D-I-TASSER Q6XQN6-D1

D-I-TASSER results for Q6XQN6-D1

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

Input Sequence in FASTA format

>Q6XQN6 (392 residues)
MAAEQDPEARAAARPLLTDLYQATMALGYWRAGRARDAAEFELFFRRCPFGGAFALAAGL
RDCVRFLRAFRLRDADVQFLASVLPPDTDPAFFEHLRALDCSEVTVRALPEGSLAFPGVP
LLQVSGPLLVVQLLETPLLCLVSYASLVATNAARLRLIAGPEKRLLEMGLRRAQGPDGGL
TASTYSYLGGFDSSSNVLAGQLRGVPVASNNIDEEALARLAQEGSEVNVIGIGTSVVTCP
QQPSLGGVYKLVAVGGQPRMKLTEDPEKQTLPGSKAAFRLLGSDGSPLMDMLQLAEEPVP
QAGQELRVWPPGAQEPCTVRPAQVEPLLRLCLQQGQLCEPLPSLAESRALAQLSLSRLSP
EHRRLRSPAQYQVVLSERLQALVNSLCAGQSP

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAAEQDPEARAAARPLLTDLYQATMALGYWRAGRARDAAEFELFFRRCPFGGAFALAAGLRDCVRFLRAFRLRDADVQFLASVLPPDTDPAFFEHLRALDCSEVTVRALPEGSLAFPGVPLLQVSGPLLVVQLLETPLLCLVSYASLVATNAARLRLIAGPEKRLLEMGLRRAQGPDGGLTASTYSYLGGFDSSSNVLAGQLRGVPVASNNIDEEALARLAQEGSEVNVIGIGTSVVTCPQQPSLGGVYKLVAVGGQPRMKLTEDPEKQTLPGSKAAFRLLGSDGSPLMDMLQLAEEPVPQAGQELRVWPPGAQEPCTVRPAQVEPLLRLCLQQGQLCEPLPSLAESRALAQLSLSRLSPEHRRLRSPAQYQVVLSERLQALVNSLCAGQSP
Prediction	CCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCSSSSSSSSCCCCCCCCSSSSHCHHHHHHHHHHCCCCHHHHHHHHHHCCCCCCHHHHHHHHHCCCCCCSSSSSCCCSSSCCCCSSSSSSSCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCSSSSCCCCCCCCHHHHHHHHHHHHCCCCCCSHHHHHHHHHCCCCCCCCCHHHHHHHHHHHCCHHHHCCCCCSSSSSCCCCHHHHHHHHHHHCCCCSSSSCCCCCSSSCCCCCSSSSSSCCCCCCCSSSSSSCCCCCCCCCCSSSSCCCCCSSSSSSCCCSSSSCHHHHHHCCSSCCCCCCHHHHHHHHHHHHHHCCHHHHHCCCCCCCSSCHCHHHHHHHHHHHHHHCC
Confidence	99889998886552034268999999999982998844999999826998981254303999999998379999999999984899899899999984799985899954972714995189999737999999999999987999999999999998359993987278766547899999998522697301199999992999777770278875014415524431689879996076157789999995496447651786365158871699942589981112898479888877744873589850467752872664011442199872799899999999999998699888734499465111278999999999997289
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAAEQDPEARAAARPLLTDLYQATMALGYWRAGRARDAAEFELFFRRCPFGGAFALAAGLRDCVRFLRAFRLRDADVQFLASVLPPDTDPAFFEHLRALDCSEVTVRALPEGSLAFPGVPLLQVSGPLLVVQLLETPLLCLVSYASLVATNAARLRLIAGPEKRLLEMGLRRAQGPDGGLTASTYSYLGGFDSSSNVLAGQLRGVPVASNNIDEEALARLAQEGSEVNVIGIGTSVVTCPQQPSLGGVYKLVAVGGQPRMKLTEDPEKQTLPGSKAAFRLLGSDGSPLMDMLQLAEEPVPQAGQELRVWPPGAQEPCTVRPAQVEPLLRLCLQQGQLCEPLPSLAESRALAQLSLSRLSPEHRRLRSPAQYQVVLSERLQALVNSLCAGQSP
Prediction	66564526454212001023000000000035434432000100002125521000000022004003615046600410371224414420031024050471303004103102272000103011100000000000000110000100010032047712000000000002200110021222110000000100331424121220001002222433142111205100000211200400220042462231212632331212113200000245420202002246251664553122214344242304514034002200540430462620630151035117502640220332451204006402500440166228
	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                 200                 220                 240                 260                 280                 300                 320                 340                 360                 380

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

SS
Seq

CCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCSSSSSSSSCCCCCCCCSSSSHCHHHHHHHHHHCCCCHHHHHHHHHHCCCCCCHHHHHHHHHCCCCCCSSSSSCCCSSSCCCCSSSSSSSCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCSSSSCCCCCCCCHHHHHHHHHHHHCCCCCCSHHHHHHHHHCCCCCCCCCHHHHHHHHHHHCCHHHHCCCCCSSSSSCCCCHHHHHHHHHHHCCCCSSSSCCCCCSSSCCCCCSSSSSSCCCCCCCSSSSSSCCCCCCCCCCSSSSCCCCCSSSSSSCCCSSSSCHHHHHHCCSSCCCCCCHHHHHHHHHHHHHHCCHHHHHCCCCCCCSSCHCHHHHHHHHHHHHHHCC
MAAEQDPEARAAARPLLTDLYQATMALGYWRAGRARDAAEFELFFRRCPFGGAFALAAGLRDCVRFLRAFRLRDADVQFLASVLPPDTDPAFFEHLRALDCSEVTVRALPEGSLAFPGVPLLQVSGPLLVVQLLETPLLCLVSYASLVATNAARLRLIAGPEKRLLEMGLRRAQGPDGGLTASTYSYLGGFDSSSNVLAGQLRGVPVASNNIDEEALARLAQEGSEVNVIGIGTSVVTCPQQPSLGGVYKLVAVGGQPRMKLTEDPEKQTLPGSKAAFRLLGSDGSPLMDMLQLAEEPVPQAGQELRVWPPGAQEPCTVRPAQVEPLLRLCLQQGQLCEPLPSLAESRALAQLSLSRLSPEHRRLRSPAQYQVVLSERLQALVNSLCAGQSP

2f7fA

0.33

0.32

9.58

1.50

DEthreader

-------YADDS-LTLHTDMYQINMMQTYWELGRADLHAVFECYFREMPFNHGYAIFAGLERLVNYLENLTFTESDIAYLREVE-E-YPEDFLTYLANFEF-KCTVRSALEGDLVFNNEPLIQIEGPLAQCQLVETALLNMVNFQTLIATKAARIKSVIGDDPLLEFGTRRAQE-LDAAIWGTRAAYIGGADATSNVRAGKIFGPVSGSNDLDENTILNLKMQKSKIDVWGVGTKLITAYDQPALGAVFKLVSIEMKDTIKLSSNAEKVTTPGKKQVWRITRSDKKSEGDYVTLWNEDPRQEEEIYMFHPVHTFINKYVRDFEARPVLQDIFVEGKRVYELPTLDEIKQYAKENLDSLHEEYKRDLNPQKYPVDLSTDCWNHKMNLLEKVRV

2f7fA2

0.35

0.32

9.53

3.96

SPARKS-K

-------TYADDSLTLHTDMYQINMMQTYWELGRADLHAVFECYFREMPFNHGYAIFAGLERLVNYLENLTFTESDIAYLREV--EEYPEDFLTYLANFEF-KCTVRSALEGDLVFNNEPLIQIEGPLAQCQLVETALLNMVNFQTLIATKAARIKSVIG-DDPLLEFGTRRAQELDAAIWGTRAAYIGGADATSNVRAGKIFGIPVS---------------------WGVGTKLITAYDQPALGAVFKLVSIEGKDTIKLSSNAEKVTTPGKKQVWRITRKDKKSEGDYVTLWNEDPRQEEEIYMFHPVHTFINKYVRDFEARPVLQDIFVEGKRVYELPTLDEIKQYAKENLDSLHEEYKRDLNPQKYPVDLSTDCWNHKMNLLEKVRK

2f7fA

0.35

0.33

9.98

2.11

MapAlign

-----------DSLTLHTDMYQINMMQTYWELGRADLHAVFECYFREMPFNHGYAIFAGLERLVNYLENLTFTESDIAYLREVE--EYPEDFLTYLANFEF-KCTVRSALEGDLVFNNEPLIQIEGPLAQCQLVETALLNMVNFQTLIATKAARIKSVI-GDDPLLEFGTRRAQELDAAIWGTRAAYIGGADATSNVRAGKIFGIPVSSNDLDENTILNLKMQKSKIDVWGVGTKLITAYDQPALGAVFKLVSIEMKDTIKLSSNAEKVTTPGKKQVWRITRKDKKSEGDYVTLWNE-DPRQEEEIYMFHPVHTINKYVRDFEARPVLQDIFVEGKRVYELPTLDEIKQYAKENLDSLHEEYKRDLNPQKYPVDLSTDCWNHKMNLLEKV--

2f7fA

0.35

0.34

10.06

1.39

CEthreader

-------TYADDSLTLHTDMYQINMMQTYWELGRADLHAVFECYFREMPFNHGYAIFAGLERLVNYLENLTFTESDIAYLREVE--EYPEDFLTYLANFEF-KCTVRSALEGDLVFNNEPLIQIEGPLAQCQLVETALLNMVNFQTLIATKAARIKSVIG-DDPLLEFGTRRAQELDAAIWGTRAAYIGGADATSNVRAGKIFGIPVSSNDLDENTILNLKMQKSKIDVWGVGTKLITAYDQPALGAVFKLVSIEGKDTIKLSSNAEKVTTPGKKQVWRITRKDKKSEGDYVTLWNEDPRQEEEIYMFHPVHTFINKYVRDFEARPVLQDIFVEGKRVYELPTLDEIKQYAKENLDSLHEEYKRDLNPQKYPVDLSTDCWNHKMNLLEKVRK

2f7fA2

0.35

0.32

9.53

2.64

MUSTER

-------TYADDSLTLHTDMYQINMMQTYWELGRADLHAVFECYFREMPFNHGYAIFAGLERLVNYLENLTFTESDIAYLREVEE--YPEDFLTYLANFEFK-CTVRSALEGDLVFNNEPLIQIEGPLAQCQLVETALLNMVNFQTLIATKAARIKSVIG-DDPLLEFGTRRAQELDAAIWGTRAAYIGGADATSNVRAGKIFGIPVS---------------------WGVGTKLITAYDQPALGAVFKLVSIEGKDTIKLSSNAEKVTTPGKKQVWRITRKDKKSEGDYVTLWNEDPRQEEEIYMFHPVHTFINKYVRDFEARPVLQDIFVEGKRVYELPTLDEIKQYAKENLDSLHEEYKRDLNPQKYPVDLSTDCWNHKMNLLEKVRK

2f7fA2

0.35

0.32

9.59

4.15

HHsearch

-------TYADDSLTLHTDMYQINMMQTYWELGRADLHAVFECYFREMPFNHGYAIFAGLERLVNYLENLTFTESDIAYLREVE--EYPEDFLTYLANFEFK-CTVRSALEGDLVFNNEPLIQIEGPLAQCQLVETALLNMVNFQTLIATKAARIKSVIG-DDPLLEFGTRRAQELDAAIWGTRAAYIGGADATSNVRAGKIFGIPV---------------------SWGVGTKLITAYDQPALGAVFKLVSIEGKDTIKLSSNAEKVTTPGKKQVWRITRKDKKSEGDYVTLWNEDPRQ-EEEYMFHPVHTFINKYVRDFEARPVLQDIFVEGKRVYELPTLDEIKQYAKENLDSLHEEYKRDLNPQKYPVDLSTDCWNHKMNLLEKVRK

2f7fA2

0.34

0.31

9.31

3.30

FFAS-3D

---ADD------SLTLHTDMYQINMMQTYWELGRADLHAVFECYFREMPFNHGYAIFAGLERLVNYLENLTFTESDIAYLRE--VEEYPEDFLTYLANFEF-KCTVRSALEGDLVFNNEPLIQIEGPLAQCQLVETALLNMVNFQTLIATKAARIKSVI-GDDPLLEFGTRRAQELDAAIWGTRAAYIGGADATSNVRAGKIFGIPVSWGVGTK---------------------LITAYDQPALGAVFKLVSIEGKDTIKLSSNAEKVTTPGKKQVWRITKSDKKSEGDYVTLWNEDPRQEEEIYMFHPVHTFINKYVRDFEARPVLQDIFVEGKRVYELPTLDEIKQYAKENLDSLHEEYKRDLNPQKYPVDLSTDCWNHKMNLLEK---

2f7fA

0.33

0.31

9.34

2.25

EigenThreader

DDSLTLH----------TDMYQINMMQTYWELGRADLHAVFECYFREMPFNHGYAIFAGLERLVNYLENLTFTESDIAYLREV--EEYPEDFLTYLAN-FEFKCTVRSALEGDLVFNNEPLIQIEGPLAQCQLVETALLNMVNFQTLIATKAARIKSVIGDDPLLEFG-TRRAQELDAAIWGTRAAYIGGADATSNVRAGKIFGIPVSGTHLDENTILNLKMQKSKIDVWGVGTKLITAYDQPALGAVFKLVSIGEDDTIKLSSNAEKVTTPGKKQVWRITRSDKKSEGDYVTLWNEDPRQEEEIYMFHPVHT----------FIPVLQDIFVEGKRVYELPTLDEIKQYAKENLDSLHEEYKRDLNPQKYPTDCWNHKMNLLEKVRKDVKH

2f7fA

0.35

0.34

10.13

3.44

CNFpred

-------TYADDSLTLHTDMYQINMMQTYWELGRADLHAVFECYFREMPFNHGYAIFAGLERLVNYLENLTFTESDIAYLREVE--EYPEDFLTYLANFEF-KCTVRSALEGDLVFNNEPLIQIEGPLAQCQLVETALLNMVNFQTLIATKAARIKSVIG-DDPLLEFGTRRAQELDAAIWGTRAAYIGGADATSNVRAGKIFGIPVASNDLDENTILNLKMQKSKIDVWGVGTKLITAYDQPALGAVFKLVSIEGKDTIKLSSNAEKVTTPGKKQVWRITRKDKKSEGDYVTLWNEDPRQEEEIYMFHPVHTFINKYVRDFEARPVLQDIFVEGKRVYELPTLDEIKQYAKENLDSLHEEYKRDLNPQKYPVDLSTDCWNHKMNLLEKVRK

2f7fA2

0.33

0.31

9.18

1.33

DEthreader

-------YADDS-LTLHTDMYQINMMQTYWELGRADLHAVFECYFREMPFNHGYAIFAGLERLVNYLENLTFTESDIAYLREVE-E-YPEDFLTYLANFEF-KCTVRSALEGDLVFNNEPLIQIEGPLAQCQLVETALLNMVNFQTLIATKAARIKSVIGDDPLLEFGTRRAQE-LDAAIWGTRAAYIGGADATSNVRAGKIFGIPVS---------------------WGVGTKLITAYDQPALGAVFKLVSIEMKDTIKLSSNAEKVTTPGKKQVWRITRSDKKSEGDYVTLWNEDPRQEEEIYMFHPVHTFINKYVRDFEARPVLQDIFVEGKRVYELPTLDEIKQYAKENLDSLHEEYKRDLNPQKYPVDLSTDCWNHKMNLLEKVRV

(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	0.95

(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	2f7fA	0.91	1.97	0.345	0.962	model1_2f7fA.pdb.gz
2	4yubA	0.87	1.36	0.957	0.898	model1_4yubA.pdb.gz
3	1ytdA	0.68	2.10	0.224	0.722	model1_1ytdA.pdb.gz
4	2i14A1	0.65	1.91	0.226	0.681	model1_2i14A1.pdb.gz
5	1vlpB	0.42	3.73	0.137	0.500	model1_1vlpB.pdb.gz
6	3os4A	0.42	3.71	0.139	0.497	model1_3os4A.pdb.gz
7	1yirA	0.40	3.79	0.172	0.480	model1_1yirA.pdb.gz
8	2b7pA1	0.40	2.50	0.151	0.436	model1_2b7pA1.pdb.gz
9	4be4A	0.31	7.36	0.032	0.543	model1_4be4A.pdb.gz
10	3ez2B1	0.25	6.83	0.040	0.426	model1_3ez2B1.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:0004516	1.00	nicotinate phosphoribosyltransferase activity
GO:0004514	0.60	nicotinate-nucleotide diphosphorylase (carboxylating) activity
GO:0016874	0.57	ligase activity
GO:0097159	0.53	organic cyclic compound binding
GO:0036094	0.53	small molecule binding
GO:1901265	0.52	nucleoside phosphate 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:0009987	0.97	cellular process
GO:0071704	0.96	organic substance metabolic process
GO:0044237	0.96	cellular metabolic process
GO:0006807	0.93	nitrogen compound metabolic process
GO:0006950	0.92	response to stress
GO:1901564	0.91	organonitrogen compound metabolic process
GO:0044763	0.91	single-organism cellular process
GO:0044281	0.91	small molecule metabolic process
GO:0044238	0.91	primary metabolic process
GO:0034641	0.91	cellular nitrogen compound metabolic process
GO:1901360	0.90	organic cyclic compound metabolic process
GO:0046483	0.90	heterocycle metabolic process
GO:1901576	0.86	organic substance biosynthetic process
GO:0006979	0.86	response to oxidative stress
GO:0006725	0.86	cellular aromatic compound metabolic process
GO:0072524	0.85	pyridine-containing compound metabolic process
GO:0044249	0.85	cellular biosynthetic process
GO:0019637	0.85	organophosphate metabolic process
GO:0006796	0.85	phosphate-containing compound metabolic process
GO:0006139	0.85	nucleobase-containing compound metabolic process
GO:1901566	0.84	organonitrogen compound biosynthetic process
GO:0009117	0.84	nucleotide metabolic process
GO:0044711	0.82	single-organism biosynthetic process
GO:0090407	0.81	organophosphate biosynthetic process
GO:0044271	0.81	cellular nitrogen compound biosynthetic process
GO:1901362	0.80	organic cyclic compound biosynthetic process
GO:0019438	0.80	aromatic compound biosynthetic process
GO:0018130	0.80	heterocycle biosynthetic process
GO:0006732	0.80	coenzyme metabolic process
GO:0019362	0.79	pyridine nucleotide metabolic process
GO:0009165	0.79	nucleotide biosynthetic process
GO:0051188	0.78	cofactor biosynthetic process
GO:0046496	0.78	nicotinamide nucleotide metabolic process
GO:0019363	0.77	pyridine nucleotide biosynthetic process
GO:0019674	0.76	NAD metabolic process
GO:0009435	0.75	NAD biosynthetic process
GO:0019365	0.60	pyridine nucleotide salvage
GO:0019358	0.53	nicotinate nucleotide salvage

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:0005737	1.00	cytoplasm
GO:0044444	0.91	cytoplasmic part
GO:0005829	0.75	cytosol
GO:0043226	0.65	organelle
GO:0043227	0.64	membrane-bounded organelle
GO:0043229	0.62	intracellular organelle
GO:0043231	0.60	intracellular membrane-bounded organelle
GO:0005634	0.56	nucleus

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	0.480	1ytdA	0.678	2.10	0.224	0.722	2.4.2.11	136
2	0.193	2f7fA	0.912	1.97	0.345	0.962	2.4.2.11	136
3	0.060	2im5A	0.411	3.62	0.157	0.487	2.4.2.11	61,143,235
4	0.060	2pffA	0.356	6.98	0.056	0.607	2.3.1.41 2.3.1.86	NA
5	0.060	1h0hA	0.361	6.80	0.050	0.587	1.2.1.2	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	0.02	1qpo0	0.444	2.95	0.179	0.500	0.50	III	complex1.pdb.gz	24,25,28,135,136,140,141,144,168,169,170,176,180
	2	0.01	1gq2L	0.368	6.37	0.074	0.582	0.43	NA	complex2.pdb.gz	146,147,148,150,151

	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, 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.