D-I-TASSER Q9ULJ7-D1

D-I-TASSER results for Q9ULJ7-D1

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

Input Sequence in FASTA format

>Q9ULJ7 (406 residues)
MTNPWEEKVCKMAQTSLLQGKQFYCREWVFHKLQHCLQEKSNCCNSAVNAPSLVMNSGNN
ASGVSGKGAAWGVLLVGGPGSGKTALCTELLWPSSPASLQRGLHRQALAFHFCKAQDSDT
LCVGGFIRGLVAQICRSGLLQGYEDKLRDPAVQSLLQPGECERNPAEAFKRCVLLPLLGM
KPPQQSLYLLVDSVDEGCNITEGEQTSTSLSGTVAALLAGHHEFFPPWLLLLCSARKQSK
AVTKMFTGFRKISLDDLRKAYIVKDVQQYILHRLDQEEALRQHLTKETAEMLNQLHIKSS
GCFLYLERVLDGVVENFIMLREIRDIPGTLNGLYLWLCQRLFVRKQFAKVQPILNVILAA
CRPLTITELYHAVWTKNMSLTLEDFQRKLDILSKLLVDGLGNTKIL

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MTNPWEEKVCKMAQTSLLQGKQFYCREWVFHKLQHCLQEKSNCCNSAVNAPSLVMNSGNNASGVSGKGAAWGVLLVGGPGSGKTALCTELLWPSSPASLQRGLHRQALAFHFCKAQDSDTLCVGGFIRGLVAQICRSGLLQGYEDKLRDPAVQSLLQPGECERNPAEAFKRCVLLPLLGMKPPQQSLYLLVDSVDEGCNITEGEQTSTSLSGTVAALLAGHHEFFPPWLLLLCSARKQSKAVTKMFTGFRKISLDDLRKAYIVKDVQQYILHRLDQEEALRQHLTKETAEMLNQLHIKSSGCFLYLERVLDGVVENFIMLREIRDIPGTLNGLYLWLCQRLFVRKQFAKVQPILNVILAACRPLTITELYHAVWTKNMSLTLEDFQRKLDILSKLLVDGLGNTKIL
Prediction	CCCHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCSSSSCCCCCCHHHHHHHHHHHHHHHHHCCCCCCCSSSSSSSCCCCHHHCCHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHCCCCCSSSSSSSCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCSSSSSSCCCCHHHHHHHCCCCCSSSSSCCCHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHCCHHHHHHHHHCCCHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHCCCCCCCHHHHHHHHHHHCCCSSSSCCCSSSC
Confidence	9727899999987643312775100566899999997446664333346983033688883110256789708987699987999999999999986422688881899999439981127899999999999997663268999998889876413554337979999999999998613578719999956754566524678899999999999998666169967999955996588987515775156640665778999999999999864765324526799999999998500157899999999715459999997026599999999995367308999999999999954999999999999668999999999999998345259971998879
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MTNPWEEKVCKMAQTSLLQGKQFYCREWVFHKLQHCLQEKSNCCNSAVNAPSLVMNSGNNASGVSGKGAAWGVLLVGGPGSGKTALCTELLWPSSPASLQRGLHRQALAFHFCKAQDSDTLCVGGFIRGLVAQICRSGLLQGYEDKLRDPAVQSLLQPGECERNPAEAFKRCVLLPLLGMKPPQQSLYLLVDSVDEGCNITEGEQTSTSLSGTVAALLAGHHEFFPPWLLLLCSARKQSKAVTKMFTGFRKISLDDLRKAYIVKDVQQYILHRLDQEEALRQHLTKETAEMLNQLHIKSSGCFLYLERVLDGVVENFIMLREIRDIPGTLNGLYLWLCQRLFVRKQFAKVQPILNVILAACRPLTITELYHAVWTKNMSLTLEDFQRKLDILSKLLVDGLGNTKIL
Prediction	7455155402532443335643120020004204520554451253316353022113434333444244403133130101110000100320363334543431000000013636423303100000010003223135124302432133124453224202200130003102424434210000000000023344334214400520240044137413410000000121231024204413302033134640252022003320441451352255223301410162033000000000210364241251056115403500430052035760240033010000002102316122200413547241640362054003000413652320
	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                 400

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

SS
Seq

CCCHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCSSSSCCCCCCHHHHHHHHHHHHHHHHHCCCCCCCSSSSSSSCCCCHHHCCHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHCCCCCSSSSSSSCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCSSSSSSCCCCHHHHHHHCCCCCSSSSSCCCHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHCCHHHHHHHHHCCCHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHCCCCCCCHHHHHHHHHHHCCCSSSSCCCSSSC
MTNPWEEKVCKMAQTSLLQGKQFYCREWVFHKLQHCLQEKSNCCNSAVNAPSLVMNSGNNASGVSGKGAAWGVLLVGGPGSGKTALCTELLWPSSPASLQRGLHRQALAFHFCKAQDSDTLCVGGFIRGLVAQICRSGLLQGYEDKLRDPAVQSLLQPGECERNPAEAFKRCVLLPLLGMKPPQQSLYLLVDSVDEGCNITEGEQTSTSLSGTVAALLAGHHEFFPPWLLLLCSARKQSKAVTKMFTGFRKISLDDLRKAYIVKDVQQYILHRLDQEEALRQHLTKETAEMLNQLHIKSSGCFLYLERVLDGVVENFIMLREIRDIPGTLNGLYLWLCQRLFVRKQFAKVQPILNVILAACRPLTITELYHAVWTKNMSLTLEDFQRKLDILSKLLVDGLGNTKIL

1z6tB

0.12

0.09

3.30

1.00

DEthreader

HLLHDGISSTSYRTLCQRPVVFVTR-KKLVNAIQQKLSKLK--G------------------------EPGWVTIHGMAGCGKSVLAAEAVR-DH-SLLE-GCFPGGVHWVSVGKQDKS-GL-LMKLQNLCTRLDQD---------ES----FS--Q-RLP-LNIEEAKD-RLRILML-RKH--PRSLLILDDVW--D---------SWVLKAF--DS------Q---CQILLTT-RDKS-VTDSVMGPKYVVP-VESS-LGKEKGLEILSLFV-NMK-KA--D---LPEQAHSIIKECKGSPLVVSLIGALLRDFPNRWEYYLKLQKDYEALDEAMSISVEML-REDIKDYYTDLSILQKVKVPTKVLCILWD-----METEEVEDILQEFVKSLLFCDSFRYYL

2qenA

0.14

0.11

3.73

1.04

SPARKS-K

--MLFDLRPKTRR-------EDIFDREEESRKLEESLENY------------------------------PLTLLLGIRRVGKSSLLRAFLNERP------------GILIDCRYAERGHITREELIKELQSTI---SPFQKFQSKFKISLNLKFLTL-EPRKLSLREVFRELNDLGEELGE----FIVAFDEAQYLRFYGSRG--GKELLALFAYAYDSL-----PNLKIILTGSE-VGLLHDFLKIAGEVLVKPFDK----DTSVEFLKRGFRE------VNLDVPENEIEEAVELLDGIPGWLVVFGVEYLRNGDFGRAMKRTLEVAKGLIMGELEELRRRS--PRYVDILRAIAL--GYNRWSLIRDYLAVKGTKIPEPRLYALLENLKKMWIVEEDNTYKI

2v1uA

0.11

0.09

3.09

0.89

MapAlign

--------------LPDYVPDVLPHREAELRRLAEVLAPA------------------------LRGEKPSNALLYGLTGTGKTAVARLVLRRL-EARASSLGVLVKPIYVNAR----HRETPYRVASAIAEAV--------------------GVRVPFTGLSVGEVYE-RLVKRL---SRLRGIYIIVLDEIDFLPKR-------PGGQDLLYRITR----INQELVSLVGITNSGFVENLEVL-GEVELVFP-----PYAPQLRDILETRAEEA-----FNPGVLDDVVPLCAALAAGDARRALDLLRVAGEIAVRREHVYSA------RAEIERDRVSEVVRPLHAKLVLLSIMMLERPASTGEIYERYKLGLEHVTLRRVSGIISELDGIVKSRKTREVSL

7crcA2

0.12

0.09

3.13

0.64

CEthreader

-------------------FNGLVGMRAHMDMLEQLLRLVLDE--------------------------VRMIGIWGPPGIGKTTIARFLF-----NQVSDRFQLSAIMVNIKGCYPRPCFDEYSAQLQLQNQMLSQMIN---------------------HKDIMISHLGVAQERLRD-----KKVFLVLDEVDQ---------------LGQLDALAKETRWFGPGSRIIITTE--DLGVLKAHGINHVYKVGYPSNDEAFQIFCMNAFGQ--------KQPHEGFDEIAREVMALAGELPLGLKVLGSALRGKSKWERTLPRLKTSLDGKIGSIIQFSYDALC-DEDKYLFLYIACLFNKESTTKVEGLLGKF-----LDVRQGLHILAQKSLISIEDGNIYM

2qenA

0.13

0.10

3.59

0.86

MUSTER

---------MLFDLRPKTRREDIFDREEESRKLEESLE------------------------------NYPLTLLLGIRRVGKSSLLRAFLNER------------PGILIDCRYAERGHITREELIKELQSTIS---PFQKFQSKFKISLNLKFLTLEPRKLS-LREVFRELNDLGEE----LGEFIVAFDEAQYLRFYGSRGG------KELLALFAYAYDSLP-NLKIILTGSE-VGLLHDFLKIAGEVLVKPFD----KDTSVEFLKRGFREVN------LDVPENEIEEAVELLDGIPGWLVVFGVEYLRNGDFGRAMKRTLEVAKGLIMGELEELR--RRSPRYVDILRAIAL---YNRWSLIRDYLAVKGTKIPEPRLYALLENLKKNWIVEEDNTYKI

3iytA

0.14

0.10

3.55

1.83

HHsearch

YVRTVLCEG-----GVPQRPVVFVTRKKLVNAIQQKLSKLKG-E-------------------------PGWVTIHGMAGCGKSVLAAEAVRDHSLL--EG---CFPGGVHWVSVGKQDKSGLLMKLQNLCTRLDQDESF-----------------SQRLPLNIEEAKDRLRI-LMLR---KHPRSLLILDDVWDSW---------------VLK-------AFDSQCQILLTTRDKS-VTD-SVMGPKVVPESSLGKEKGLEILSLFVNMKKADLP-----------EQAHSIIKECKGSPLVVSLIGALLRDFPNYLKQLQNSSYDYEALDEAMSISVEMLR--EDIKDYYTDLLQKDVKVPTKVLCILWDM-----ETEEVEDILQEFKSLLFCDRNKFRYY

2qenA

0.15

0.12

4.07

1.37

FFAS-3D

MLRP------------KTRREDIFDREEESRKLEESLEN------------------------------YPLTLLLGIRRVGKSSLLRAFLNERPG----------ILIDCRELYAERGHITREELIKELQSTI---SPFQKFQSKFKISLNLKFLTLEPRKLSLREVFRELNDLGEEL-----GEFIVAFDEAQYLRFYGSRG------GKELLALFAYAYDSLP-NLKIILTGSEVGLLHDFLKITDYESPLYGRIAGEVKDTSVEFLKRGFRE------VNLDVPENEIEEAVELLDGIPGWLVVFGVEYLRNGDFGRAMKRTLEVAKGLIMGELEEL--RRRSPRYVDILRAI--ALGYNRWSLIRDYLAVKGTKIPEPRLYALLENLKKMWIVEEDNTYKI

5uj7C

0.09

0.07

2.76

0.75

EigenThreader

SQVQRILRERFCRQSPHSNLFGVQVQYKHLSELLKRTALHGE---------------------------SNSVLIIGPRGSGKTMLINHALKELMEI--EEVSENVLQVHLNGLLQ----INDKIALKEITRQL-------------NLE----NVVGDKVFGSFAENLSFLLE---------ACPVIFILDEFDLFAHHK-----NQTLLYNLFDISQSAQ----TPIAVIGLTCRLDILELLKSRFSHRQIHLMNSFGPQYVKIFKEQLSAEKWNENVQYLSEDRSVQEVLQKHFNISKNLRSLHMLLMLALNRFMTAVDLMEASQLCSMDSKANIVHGLSVLEICLIIAMKHLNDIYEEEPFNYNEFQKFVQRKAHSVYVMKAFEHLQQLELIKPMEYQLMKL

2qenA

0.14

0.11

3.63

1.29

CNFpred

---------------------DIFDREEESRKLEESLEN------------------------------YPLTLLLGIRRVGKSSLLRAFLNE------------RPGILIDCRELYRGHITREELIKELQSTIS---PFQKFQSKFKISLNLKFLTLEPRKLSLREVFRELNDLGE-----ELGEFIVAFDEAQYLRFYGSR--GGKELLALFAYAYDSL-----PNLKIILTGSEV-GLLHDFLK-AGEVLVKPF----DKDTSVEFLKRGFREVNL------DVPENEIEEAVELLDGIPGWLVVFGVEYLRNGDFGRAMKRTLEVAKGLIMGELEELR--RRSPRYVDILRAIALG--YNRWSLIRDYLAVKGTKIPEPRLYALLENLKKNWIVEEDNTYKI

6npyA

0.12

0.10

3.36

1.00

DEthreader

------YRAYVRSQCISLNKRYTRLRLIK-IKMELLF-DP----------------DD------EHSEPVHTVVFQGAAGIGKTILARKMMLDWASGTLYQDR-FDYLFYIHCR--E-VSLVTQR-SLGDLISCCPDP-NPPI--------------------------------H--KIVRKPSRILFLMDGFDELQGAFDEH-GPLDILLSSLIRKKLL---PE--ASLLITTRPVAEKLQHLLDHPRHVEI--LG--FSEAKRKEYFFKYFSD-EAQA--RA-AFSLIQENVLFTMCFIPLVCWIVCTGLKQMESGKSLAQTSK-TTTAVYVFFLSSLL-QPRGGLCAHLWGLCSLADKFEESDLRNHGLQK----A---DVSAFLRMNLF-QKEVDCKFYSF

(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	0.7133

(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	2qenA	0.72	2.54	0.134	0.791	model1_2qenA.pdb.gz
2	2fnaA	0.71	2.85	0.111	0.796	model1_2fnaA.pdb.gz
3	6j5tG	0.66	3.19	0.117	0.763	model1_6j5tG.pdb.gz
4	1w5tB	0.66	4.30	0.095	0.830	model1_1w5tB.pdb.gz
5	1vt4I	0.63	4.03	0.132	0.756	model1_1vt4I.pdb.gz
6	3iytA	0.62	3.80	0.144	0.744	model1_3iytA.pdb.gz
7	2v1uA1	0.52	2.99	0.096	0.589	model1_2v1uA1.pdb.gz
8	2qbyA1	0.51	2.91	0.106	0.581	model1_2qbyA1.pdb.gz
9	1z6tB3	0.36	3.15	0.183	0.406	model1_1z6tB3.pdb.gz
10	1qi6A	0.34	6.73	0.042	0.549	model1_1qi6A.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:0005198	0.66	structural molecule activity
GO:0050839	0.65	cell adhesion molecule binding
GO:0008307	0.65	structural constituent of muscle
GO:0097159	0.64	organic cyclic compound binding
GO:1901363	0.63	heterocyclic compound binding
GO:0036094	0.58	small molecule binding
GO:0032555	0.57	purine ribonucleotide binding
GO:0035639	0.56	purine ribonucleoside triphosphate binding
GO:0032559	0.56	adenyl ribonucleotide binding
GO:0032550	0.56	purine ribonucleoside binding
GO:0005524	0.55	ATP 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	0.85	single-organism process
GO:0009987	0.83	cellular process
GO:0044763	0.76	single-organism cellular process
GO:0032502	0.75	developmental process
GO:0044767	0.74	single-organism developmental process
GO:0016043	0.73	cellular component organization
GO:0048856	0.69	anatomical structure development
GO:0007520	0.65	myoblast fusion
GO:0044702	0.61	single organism reproductive process
GO:0006996	0.61	organelle organization
GO:0006928	0.61	movement of cell or subcellular component
GO:0061327	0.60	anterior Malpighian tubule development
GO:0045214	0.60	sarcomere organization
GO:0007298	0.60	border follicle cell migration

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	0.88	cytoplasmic part
GO:0005737	0.88	cytoplasm
GO:0044422	0.85	organelle part
GO:0043226	0.70	organelle
GO:0043229	0.69	intracellular organelle
GO:0043227	0.68	membrane-bounded organelle
GO:0043231	0.67	intracellular membrane-bounded organelle
GO:0032991	0.67	macromolecular complex
GO:0043234	0.65	protein complex
GO:0005634	0.64	nucleus
GO:0030054	0.59	cell junction
GO:0030018	0.58	Z disc
GO:0009986	0.58	cell surface
GO:0005912	0.58	adherens junction
GO:0044446	0.52	intracellular organelle part
GO:0005829	0.52	cytosol

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	0.066	2c9oC	0.477	4.67	0.107	0.613	3.6.1.-	NA
2	0.066	1ixsB	0.472	4.65	0.112	0.599	3.6.4.12	NA
3	0.060	2qllA	0.394	6.98	0.059	0.653	2.4.1.1	83
4	0.060	2vsfA	0.389	6.66	0.058	0.611	3.6.4.12	NA
5	0.060	1fsuA	0.387	6.37	0.040	0.591	3.1.6.12	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:

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	0.20	2qenA	0.721	2.54	0.134	0.791	0.80	ADP	complex1.pdb.gz	23,24,26,80,81,82,83,84,85,265,303,304
	2	0.04	3glgH	0.467	3.82	0.107	0.557	0.86	BEF	complex2.pdb.gz	79,80,83,193

	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.