO:0019213	0.85	deacetylase activity
GO:0033558	0.82	protein deacetylase activity
GO:0004407	0.79	histone deacetylase activity
GO:0017136	0.77	NAD-dependent histone deacetylase activity
GO:0034739	0.56	histone deacetylase activity (H4-K16 specific)
GO:0046970	0.55	NAD-dependent histone deacetylase activity (H4-K16 specific)
GO:0044877	0.52	macromolecular complex binding
GO:0042903	0.50	tubulin deacetylase activity

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	0.97	cellular process
GO:0044699	0.92	single-organism process
GO:0065007	0.91	biological regulation
GO:0050794	0.90	regulation of cellular process
GO:0008152	0.87	metabolic process
GO:0071704	0.86	organic substance metabolic process
GO:0044238	0.86	primary metabolic process
GO:0044237	0.86	cellular metabolic process
GO:0060255	0.85	regulation of macromolecule metabolic process
GO:0044260	0.85	cellular macromolecule metabolic process
GO:0016043	0.85	cellular component organization
GO:0080090	0.84	regulation of primary metabolic process
GO:0044763	0.84	single-organism cellular process
GO:0031323	0.84	regulation of cellular metabolic process
GO:0048523	0.83	negative regulation of cellular process
GO:0009892	0.83	negative regulation of metabolic process
GO:0031324	0.82	negative regulation of cellular metabolic process
GO:0010605	0.82	negative regulation of macromolecule metabolic process
GO:0006464	0.78	cellular protein modification process
GO:0006476	0.77	protein deacetylation
GO:0006325	0.76	chromatin organization
GO:0031326	0.75	regulation of cellular biosynthetic process
GO:0048518	0.74	positive regulation of biological process
GO:0032268	0.74	regulation of cellular protein metabolic process
GO:0010468	0.74	regulation of gene expression
GO:0019219	0.73	regulation of nucleobase-containing compound metabolic process
GO:0048522	0.72	positive regulation of cellular process
GO:0010629	0.72	negative regulation of gene expression
GO:0016570	0.71	histone modification
GO:0051248	0.70	negative regulation of protein metabolic process
GO:0016575	0.70	histone deacetylation
GO:0031399	0.68	regulation of protein modification process
GO:0010556	0.68	regulation of macromolecule biosynthetic process
GO:0009890	0.68	negative regulation of biosynthetic process
GO:0006355	0.67	regulation of transcription, DNA-templated
GO:0045934	0.66	negative regulation of nucleobase-containing compound metabolic process
GO:0031327	0.66	negative regulation of cellular biosynthetic process
GO:0010558	0.66	negative regulation of macromolecule biosynthetic process
GO:0051239	0.65	regulation of multicellular organismal process
GO:0045892	0.65	negative regulation of transcription, DNA-templated
GO:0031400	0.65	negative regulation of protein modification process
GO:0031325	0.65	positive regulation of cellular metabolic process
GO:0010604	0.65	positive regulation of macromolecule metabolic process
GO:2000026	0.64	regulation of multicellular organismal development
GO:0050896	0.64	response to stimulus
GO:0009891	0.64	positive regulation of biosynthetic process
GO:0048583	0.63	regulation of response to stimulus
GO:0031328	0.63	positive regulation of cellular biosynthetic process
GO:0045935	0.62	positive regulation of nucleobase-containing compound metabolic process
GO:0042981	0.62	regulation of apoptotic process
GO:0033554	0.62	cellular response to stress
GO:0010628	0.62	positive regulation of gene expression
GO:0019220	0.61	regulation of phosphate metabolic process
GO:0051093	0.59	negative regulation of developmental process
GO:0048585	0.59	negative regulation of response to stimulus
GO:0045595	0.59	regulation of cell differentiation
GO:0044710	0.59	single-organism metabolic process
GO:0043065	0.59	positive regulation of apoptotic process
GO:0051241	0.58	negative regulation of multicellular organismal process
GO:2000378	0.57	negative regulation of reactive oxygen species metabolic process
GO:0070932	0.57	histone H3 deacetylation
GO:0018205	0.57	peptidyl-lysine modification
GO:0007165	0.57	signal transduction
GO:0065009	0.56	regulation of molecular function
GO:0045893	0.56	positive regulation of transcription, DNA-templated
GO:0042221	0.56	response to chemical
GO:0035556	0.56	intracellular signal transduction
GO:0032270	0.56	positive regulation of cellular protein metabolic process
GO:0031331	0.56	positive regulation of cellular catabolic process
GO:0050767	0.55	regulation of neurogenesis
GO:0042127	0.55	regulation of cell proliferation
GO:0034599	0.55	cellular response to oxidative stress
GO:0031667	0.55	response to nutrient levels
GO:0006357	0.55	regulation of transcription from RNA polymerase II promoter
GO:0001932	0.55	regulation of protein phosphorylation
GO:0080134	0.54	regulation of response to stress
GO:0051726	0.54	regulation of cell cycle
GO:0051128	0.54	regulation of cellular component organization
GO:0045936	0.54	negative regulation of phosphate metabolic process
GO:0034983	0.54	peptidyl-lysine deacetylation
GO:0000122	0.54	negative regulation of transcription from RNA polymerase II promoter
GO:0071456	0.53	cellular response to hypoxia
GO:0045944	0.53	positive regulation of transcription from RNA polymerase II promoter
GO:0045862	0.53	positive regulation of proteolysis
GO:0045596	0.53	negative regulation of cell differentiation
GO:0044093	0.53	positive regulation of molecular function
GO:0014013	0.53	regulation of gliogenesis
GO:0010506	0.53	regulation of autophagy
GO:0001933	0.53	negative regulation of protein phosphorylation
GO:0070933	0.52	histone H4 deacetylation
GO:0051101	0.52	regulation of DNA binding
GO:0051130	0.51	positive regulation of cellular component organization
GO:0033043	0.51	regulation of organelle organization
GO:0010033	0.51	response to organic substance
GO:2000777	0.50	positive regulation of proteasomal ubiquitin-dependent protein catabolic process involved in cellular response to hypoxia
GO:1901700	0.50	response to oxygen-containing compound
GO:1900119	0.50	positive regulation of execution phase of apoptosis
GO:0090042	0.50	tubulin deacetylation
GO:0070446	0.50	negative regulation of oligodendrocyte progenitor proliferation
GO:0061433	0.50	cellular response to caloric restriction
GO:0061428	0.50	negative regulation of transcription from RNA polymerase II promoter in response to hypoxia
GO:0051240	0.50	positive regulation of multicellular organismal process
GO:0043388	0.50	positive regulation of DNA binding
GO:0042177	0.50	negative regulation of protein catabolic process
GO:0032502	0.50	developmental process
GO:0010507	0.50	negative regulation of autophagy
GO:0009719	0.50	response to endogenous stimulus

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:0043229	0.97	intracellular organelle
GO:0043231	0.96	intracellular membrane-bounded organelle
GO:0005634	0.86	nucleus
GO:0044446	0.81	intracellular organelle part
GO:0044444	0.81	cytoplasmic part
GO:0005737	0.78	cytoplasm
GO:0044428	0.70	nuclear part
GO:0032991	0.67	macromolecular complex
GO:0044427	0.64	chromosomal part
GO:0044454	0.63	nuclear chromosome part
GO:0005829	0.61	cytosol
GO:0000790	0.59	nuclear chromatin
GO:0005720	0.58	nuclear heterochromatin
GO:0043232	0.56	intracellular non-membrane-bounded organelle
GO:0097458	0.52	neuron part
GO:0044463	0.52	cell projection part
GO:0044430	0.52	cytoskeletal part
GO:0048471	0.51	perinuclear region of cytoplasm
GO:0042995	0.51	cell projection
GO:0005694	0.51	chromosome
GO:0030054	0.50	cell junction
GO:0005819	0.50	spindle
GO:0005813	0.50	centrosome

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	0.067	1j8fA	0.653	1.85	0.919	0.690	3.5.1.-	NA
2	0.066	3glrA	0.574	1.80	0.497	0.610	3.5.1.-	101,132
3	0.060	2q5lA	0.442	4.12	0.088	0.582	4.1.1.74 4.1.1.43	NA
4	0.060	1n0hA	0.456	4.00	0.066	0.578	2.2.1.6	83
5	0.060	2hj0A	0.444	5.26	0.046	0.662	4.1.3.6	86,164,168,181

	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	0.65	1q17A	0.558	2.51	0.375	0.610	1.14	APR	complex1.pdb.gz	84,85,86,89,117,137,159,160,161,164,184,185,186,220,221,222
	2	0.17	3gltA	0.578	1.67	0.497	0.610	0.99	III	complex2.pdb.gz	84,85,86,89,117,159,160,161,163,164,165,166,184,185,220,221,222

	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.