D-I-TASSER Q8IZ08-D1

D-I-TASSER results for Q8IZ08-D1

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

Input Sequence in FASTA format

>Q8IZ08 (390 residues)
MEEPQPPRPPASMALLGSQHSGAPSAAGPPGGTSSAATAAVLSFSTVATAALGNLSDASG
GGTAAAPGGGGLGGSGAAREAGAAVRRPLGPEAAPLLSHGAAVAAQALVLLLIFLLSSLG
NCAVMGVIVKHRQLRTVTNAFILSLSLSDLLTALLCLPAAFLDLFTPPGGSAPAAAAGPW
RGFCAASRFFSSCFGIVSTLSVALISLDRYCAIVRPPREKIGRRRALQLLAGAWLTALGF
SLPWELLGAPRELAAAQSFHGCLYRTSPDPAQLGAAFSVGLVVACYLLPFLLMCFCHYHI
CKTVRLSDVRVRPVNTYARVLRFFSEVRTATTVLIMIVFVICCWGPYCFLVLLAAARQAQ
TMQAPSLLSVVAVWLTWANGAINPVIYAIR

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MEEPQPPRPPASMALLGSQHSGAPSAAGPPGGTSSAATAAVLSFSTVATAALGNLSDASGGGTAAAPGGGGLGGSGAAREAGAAVRRPLGPEAAPLLSHGAAVAAQALVLLLIFLLSSLGNCAVMGVIVKHRQLRTVTNAFILSLSLSDLLTALLCLPAAFLDLFTPPGGSAPAAAAGPWRGFCAASRFFSSCFGIVSTLSVALISLDRYCAIVRPPREKIGRRRALQLLAGAWLTALGFSLPWELLGAPRELAAAQSFHGCLYRTSPDPAQLGAAFSVGLVVACYLLPFLLMCFCHYHICKTVRLSDVRVRPVNTYARVLRFFSEVRTATTVLIMIVFVICCWGPYCFLVLLAAARQAQTMQAPSLLSVVAVWLTWANGAINPVIYAIR
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHSSSCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCSHHHHHHHHHHHHHHHHHHHHHHHCHHHSSCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHSSSSSSCCCCCSSSSSSCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHSSSC
Confidence	999999987654446799999999777898887777766654431013555677776778887779999988888776777887778888877766676299999999999999999999887412124258999479999999999999999996389999999558766753324665442212999999999999999999999705103338866676112222206999999999988887413588448995369985389981344157867788999999999999999999999998505677531267788999998999999999999999986999999999967764344329999999999999987621421219
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MEEPQPPRPPASMALLGSQHSGAPSAAGPPGGTSSAATAAVLSFSTVATAALGNLSDASGGGTAAAPGGGGLGGSGAAREAGAAVRRPLGPEAAPLLSHGAAVAAQALVLLLIFLLSSLGNCAVMGVIVKHRQLRTVTNAFILSLSLSDLLTALLCLPAAFLDLFTPPGGSAPAAAAGPWRGFCAASRFFSSCFGIVSTLSVALISLDRYCAIVRPPREKIGRRRALQLLAGAWLTALGFSLPWELLGAPRELAAAQSFHGCLYRTSPDPAQLGAAFSVGLVVACYLLPFLLMCFCHYHICKTVRLSDVRVRPVNTYARVLRFFSEVRTATTVLIMIVFVICCWGPYCFLVLLAAARQAQTMQAPSLLSVVAVWLTWANGAINPVIYAIR
Prediction	875553464245234343353633543332633333443331323223333233234334433321233331322222233333143324343222222200100001201200211231331100000003302010203402200010000200110000000032000011133233300110100000000000000000100410101021023321331000000001210000021000000123145443100000101244332220000000223232122111212222002013233535545444444434331000000000000100021212000000001423423011001020133000000021406106
	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                 320                 340                 360                 380

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

SS
Seq

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHSSSCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCSHHHHHHHHHHHHHHHHHHHHHHHCHHHSSCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHSSSSSSCCCCCSSSSSSCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHSSSC
MEEPQPPRPPASMALLGSQHSGAPSAAGPPGGTSSAATAAVLSFSTVATAALGNLSDASGGGTAAAPGGGGLGGSGAAREAGAAVRRPLGPEAAPLLSHGAAVAAQALVLLLIFLLSSLGNCAVMGVIVKHRQLRTVTNAFILSLSLSDLLTALLCLPAAFLDLFTPPGGSAPAAAAGPWRGFCAASRFFSSCFGIVSTLSVALISLDRYCAIVRPPREKIGRRRALQLLAGAWLTALGFSLPWELLGAPRELAAAQSFHGCLYRTSPDPAQLGAAFSVGLVVACYLLPFLLMCFCHYHICKTVRLSDVRVRPVNTYARVLRFFSEVRTATTVLIMIVFVICCWGPYCFLVLLAAARQAQTMQAPSLLSVVAVWLTWANGAINPVIYAIR

4n6hA

0.19

0.17

5.36

1.17

DEthreader

---DLEDNWETLNDNLKV-I--ADNA---------AQVKDALTKMR----ILVGQIDD----ALKLA-NE--GKVKEAQAAAE-LKR-----PGARSASLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATST-LPFQSAKYLMET------WP--FGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVHPVKALDRTPAKAKLINICIWVLASGVGVPIMV-MAVTRPR-DG-AVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVR-LLSG-----SKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLV---DIDRVVAALHLCIALGYANSSLNPVLYAFL

6i9kA

0.20

0.15

4.94

1.97

SPARKS-K

-----------------------------------------------------------------------NISIVDLLPEDMLPMIHEHWYKFPPMET-SMHYILGMLIIVIGIISVSGNGVVMYLMMTVKNLRTPGNFLVLNLALSDFGMLFFMMPTMSINCFAETWV--------IGPFMCELYGMIGSLFGSASIWSLVMITLDRYNVIVKGMAGKLTKVGALLRMLFVWIWSLGWTIAPMYGWSRY--VPEGSMTSCTIDYIDTAINPMSYLIAYAIFVY-FVPLFIIIYCYAFIVMQVAAHEKSLREQAKNEDNKKASAEFRLAKVAFMTICCWFMAWTPYLTLSFLGIFSDRT--WLTPMTSVWGAIFAKASACYNPIVYGIS

6iiuA

0.14

4.62

0.34

MapAlign

-------KDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLPCFRPTNITLEERRLIA-SPWFAASFCVVGLASNLLALSVLA--GATRSSFLTFLCGLVLTDFLGLLVTGTIVVSQHAALF----EWHAVDPGCRLCRFMGVVMIFFGLSPLLLGAAMASERYLGITRPFSRPASQRRAWATVGLVWAAALALGLLPLGVGRYTVQ---YPGSWCFLT---LGASGDVAFGLLFSM-LGGLSVGLSFLLNTVSVATLCHVYKKYTCTVCGYIFEEVDSEVEMMAQALGIMVVASVCWLPLLVFIAQTVLAMSPAGQLTEKELLIYLRVATWNQILDPWVYILF

3dqbA

0.18

0.14

4.66

0.36

CEthreader

------------------------------------------------------------------MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHG--------YFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFFGENHAIMGVAFTWVMALACAAPPLVGWSRYIPE--GMQCSCGIDYYTPHEETNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQES-----ATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQG--SDFGPIFMTIPAFFAKTSAVYNPVIYIMM

4n6hA

0.18

0.17

5.59

1.55

MUSTER

EKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLGSPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMET---------WPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDG---AVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGS------KEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVIDRRDPLVVAALHLCIALGYANSSLNPVLYAFL

6kp6A

0.22

0.16

4.93

1.37

HHsearch

---------------------------------------------------------------------------------------------------TVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYTIK--GYWP------LGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPATTKMAALMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFAQFLSN-----PAVTFGTAIAAFYLPVVIMTVLYIHIYLASRSRVHGIDCSPKCKKSQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQS---CIPDTVWSIGYWLCYVNSTIRPACYALC

4n6hA

0.20

0.18

5.92

2.85

FFAS-3D

LEDNKDALTKMRAAALDAQ------KATPPKEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLGSPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYL---------METWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAV---VCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGS------KEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIRRDPLVVAALHLCIALGYANSSLNPVLYAFK

4n6hA

0.17

0.15

5.07

1.03

EigenThreader

DNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLGSP---GARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFG---------ELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKDFRTPAKAKLINICIWVLASGVGVPIMVMAG---------AVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSV-RLLSGS-----KEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLV----DIDRRAALHLCIALGYANSSLNPVLYAFL

6i9kA

0.22

0.16

5.00

1.69

CNFpred

----------------------------------------------------------------------------------------------------SMHYILGMLIIVIGIISVSGNGVVMYLMMTVKNLRTPGNFLVLNLALSDFGMLFFMMPTMSINCFAE--TWVIGP------FMCELYGMIGSLFGSASIWSLVMITLDRYNVIVKGMAGKLTKVGALLRMLFVWIWSLGWTIAPMYGWSRYVPE--GSMTSCTIDYI-DTAINPMSYLIAYAIFVYFVPLFIIIYCYAFIVMQVAAHEKSLREQAKKM-NKKASAEFRLAKVAFMTICCWFMAWTPYLTLSFLGIFSDRT--WLTPMTSVWGAIFAKASACYNPIVYGIS

4ea3B

0.21

0.17

5.46

1.17

DEthreader

----LEDN-WETLNDNLK--V--IEKADN------A---M---A-RHGFDILVGQIDD---A--LAN-GKV-KEAQAAAEQLKTTRNAYIQ--KYL--PLGLKVTIVGLYLAVCVGGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLT-LPFQGTDILLGF-----WPF--G-NALCKTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPRALDVTSSKAQAVNVAIWALASVVGVPVAI-MGS-A-----EIECL-VEIPTPQDYWGPVFAICIFLFSFIVPVLVISVCYSLMIRR--L------------E--KDRNLRRITRLVLVVVAVFVGCWTPVQVFVLAQGL-G--VQPSAVAILRFCTALGYVNSCLNPILYAFL

(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	0.8061

(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	4n6hA	0.84	2.75	0.169	0.923	model1_4n6hA.pdb.gz
2	4ea3B	0.75	3.55	0.194	0.869	model1_4ea3B.pdb.gz
3	6i9kA	0.69	2.67	0.212	0.744	model1_6i9kA.pdb.gz
4	6rz4A	0.68	2.72	0.141	0.744	model1_6rz4A.pdb.gz
5	2ziyA	0.67	2.69	0.194	0.733	model1_2ziyA.pdb.gz
6	7btsA	0.67	3.66	0.223	0.782	model1_7btsA.pdb.gz
7	7ddzA	0.67	2.32	0.225	0.718	model1_7ddzA.pdb.gz
8	5nddA	0.67	2.96	0.111	0.754	model1_5nddA.pdb.gz
9	4rnbA	0.67	1.98	0.210	0.708	model1_4rnbA.pdb.gz
10	5zbhA	0.67	2.70	0.227	0.733	model1_5zbhA.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:0004888	0.99	transmembrane signaling receptor activity
GO:0004930	0.90	G-protein coupled receptor 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:0065007	0.99	biological regulation
GO:0050794	0.98	regulation of cellular process
GO:0007165	0.97	signal transduction
GO:0007186	0.93	G-protein coupled receptor signaling pathway
GO:0009987	0.70	cellular process
GO:0044699	0.68	single-organism process
GO:0044763	0.66	single-organism cellular process
GO:0050896	0.64	response to stimulus
GO:0032501	0.64	multicellular organismal process
GO:0003008	0.62	system process
GO:0065008	0.61	regulation of biological quality
GO:0048518	0.61	positive regulation of biological process
GO:0051239	0.60	regulation of multicellular organismal process
GO:0048522	0.60	positive regulation of cellular process
GO:0050877	0.59	neurological system process
GO:0044057	0.59	regulation of system process
GO:0032879	0.59	regulation of localization
GO:0051049	0.58	regulation of transport
GO:0051606	0.57	detection of stimulus
GO:0051930	0.56	regulation of sensory perception of pain
GO:0051281	0.56	positive regulation of release of sequestered calcium ion into cytosol
GO:0080090	0.54	regulation of primary metabolic process
GO:0050906	0.54	detection of stimulus involved in sensory perception
GO:0048519	0.54	negative regulation of biological process
GO:0031323	0.54	regulation of cellular metabolic process
GO:0019220	0.53	regulation of phosphate metabolic process
GO:0007218	0.53	neuropeptide signaling pathway
GO:0065009	0.52	regulation of molecular function
GO:0048523	0.52	negative regulation of cellular process
GO:0031326	0.52	regulation of cellular biosynthetic process
GO:0008152	0.52	metabolic process
GO:0007166	0.52	cell surface receptor signaling pathway
GO:0071704	0.51	organic substance metabolic process
GO:0044707	0.51	single-multicellular organism process
GO:0044237	0.51	cellular metabolic process
GO:0031325	0.51	positive regulation of cellular metabolic process
GO:0023051	0.51	regulation of signaling
GO:0010646	0.51	regulation of cell communication
GO:0009628	0.51	response to abiotic stimulus
GO:0009605	0.51	response to external stimulus
GO:1902578	0.50	single-organism localization
GO:0045937	0.50	positive regulation of phosphate metabolic process
GO:0042592	0.50	homeostatic process
GO:0031328	0.50	positive regulation of cellular biosynthetic process
GO:0009966	0.50	regulation of signal transduction
GO:0009582	0.50	detection of abiotic stimulus
GO:0009581	0.50	detection of external stimulus
GO:0007610	0.50	behavior
GO:0006810	0.50	transport

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:0016021	1.00	integral component of membrane
GO:0016020	1.00	membrane
GO:0044464	0.98	cell part
GO:0005886	0.86	plasma membrane
GO:0044459	0.83	plasma membrane part
GO:0005887	0.82	integral component of plasma 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	2uv8G	0.398	6.75	0.021	0.646	2.3.1.86	NA
2	0.060	2pffA	0.425	6.97	0.036	0.721	2.3.1.41 2.3.1.86	NA
3	0.060	2pffD	0.417	7.04	0.044	0.715	2.3.1.86	NA
4	0.060	2ohyB	0.391	6.05	0.059	0.603	5.4.3.6	NA
5	0.060	2pfmA	0.387	6.15	0.056	0.585	4.3.2.2	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	0.10	1f88B	0.612	3.24	0.180	0.685	0.43	UUU	complex1.pdb.gz	118,121,125
	2	0.01	2q9eB	0.175	4.87	0.036	0.233	0.43	MTN	complex2.pdb.gz	119,123,127

	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.