I-TASSER results

I-TASSER results for job id Rv3737

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]

Input Sequence in FASTA format

>protein (529 residues)
MDQDRSDNTALRRGLRIALRGRRDPLPVAGRRSRTSGGIDDLHTRKVLDLTIRLAEVMLS
SGSGTADVVATAQDVAQAYQLTDCVVDITVTTIIVSALATTDTPPVTIMRSVRTRSTDYS
RLAELDRLVQRITSGGVAVDQAHEAMDELTERPHPYPRWLATAGAAGFALGVAMLLGGTW
LTCVLAAVTSGVIDRLGRLLNRIGTPLFFQRVFGAGIATLVAVAAYLIAGQDPTALVATG
IVVLLSGMTLVGSMQDAVTGYMLTALARLGDALFLTAGIVVGILISLRGVTNAGIQIELH
VDATTTLATPGMPLPILVAVSGAALSGVCLTIASYAPLRSVATAGLSAGLAELVLIGLGA
AGFGRVVATWTAAIGVGFLATLISIRRQAPALVTATAGIMPMLPGLAVFRAVFAFAVNDT
PDGGLTQLLEAAATALALGSGVVLGEFLASPLRYGAGRIGDLFRIEGPPGLRRAVGRVVR
LQPAKSQQPTGTGGQRWRSVALEPTTADDVDAGYRGDWPATCTSATEVR

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MDQDRSDNTALRRGLRIALRGRRDPLPVAGRRSRTSGGIDDLHTRKVLDLTIRLAEVMLSSGSGTADVVATAQDVAQAYQLTDCVVDITVTTIIVSALATTDTPPVTIMRSVRTRSTDYSRLAELDRLVQRITSGGVAVDQAHEAMDELTERPHPYPRWLATAGAAGFALGVAMLLGGTWLTCVLAAVTSGVIDRLGRLLNRIGTPLFFQRVFGAGIATLVAVAAYLIAGQDPTALVATGIVVLLSGMTLVGSMQDAVTGYMLTALARLGDALFLTAGIVVGILISLRGVTNAGIQIELHVDATTTLATPGMPLPILVAVSGAALSGVCLTIASYAPLRSVATAGLSAGLAELVLIGLGAAGFGRVVATWTAAIGVGFLATLISIRRQAPALVTATAGIMPMLPGLAVFRAVFAFAVNDTPDGGLTQLLEAAATALALGSGVVLGEFLASPLRYGAGRIGDLFRIEGPPGLRRAVGRVVRLQPAKSQQPTGTGGQRWRSVALEPTTADDVDAGYRGDWPATCTSATEVR
Prediction	CCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHCCCCEEEEEHCCEEEEEEHCCCCCCEEEEEEEHCCCCCCHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHCCHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	9865678865556666654567888887666556777888789999999999999999998998789999999999998999769999867799999768998769999998799888899999999999999899999999999999998899998699999999999999988889999999999999999999999998788599999999999999999999957887899999999998687999999999998987899999999999999999999999999987654444567887777888864789999999999999999999998999999999999999999999997886899999999999999999999988977888999888875558999999999986867899999999999999999999999999999865566545555546777644567887667777777777788887666778888777766788778888777777789
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MDQDRSDNTALRRGLRIALRGRRDPLPVAGRRSRTSGGIDDLHTRKVLDLTIRLAEVMLSSGSGTADVVATAQDVAQAYQLTDCVVDITVTTIIVSALATTDTPPVTIMRSVRTRSTDYSRLAELDRLVQRITSGGVAVDQAHEAMDELTERPHPYPRWLATAGAAGFALGVAMLLGGTWLTCVLAAVTSGVIDRLGRLLNRIGTPLFFQRVFGAGIATLVAVAAYLIAGQDPTALVATGIVVLLSGMTLVGSMQDAVTGYMLTALARLGDALFLTAGIVVGILISLRGVTNAGIQIELHVDATTTLATPGMPLPILVAVSGAALSGVCLTIASYAPLRSVATAGLSAGLAELVLIGLGAAGFGRVVATWTAAIGVGFLATLISIRRQAPALVTATAGIMPMLPGLAVFRAVFAFAVNDTPDGGLTQLLEAAATALALGSGVVLGEFLASPLRYGAGRIGDLFRIEGPPGLRRAVGRVVRLQPAKSQQPTGTGGQRWRSVALEPTTADDVDAGYRGDWPATCTSATEVR
Prediction	8556356444225223303453454344454555455404533143003000200200041301021003002200411404400000000000000223763321010130452311121012013002302667030630251055037334402200000000000000000010202000000200010010000024222110000000000000001100001213000000000000000000000010003310100000010000002012200000000012011102121210220322320000000010002001000000102110000000000000000000121321100000000000000001002212010000000022002111100100000023121120020001000003000201100010020023324224411435426422422541452543544435546444345344524445536546436333434534658
	Values range from 0 (buried residue) to 8 (highly exposed residue)

Predicted Normalized B-facotr

(B-factor is a value to indicate the extent of the inherent thermal mobility of residues/atoms in proteins. In I-TASSER, this value is deduced from threading template proteins from the PDB in combination with the sequence profiles derived from sequence databases. The reported B-factor profile in the figure below corresponds to the normalized B-factor of the target protein, defined by B=(B'-u)/s, where B' is the raw B-factor value, u and s are respectively the mean and standard deviation of the raw B-factors along the sequence. (Click here to read more about predicted normalized B-factor)

Top 10 threading templates used by I-TASSER

Rank

PDB
Hit

Iden1

Iden2

Cov

Norm.
Zscore

Download
Align.

                  20                  40                  60                  80                 100                 120                 140                 160                 180                 200                 220                 240                 260                 280                 300                 320                 340                 360                 380                 400                 420                 440                 460                 480                 500                 520

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

Sec.Str
Seq

CCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHCCCCEEEEEHCCEEEEEEHCCCCCCEEEEEEEHCCCCCCHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHCCHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MDQDRSDNTALRRGLRIALRGRRDPLPVAGRRSRTSGGIDDLHTRKVLDLTIRLAEVMLSSGSGTADVVATAQDVAQAYQLTDCVVDITVTTIIVSALATTDTPPVTIMRSVRTRSTDYSRLAELDRLVQRITSGGVAVDQAHEAMDELTERPHPYPRWLATAGAAGFALGVAMLLGGTWLTCVLAAVTSGVIDRLGRLLNRIGTPLFFQRVFGAGIATLVAVAAYLIAGQDPTALVATGIVVLLSGMTLVGSMQDAVTGYMLTALARLGDALFLTAGIVVGILISLRGVTNAGIQIELHVDATTTLATPGMPLPILVAVSGAALSGVCLTIASYAPLRSVATAGLSAGLAELVLIGLGAAGFGRVVATWTAAIGVGFLATLISIRRQAPALVTATAGIMPMLPGLAVFRAVFAFAVNDTPDGGLTQLLEAAATALALGSGVVLGEFLASPLRYGAGRIGDLFRIEGPPGLRRAVGRVVRLQPAKSQQPTGTGGQRWRSVALEPTTADDVDAGYRGDWPATCTSATEVR

3w3tA

0.10

0.09

0.97

1.05

MUSTER

FLSERADSIRHKLSDAIAECVQDD-LPAWPELLQALIESLKSGNPNFRESSFRILTTVPYL-ITAVDINSILPIFQSGFTDASDNVKIAAVTAFVGYFKQLPKSEWSKL---------GILLPSLLNSLPRFLDDG-KDDALASVFESLIELVELAPKLFKDMFDQIIQFTDMVIKNKDLEPPARTTALELLTVFSENAPQMCKNQNYGQTLVMVTLIMMTEVAEWIESDDDHARQALDRVALKLGGEYLAAPLFQYLQQMITSTEWRERFAAMMALSSAA--GCADVLIGEIPKILDMVIPLINDPHPRVQYGCCNVLGQISTDFSPFIQRTAHDRILPALISKLSRVQTHAAAALVNFSEFADILEPYLDSLLTNLLVLLQSNKLYVQEQALTTIAFIAEAAKNKFIKYYDTLMPLLLNVLKVNSVLKGKCMECATLIGFAVGKEKFHEHSQELISILVALQNSDDDALRSYLSRICRILGDDFVPLLPPPLLITAKATQDVGLIEEEEAANFQQYPDWDVVQVQGK

4wgvA

0.11

0.08

0.71

0.83

dPPAS

-----------------------------------VGYMDPGNWITSMQGGAQYGYTLLFVILISSLAAMLLQSMTVRLGI------------------ATGKDLAQMTRHFLSKP--VAIIFWIIAELAIIATDIAEVIGSAIALDLIFG----IPLIVGALITVFDVFLLLFIMRFGFRKIEAIVGTLIFTVLAIFVFEVFISSPQLTDILNGFVPH------KEIVTNQGILYIALGIIGATIMPHNLYLHSSIVHDNEEKAQAIKYATIDSNLQLSIAFVVNCLLLTLGAALFFGTKTNDLGGFYDLYHALKTEPVLGATLGGVMSTLFAVALLASGQNSTITGTLAGQIVMEGFLRLSIRRLITRSLAVIPVIICLIIFKGNSEKIEQLLVFSQVFLSIALPFSLIPLQLATSNKINKTWVNIISWTLIVILSGLNVY--------------------------------------------------------------------------------------

4n7wA

0.10

0.05

0.53

0.88

wdPPAS

------------------------------------------------------------------------------------------------------------------------------------------------MLVKITR------FPVWALLLSVAAYFRPTTF--TGIGPYVGPLLMLIMFAMGVTLRLDDFPVAAATFLHYLIMPLTAWILAMLFRMPPDLSAGMVLVGSVASGTASNVMIYLAKGD------VALSVTISAVSTLVGVFATPLLTRLYVDATISV-----------DVVGMLKSILQIVVIPITAGLVIHPAMSMVCILAIISAVVAGSQSHIASVGFVVIIAVILHNGIGLLSGYWGGKLFGFDESTCRTLAIEVGM--SGLAATLGKIYFS-----PLAALPGALFSVWHNLSGSLLAGYWSGK---PVKKDQE--------------------------------------------------------------------

3wajA1

0.12

0.10

0.78

1.05

wMUSTER

---------------------------------------------SVLVIAALISVKLRIL--------------PWNS--------VFTWTVRL-------------------GGNDWYYYRLIENTIHN---PHRIW------FDPFTYYPYHFG-----PFLVYLGSIAGIIFSATAVLAFIPAIGGVLAILPVYLLTREVFDKRAAVIAAFLIAIVPGQFLQRLGFNDHHIWEAFWQVSAL--GTFLLAYNRWKGHDLTAR--QMAYPVIAGITIGLYVLSGFIIAPIILAFMFFAFVLAGFVNADRKNLSLVAVVTFAVSALIYLPFAFNYPPFQLLVLLGSAVIAAAFYQIEKWNDVGFFERVKGMPLAVIVLTALIMGLF-GALFFFGMAGILYSA-FPEMALLIWAIAM---ALWGQNRFAYYFAAVSAVYSALALSVVFDKL-HFRVAFALLIALAAIYPTYILADAQSSYAGGPNKQ-RENTPDGEKYDEYYLQLYPTPQSNKEPFSYP---FETYGVI

3wajA1

0.11

0.09

0.78

1.15

wPPAS

--------------------------------------------------SVLVIAALISV---KLRILNPWNSVFT-------------WTVRLG-------------------GNDWYYYRLIENTIHN---HRIW-------FDPFTYYPYHFGVYLGSIAGIIFSATSGESL--RAVLAFIPAIGGVLAILPVYLLTREVFDKRAAVIAAFLIAIVPGQFLQRLGFNDHHIWEAFWQVSAL--GTFLLAYNRWKGHDLTAR--QMAYPVIAGITIGLYVLSGFIIAPIILAFMFFAFVLAGFVNADRKNLSLVAVVTFAVSALIYLPFAFNYPGPFQLLVLLGSAVIAAAFYQIEKWND-PLAVIVLTALIMGLFFVLTNAVLHGALFFFGMAGILYSA-FPEMALLIWAIAM---ALWGQNRFAYYFAAVSAVYSALALSVVFDKLHFRVAFALLIALAAIYP---------ILADAQSSYAGGPNK-TPDGEKYDEYYLQLYPTPQSNKEPFSYPFETYGGHR

4n7wA

0.12

0.06

0.54

1.30

dPPAS2

----------------------------------------------------------------------------------------------------------------------------------------------------MLVK-----ITRLFPVWALLLSVAAYFRPFTGIGPYVGPLLMLIMFAMGVTLRLDDFPVAAATFLHYLIMPLTAWILAMLFRMPPDLSAGMVLVGSVASGTASNVMIYLAKGD-------VALSVTISAVSTLVGVFATPLLTRLYVDATISVDVVGM-------LKSILQIVVIPITAGLVIHHTFTKMSMVCILAIISAVVAGSQSHIASVGFVVIIAVILHNGIGLLSGYWGGKLFGFDESTCRTLAIEVGM---------QNSGLAATLGKIYFSPLAALPGALFSVWHNLSGSLLAGYWSGKPVKKDQE-------------------------------------------------------------------

3wajA1

0.11

0.09

0.83

1.36

PPAS

--------------------------------------------------SVLVIAALISV---KLRILNPWNSVF------TWTVRLGGNLIENTIHNFPHRIWFDPFT--YGSYTHFGPFLVYLGSIAGIIFSATS----GESLRAVLA----FIPAIGGVLAILPVYLLTREVFDKRAAVIAAFLIAIVGQFLQRSILGFNDHHIWEAFWQVSALGTFLLAYNRLTARQMAYPVIAGITIGL-AGFIIAPIILAFMF-FAFVLAGFVNADRKNLSLVAVVTFAVSALIYLPFAFNY--PGFSTIFYSPFQLLVLLGSAVIAAAFYQIEKWNDVGFFERVKGMPLAVIVLTALIMGLFFVLTNAVLHFGALFFFGMAGILYSAYRFLKRR--SFPEMALLIWAIAMFIALW----------GQNRFAYYFAAVSAVYSALALSVVFDKLHFRVAFALLIALAAIYPTYILADAQSSYAGGPNKQ--RENTPDGEKYDEYYLQLYPTPQSNKEPFSYP---FETYGVI

5koeA

0.14

0.11

0.80

0.74

Env-PPAS

LLASGFDEDSCLSRYQSVHYRKPSPYKPS---------------SYLISKLRNYEKLHKRCGPGTESYKKALKQLDQDGDGE-------CKYVVWI----------------SFSGLGNRILSLASVFLYALLTDRVLLVDRGKDMDDLFCEPFLGMSWL--LPLDFPMTDQFDGLNQESSRCYGYMVKNQVIDLSHLYLHLVHDYGDHDKMFFC--EGDQTFIGKV------PWLIVKTDNYFVPSLWLIPGFDDELNKQKATVFHHLGRYLFHPTNQVWGLVTRYYEAYLSHADEKIGIQVRVFDEDPGPFQHVMDQISSCTQKEKLLPEVDTLV-----------------------ENTPKHKAVLVTSLNAGYAENLKSMYWEYPT-----------STGEII--GVHQPSQEGY-----MHNGKALAEMYLLSLTDNLVTSAWSTFGY----VAQGLGGLKPWILYRPENRTTPDPSC------------GRAMSMEPPPFYDCKAKTGIDTGTLVPISWGLK

3wajA1

0.10

0.09

0.85

0.98

MUSTER

---------------------------------------------SVLVIAALISVKLRILNPWNSVFTWTVR-------LGGNDPWYYYRLIENTIHNFPHRIWFDPFTYYPYSYTHFGPFLVYLGSIAGIIFSATS----GESLRAVLA----FIPAIGGVLAILPVYLLTREVFDKRAAVIAAFLIAIVGQFLQRSILGFNDHHIWEAFWQVSALGTFLLAYNRWKGHDLTAQMAYPVIAGITIGLYVLSWGAGFIIAPIILAFMFFAFVLARKNLSLVAVVTFAVSALIYLPFAFNYPGFSTIFYSPFQLLVLLGSAVIAAAFYQIEKWNDVGFFERVGLGRKGMPLAVIVLTALIMGLTNAVLHFGALFFFGMAGILYSAYRFSFPEMALLIWAIAM--FIALWGQ--------------NRFAYYFAAVSAVYSALALSVVFDKFALLIALAAIYPTYILADAQSSYAGGPNKQWYDALTWMRENTPDGEKYDEYYLQLYPTPQSNKEPFSYP---FETYGVI

3wajA1

0.09

0.08

0.84

0.82

dPPAS

---------------------------------------SVLVIAALISVKLRILNPWNSVFTWPWYYYRLIENTIHNFPHRI------------WFDPFTYYP--------YGSYTHFGPFLVYLGSIAGIIFSATS----GESLRAVLA----FIPAIGGVLAILPVYLLTREVFDKRAAVIAAFLIAIVPGQFLQRSILGFNDHHIWEAFWQVSALGTFLLAYNRWKGHIAGITIGLYVLSWGAGFIIAPIILAFMF-FAFVLAGFVNADRKNLSLVAVVTFAVSALIYLPFAFNYPGFSTIFYSPFQLLVLLGSAVIAAAFYQIEKWNDVGGLGRKGMPLAVIVLTALIMGLFFVLTNAVLHFGALFFFGMAGILYSAYRFLKRRSFPEMALLIWAIA--MFIALW-------------GQNRFAYYFAAVSAVYSALALSVVFDKLHFRVAFALLIALAAIYPTYILADAQSSYAGGPNKQWYDALRENTPDGEKYDEYYLQLYPTPQSNKEPFSYPFETYGVI

(a)	Iden1 is the number of template residues identical to query divided by number of aligned residues.
(b)	Iden2 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.
(e)	Download Align. list the threading program used to identify the template provide the 3D structure of aligned regions of threading templates.

Top 1 final models predicted by I-TASSER

(For each target, I-TASSER simulations generate a large ensemble of structural conformations, called decoys. To select the final models, I-TASSER uses the SPICKER program to cluster all the decoys based on the pair-wise structure similarity, and reports up to five models which corresponds to the five largest structure clusters. The confidence of each model is quantitatively measured by C-score that is calculated based on the significance of threading template alignments and the convergence parameters of the structure assembly simulations. C-score is typically in the range of [-5, 2], where a C-score of higher value signifies a model with a high confidence and vice-versa. TM-score and RMSD are estimated based on C-score and protein length following the correlation observed between these qualities. Since the top 5 models are ranked by the cluster size, it is possible that the lower-rank models have a higher C-score in rare cases. Although the first model has a better quality in most cases, it is also possible that the lower-rank models have a better quality than the higher-rank models as seen in our benchmark tests. If the I-TASSER simulations converge, it is possible to have less than 5 clusters generated. This is usually an indication that the models have a good quality because of the converged simulations.)

More about C-score

Local structure accuracy of first model

Download Model 1

C-score=0.01

Estimated TM-score = 0.71±0.11

Estimated RMSD = 7.4±4.3Å

Proteins structureally close to the target in PDB (as identified by TM-align

(After the structure assembly simulation, I-TASSER uses the TM-align structural alignment program to match the first I-TASSER model to all structures in the PDB library. This section reports the top 10 proteins from the PDB that have the closest structural similarity, i.e. the highest TM-score, to the predicted I-TASSER model. Due to the structural similarity, these proteins often have similar function to the target. However, users are encouraged to use the data in the next section 'Predicted function using COACH' to infer the function of the target protein, since COACH has been extensively trained to derive biological functions from multi-source of sequence and structure features which has on average a higher accuracy than the function annotations derived only from the global structure comparison.)

Top 10 Identified stuctural analogs in PDB

Rank	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov
1	3w3tA	0.933	1.92	0.087	0.975
2	2x19B	0.763	4.29	0.071	0.930
3	4c0oA	0.762	4.20	0.068	0.926
4	4xriA	0.759	4.09	0.079	0.913
5	3ea5B	0.757	4.13	0.086	0.911
6	2x1gF	0.752	4.40	0.065	0.922
7	3m1iC	0.734	5.00	0.053	0.936
8	1qgkA	0.717	4.91	0.094	0.917
9	5dlqB	0.713	5.08	0.072	0.917
10	3a6pA	0.701	5.16	0.070	0.907

(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 function using COACH

(This section reports biological annotations of the target protein by COACH based on the I-TASSER structure prediction. COACH is a meta-server approach that combines multiple function annotation results from the COFACTOR, TM-SITE and S-SITE programs.)

Ligand binding sites

Rank	C-score	Cluster size	PDB Hit	Lig Name	Download Complex	Ligand Binding Site Residues
1	0.11	6	3w3wA	III	Rep, Mult	232,233,235,236,239,240,243,283,317,320,321,352,355,358,359,362,392,395
2	0.07	4	5b56B	III	Rep, Mult	235,275,279,282,314,317,321,324,355,358,359,362,392,395,399,435,473
3	0.04	2	3lw51	CLA	Rep, Mult	395,398,399
4	0.04	2	3l26B	MG	Rep, Mult	403,404,405
5	0.04	2	1f59B	III	Rep, Mult	251,254,255,258,259,291,292,295,296
6	0.02	1	1f59B	III	Rep, Mult	294,298,301,302,337,341
7	0.02	1	2wsc2	CLA	Rep, Mult	403,453
8	0.02	1	1bk5B	CO	Rep, Mult	38,102
9	0.02	1	1q90M	BCR	Rep, Mult	434,438
10	0.02	1	2bptA	III	Rep, Mult	123,124,128,161,163,164,165,166,168,169,170,203,206,207
11	0.02	1	2z3hB	BLO	Rep, Mult	156,159
12	0.02	1	2gl7D	III	Rep, Mult	174,177,180,182,187,191
13	0.02	1	1clcA	CA	Rep, Mult	253,256,258
14	0.02	1	2gl7A	III	Rep, Mult	124,128,131,139,148,152,155
15	0.02	1	2vglA	IHP	Rep, Mult	357,374,378,392,396,397,400
16	0.02	1	1rwtB	CHL	Rep, Mult	180,182
17	0.02	1	1o6pA	III	Rep, Mult	85,140,144

	Download the all possible binding ligands and detailed prediction summary.
	Download the templates clustering results.
(a)	C-score is the confidence score of the prediction. C-score ranges [0-1], where a higher score indicates a more reliable prediction.
(b)	Cluster size is the total number of templates in a cluster.
(c)	Lig Name is name of possible binding ligand. Click the name to view its information in the BioLiP database.
(d)	Rep is a single complex structure with the most representative ligand in the cluster, i.e., the one listed in the Lig Name column. Mult is the complex structures with all potential binding ligands in the cluster.

Enzyme Commission (EC) numbers and active sites

Rank	Cscore^EC	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov	EC Number	Active Site Residues
1	0.060	3dpyA	0.430	4.41	0.049	0.531	2.5.1.58,2.5.1.59	NA
2	0.060	1w3bB	0.354	6.01	0.042	0.505	2.4.1.-	129
3	0.060	3ihyC	0.382	6.83	0.044	0.588	2.7.1.137	126
4	0.060	1d8dA	0.399	5.27	0.063	0.537	2.5.1.58	NA
5	0.060	1slyA	0.401	7.68	0.071	0.669	4.2.2.-	254
6	0.060	2x6fA	0.382	6.63	0.059	0.571	2.7.1.137,2.7.1.153,2.7.1.154	136,140,149,190
7	0.060	1yq2A	0.356	7.63	0.044	0.582	3.2.1.23	NA
8	0.060	2w00B	0.357	7.59	0.041	0.584	3.1.21.3	131
9	0.060	2olsA	0.358	7.69	0.039	0.596	2.7.9.2	NA
10	0.060	2gv9B	0.361	7.19	0.069	0.571	2.7.7.7	254
11	0.060	2vdcF	0.366	7.80	0.036	0.618	1.4.1.13	171,189
12	0.060	1lf6A	0.361	6.76	0.030	0.535	3.2.1.3	NA
13	0.060	1ea0A	0.370	7.60	0.034	0.614	1.4.1.13	NA
14	0.060	1i8qA	0.368	7.49	0.024	0.611	4.2.2.1	153,190,192
15	0.060	1hn0A	0.424	7.32	0.036	0.686	4.2.2.20	195
16	0.060	2vdcA	0.365	7.71	0.044	0.603	1.4.1.13	NA
17	0.060	3ecqB	0.367	7.84	0.056	0.618	3.2.1.97	NA
18	0.060	3draA	0.387	5.21	0.051	0.518	2.5.1.58,2.5.1.59	NA
19	0.060	2j5wA	0.368	8.00	0.039	0.629	1.16.3.1	NA

(a)	Cscore^EC is the confidence score for the 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.

Gene Ontology (GO) terms

Rank	Cscore^GO	TM-score	RMSD^a	IDEN^a	Cov	PDB Hit	Associated GO Terms
Homologous GO templates in PDB
0	0.23	0.933	1.94	0.09	0.98	3w3uA	GO:0000059 GO:0000060 GO:0005634 GO:0005737 GO:0006406 GO:0006606 GO:0006607 GO:0006610 GO:0006810 GO:0007088 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0034399 GO:0060188
1	0.23	0.670	4.53	0.07	0.83	4a0cA	GO:0000151 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0010265 GO:0016020 GO:0016567 GO:0017025 GO:0030154 GO:0031461 GO:0043086 GO:0045893 GO:0045899 GO:0070062
2	0.22	0.759	4.09	0.08	0.91	4xriA	GO:0005622 GO:0006886 GO:0008536
3	0.18	0.715	4.81	0.08	0.90	3zjyE	GO:0005634 GO:0005737 GO:0006606 GO:0006810 GO:0006886 GO:0008139 GO:0008536 GO:0008565 GO:0015031 GO:0031965
4	0.18	0.706	4.69	0.06	0.88	3w3zA	GO:0000059 GO:0000060 GO:0005634 GO:0005737 GO:0006406 GO:0006606 GO:0006607 GO:0006610 GO:0006810 GO:0007088 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0034399 GO:0060188
5	0.14	0.762	4.27	0.07	0.93	4c0qA	GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
6	0.14	0.719	4.71	0.06	0.91	3zkvA	GO:0005737 GO:0006606 GO:0006886 GO:0007270 GO:0008139 GO:0008536 GO:0008565 GO:0031965 GO:0042331 GO:0050804
7	0.11	0.753	4.30	0.07	0.92	4ol0B	GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
8	0.11	0.495	4.98	0.07	0.63	4tnmA	GO:0005634 GO:0005643 GO:0005654 GO:0005737 GO:0005829 GO:0006606 GO:0006607 GO:0006810 GO:0006952 GO:0008139 GO:0008565 GO:0015031
9	0.11	0.734	4.97	0.05	0.94	3wyfC	GO:0000055 GO:0000776 GO:0005634 GO:0005737 GO:0005816 GO:0006406 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0034501 GO:0048471
10	0.10	0.505	5.28	0.06	0.66	4b18A	GO:0000018 GO:0005634 GO:0005643 GO:0005654 GO:0005737 GO:0005829 GO:0006309 GO:0006606 GO:0006607 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0016032 GO:0019054 GO:0030425 GO:0075733
11	0.10	0.490	4.87	0.06	0.62	4rxhB	GO:0005634 GO:0005737 GO:0006606 GO:0006810 GO:0008565 GO:0015031
12	0.09	0.561	5.62	0.07	0.76	4uqiB	GO:0003279 GO:0003281 GO:0005048 GO:0005802 GO:0005829 GO:0005886 GO:0005905 GO:0006810 GO:0006886 GO:0006897 GO:0007018 GO:0007507 GO:0008565 GO:0015031 GO:0016020 GO:0016192 GO:0019886 GO:0030117 GO:0030118 GO:0030122 GO:0030131 GO:0030276 GO:0030666 GO:0030669 GO:0032403 GO:0035615 GO:0035904 GO:0036020 GO:0042059 GO:0043231 GO:0048013 GO:0048268 GO:0050690 GO:0060071 GO:0060976 GO:0072583
13	0.09	0.685	4.86	0.07	0.87	2xwuB	GO:0005634 GO:0005737 GO:0006606 GO:0006810 GO:0006886 GO:0008139 GO:0008536 GO:0008565 GO:0015031 GO:0031965
14	0.08	0.752	4.40	0.07	0.92	2x1gF	GO:0005737 GO:0006606 GO:0006886 GO:0007270 GO:0008139 GO:0008536 GO:0008565 GO:0031965 GO:0042331 GO:0050804
15	0.07	0.505	4.81	0.05	0.63	4uadA	GO:0005634 GO:0005643 GO:0005654 GO:0005737 GO:0005829 GO:0006606 GO:0006607 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0016020 GO:0045944 GO:0060135
16	0.07	0.508	5.35	0.04	0.67	4uaeA	GO:0005634 GO:0005643 GO:0005654 GO:0005737 GO:0005829 GO:0006606 GO:0006607 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0019054 GO:0042542 GO:0070062 GO:0075733
17	0.07	0.677	5.24	0.08	0.90	5difC	GO:0000055 GO:0000776 GO:0005634 GO:0005737 GO:0005816 GO:0006406 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0034501 GO:0048471
18	0.07	0.603	4.94	0.07	0.77	4c0qB	GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
19	0.07	0.533	6.52	0.07	0.80	1b3uA	GO:0000086 GO:0000159 GO:0000184 GO:0000188 GO:0000775 GO:0003823 GO:0004722 GO:0005634 GO:0005694 GO:0005737 GO:0005739 GO:0005829 GO:0006275 GO:0006355 GO:0006461 GO:0006470 GO:0006672 GO:0006915 GO:0007059 GO:0007084 GO:0007143 GO:0008380 GO:0008601 GO:0010033 GO:0015630 GO:0016020 GO:0019932 GO:0030111 GO:0030155 GO:0030308 GO:0034047 GO:0040008 GO:0042518 GO:0045595 GO:0046982 GO:0051232 GO:0051306 GO:0051754 GO:0070062 GO:0070262 GO:1903538 GO:2001241
20	0.07	0.487	4.82	0.06	0.62	3l6xA	GO:0005102 GO:0005634 GO:0005737 GO:0005829 GO:0005886 GO:0005911 GO:0005913 GO:0005915 GO:0006351 GO:0006355 GO:0007155 GO:0007420 GO:0016020 GO:0016055 GO:0016337 GO:0019901 GO:0030027 GO:0030426 GO:0030496 GO:0034332 GO:0043197 GO:0045202 GO:0045296 GO:0050839 GO:0070062 GO:0090090 GO:0098641
21	0.07	0.505	5.20	0.07	0.66	1ialA	GO:0005634 GO:0005643 GO:0005654 GO:0005737 GO:0005829 GO:0006606 GO:0006607 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0016020 GO:0042826 GO:0044822
22	0.07	0.487	5.15	0.06	0.63	4b8jA	GO:0005634 GO:0005643 GO:0005654 GO:0005737 GO:0005829 GO:0006606 GO:0006607 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0016032 GO:0048471
23	0.06	0.381	7.05	0.06	0.59	2iw3B	GO:0000166 GO:0001933 GO:0003723 GO:0003746 GO:0005524 GO:0005737 GO:0005840 GO:0006412 GO:0006414 GO:0006415 GO:0006469 GO:0010494 GO:0016887 GO:0019843 GO:0022626 GO:0042788
24	0.06	0.319	7.45	0.04	0.51	2hivA	GO:0000166 GO:0003677 GO:0003909 GO:0003910 GO:0005524 GO:0005737 GO:0006260 GO:0006273 GO:0006281 GO:0006310 GO:0006974 GO:0007049 GO:0016874 GO:0046872 GO:0051103 GO:0051301 GO:0071897
25	0.06	0.278	7.84	0.05	0.47	1tllA	GO:0001666 GO:0001917 GO:0004517 GO:0005506 GO:0005516 GO:0005634 GO:0005737 GO:0005739 GO:0005741 GO:0005829 GO:0005886 GO:0006527 GO:0006809 GO:0007263 GO:0007565 GO:0007568 GO:0008016 GO:0008285 GO:0009408 GO:0010181 GO:0010243 GO:0010288 GO:0012506 GO:0014069 GO:0014070 GO:0014823 GO:0016020 GO:0016491 GO:0016597 GO:0017080 GO:0018119 GO:0019899 GO:0020037 GO:0030425 GO:0031284 GO:0031667 GO:0031965 GO:0032496 GO:0033137 GO:0033197 GO:0035094 GO:0042383 GO:0042582 GO:0042803 GO:0042995 GO:0043066 GO:0043197 GO:0043234 GO:0043434 GO:0043627 GO:0044325 GO:0045202 GO:0045471 GO:0045776 GO:0045822 GO:0045906 GO:0045909 GO:0046676 GO:0046870 GO:0046872 GO:0048148 GO:0048471 GO:0050660 GO:0050661 GO:0051117 GO:0051481 GO:0051930 GO:0055114 GO:0071260 GO:0071731 GO:0071872 GO:0097110 GO:1900273 GO:1901216 GO:1902307
26	0.06	0.265	7.51	0.05	0.43	3f3fH	GO:0000055 GO:0005634 GO:0005643 GO:0006406 GO:0006606 GO:0006810 GO:0015031 GO:0016020 GO:0017056 GO:0031080 GO:0031081 GO:0031965 GO:0045893 GO:0051028
27	0.06	0.243	6.93	0.06	0.38	1l2qA	GO:0008168 GO:0015948 GO:0016740 GO:0032259 GO:0043852

Consensus prediction of GO terms

Molecular Function	GO:0008139	GO:0008565	GO:0008134	GO:0008536
GO-Score	0.48	0.48	0.46	0.36
Biological Processes	GO:0050790	GO:0060261	GO:0044092	GO:0045898	GO:0048869	GO:0032446	GO:0000059	GO:0060188	GO:0006406	GO:0007088	GO:0006610	GO:0006607	GO:0000060
GO-Score	0.46	0.46	0.46	0.46	0.46	0.46	0.37	0.37	0.37	0.37	0.37	0.37	0.37
Cellular Component	GO:0031965	GO:1903561	GO:0044444	GO:1990234	GO:0031988	GO:0034399
GO-Score	0.48	0.46	0.46	0.46	0.46	0.37

(a)	Cscore^GO is a combined measure for evaluating global and local similarity between query and template protein. It's range is [0-1] and higher values indicate more confident predictions.
(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.
(f)	The second table shows a consensus GO terms amongst the top scoring templates. The GO-Score associated with each prediction is defined as the average weight of the GO term, where the weights are assigned based on Cscore^GO of the template.

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]

Please cite the following articles when you use the I-TASSER server:
1.	J Yang, R Yan, A Roy, D Xu, J Poisson, Y Zhang. The I-TASSER Suite: Protein structure and function prediction. Nature Methods, 12: 7-8, 2015.
2.	J Yang, Y Zhang. I-TASSER server: new development for protein structure and function predictions, Nucleic Acids Research, 43: W174-W181, 2015.
3.	A Roy, A Kucukural, Y Zhang. I-TASSER: a unified platform for automated protein structure and function prediction. Nature Protocols, 5: 725-738, 2010.
4.	Y Zhang. I-TASSER server for protein 3D structure prediction. BMC Bioinformatics, 9: 40, 2008.