I-TASSER results

I-TASSER results for job id Rv1376

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

Input Sequence in FASTA format

>protein (497 residues)
MTACGRIVVTAGPTISAADIRSVVPDAEVAPPIAFGQALSYDLRSGDTLLIVDGLFFQQP
SVRHKELLTLMADGVRVVGSSSMGALRAAELHPFGMEGYGWVFESYRDGVLEADDEVGVV
HGDADDGYPVFVDALVNMRHTLARAVATGVVCSELAERIIETARATPFTMRTWARLLSEV
GAPDQRGLAAQLRSLRVDVKHADALLALRQLGQRPRVEPLRPGPPPTVWSRRWRQRWAPP
TSVAASADHGESFVDVTDLEVLSFLSVSSVDYWAYRPALQQVAAWYWTLKHPEQSGSVGE
RAARAVAEVASEGYGRALEFIAYRYALATGIIDETGFPEAVAAHWLTTEERHGLGNDPIS
ISARVITRTLFVVRLLPAIDHFLDLLRKDSRLPRWRAMAAHALCKRDDLARQKPHLNLGR
PDPTQLKRLFGARWGTQVNRIELARRGLMTEDAFYAAATPFAVAAVDDQLPRIEVGTLGP
APLSADVPERHFDFGSV

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MTACGRIVVTAGPTISAADIRSVVPDAEVAPPIAFGQALSYDLRSGDTLLIVDGLFFQQPSVRHKELLTLMADGVRVVGSSSMGALRAAELHPFGMEGYGWVFESYRDGVLEADDEVGVVHGDADDGYPVFVDALVNMRHTLARAVATGVVCSELAERIIETARATPFTMRTWARLLSEVGAPDQRGLAAQLRSLRVDVKHADALLALRQLGQRPRVEPLRPGPPPTVWSRRWRQRWAPPTSVAASADHGESFVDVTDLEVLSFLSVSSVDYWAYRPALQQVAAWYWTLKHPEQSGSVGERAARAVAEVASEGYGRALEFIAYRYALATGIIDETGFPEAVAAHWLTTEERHGLGNDPISISARVITRTLFVVRLLPAIDHFLDLLRKDSRLPRWRAMAAHALCKRDDLARQKPHLNLGRPDPTQLKRLFGARWGTQVNRIELARRGLMTEDAFYAAATPFAVAAVDDQLPRIEVGTLGPAPLSADVPERHFDFGSV
Prediction	CCCCCCEEEEHCCCCCHHHHHHHCCCCEHCCCCCCCHHHHHHCCCCCEEEEEHCCCCCCCCCCHHHHHHHHHHCCEEEEHCCHHHHHHHHHCCCCCEEEHHHHHHHHHCCCCCCHHHEEHCCCCCCCCCCCCHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHCCCCCCHHHHHHHHHCCCHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHCCCCCCCCCCHHHHHHCCCHHHHHCCCCCCEEEEEEEEEEEEEEHCCCCHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCHHHHHHHHHHHCCCCCCCEEHHHHCCCCHHHHHHHHCHEEEEHCCCCCCCEEHCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	98898489997899999999998598788588644556776557897999995767888886569999999989989985566788888645668755457888888688888655444348978898755466766999999999989999999999999999879875759999999888758999999998785488999999999999975678888899986578999998667777655678887544456778999987655545678899999988656665775567746889999999755455567888887765445666778997889997588788875888764566678888887756875799999999768987899999999999999999867877788899999999999875888753464666667557776544435676558888745554568888777787555677889
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MTACGRIVVTAGPTISAADIRSVVPDAEVAPPIAFGQALSYDLRSGDTLLIVDGLFFQQPSVRHKELLTLMADGVRVVGSSSMGALRAAELHPFGMEGYGWVFESYRDGVLEADDEVGVVHGDADDGYPVFVDALVNMRHTLARAVATGVVCSELAERIIETARATPFTMRTWARLLSEVGAPDQRGLAAQLRSLRVDVKHADALLALRQLGQRPRVEPLRPGPPPTVWSRRWRQRWAPPTSVAASADHGESFVDVTDLEVLSFLSVSSVDYWAYRPALQQVAAWYWTLKHPEQSGSVGERAARAVAEVASEGYGRALEFIAYRYALATGIIDETGFPEAVAAHWLTTEERHGLGNDPISISARVITRTLFVVRLLPAIDHFLDLLRKDSRLPRWRAMAAHALCKRDDLARQKPHLNLGRPDPTQLKRLFGARWGTQVNRIELARRGLMTEDAFYAAATPFAVAAVDDQLPRIEVGTLGPAPLSADVPERHFDFGSV
Prediction	74462200000010043730351055030110032020121136511000000000142100002000200343020000000000000002511010001002103634033100000000337311310020001013004202654103571053015104712033100420064043642530251056222410240023005303733515544433223202440353044243232444444320310212002003121551241230033000121104104642433340230224023543430032033321114212553421530142002145355246331212020001001103102003100400364231330240043033345614544340303414252035101631424143030243211243001000100000003440130312211312042512532152357
	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

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

Sec.Str
Seq

CCCCCCEEEEHCCCCCHHHHHHHCCCCEHCCCCCCCHHHHHHCCCCCEEEEEHCCCCCCCCCCHHHHHHHHHHCCEEEEHCCHHHHHHHHHCCCCCEEEHHHHHHHHHCCCCCCHHHEEHCCCCCCCCCCCCHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHCCCCCCHHHHHHHHHCCCHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHCCCCCCCCCCHHHHHHCCCHHHHHCCCCCCEEEEEEEEEEEEEEHCCCCHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCHHHHHHHHHHHCCCCCCCEEHHHHCCCCHHHHHHHHCHEEEEHCCCCCCCEEHCCCCCCCCCCCCCCCCCCCCCC
MTACGRIVVTAGPTISAADIRSVVPDAEVAPPIAFGQALSYDLRSGDTLLIVDGLFFQQPSVRHKELLTLMADGVRVVGSSSMGALRAAELHPFGMEGYGWVFESYRDGVLEADDEVGVVHGDADDGYPVFVDALVNMRHTLARAVATGVVCSELAERIIETARATPFTMRTWARLLSEVGAPDQRGLAAQLRSLRVDVKHADALLALRQLGQRPRVEPLRPGPPPTVWSRRWRQRWAPPTSVAASADHGESFVDVTDLEVLSFLSVSSVDYWAYRPALQQVAAWYWTLKHPEQSGSVGERAARAVAEVASEGYGRALEFIAYRYALATGIIDETGFPEAVAAHWLTTEERHGLGNDPISISARVITRTLFVVRLLPAIDHFLDLLRKDSRLPRWRAMAAHALCKRDDLARQKPHLNLGRPDPTQLKRLFGARWGTQVNRIELARRGLMTEDAFYAAATPFAVAAVDDQLPRIEVGTLGPAPLSADVPERHFDFGSV

3ighX

0.15

0.13

0.87

0.74

MUSTER

SFNPLKKVIYAG---DSEVAKKIVSGGEIV------DL-----KGKYVMPFFD-------SHLHLDELGMSLEMVDLRGAKSIEELIQRLKRGKGIFGFGWDQDELGEWPTRKELNVFIYRKCFHVAV--ANDKMLELLNLTPSKDDTGIIKEKSLEEARKVINERVLTVEDYVYYIKRA---QEHLLDLGVKSVSFMSVNEKALRALFYLEREGKL----SINVFAYVTPEVLDKLESIGLGRFQGNR----LTIAGVKLFTDGSLGARTALLSKP-------YSDDPSTSGQLVMEREELIRITEKARSLGLDVAIGDKALDVALD--VFETTGFPGRIEASLVRDDQLERVKNLKVRLSVQ----PHFIISDWWIVERVEERVKWVYRFKDLMKVAELGF---------STDSPIEPADPWLTVDAAVNRGKGKVKLYELTKDQALDIKDALHSYTY-ARVSLASDIGKLEPGFK------AEILDR--DPLVV

3hfwA

0.13

0.08

0.66

0.58

dPPAS

---------------------------------------------------------------------------------------------------------------------------------------------MEKYVAA-MVLSAAGDALGYYNGKWEFLQDKIHRQLAQLGGLHLATAEALVEAGKAPKLTQLYYLLAKHYQDCMEDMDGRAPGGASVHNAMQLKPGKPNGWRIPFNSHEGGCGAAMRAMCIGLRFPH----HSQLDTLIQVSIESGRMTHHHPTGYLGALASALFTAYAVNSRPPLQWGKGLMELLPEAIVQSGYFVEENLQHWSYFQTKWENYLKLRGILDGESAPTFPESFGVKERDQFYTSLSYSGWGPMIAYDAVLAAGWKELAHRAFFHGGDSDSTAAIAGCWWGVMYGFKGVSPSNYEKLEYRNRLEETARALYSLGSKEDTVISL------------------------

3gnhA

0.17

0.12

0.72

0.68

wdPPAS

-----EIKAVSAARLLDVASGKYVDNPLVI--VTDG-----------RITSIGKKGDAVPA------------GATAVDLP--GVT---------LPGL--I-----------D---MHVHLDSLAEVGGYNSLEYSDRFWSVVQTAN---AKKTLEAGFTTVRNV-------------AADYDDVGLREAIDAGYV-----------RIVTAAISFGATGGHCDST----------FFPPSMDQKNPFNSDSPDEARKAVRTLKKYGAQ-------VIICATGGVFSRGNEPGQQQLTYEEMKAVVDEAHM-AGIKVGASGIREAVRAGVDT-------EHASLVDDEGIK-----------LAVQKGAYFSMDIYNTDYTQAEGKKNGVLEDNLRKDRDIGELQRENFRK----------KAGVKMVY----GTDAGIY-MVRYGATPLQAIQSALTAAEALGRSKDVGQVAVGRYGAGPL-ADV--EKPVFGAV

3ighX

0.16

0.13

0.84

0.73

wMUSTER

SFNPLKKVIYAG---DSEVAKKIVSGGEIV------DL-----KGKYVMPFFDSH-------LHLDELGMSLEMVDLRGAKSIEELIQRLKRGKGIFGFGWDQDELGEWPTRKELNVFIYRKCFH-------VAVAN-DKMLELL-DTGIIKEKSLEEARKVINE---RVLTVEDYVYYIKR-AQEHLLDLVSFMSVN---EKALRALFYLEREGKL----SINVFAYVTPEVLDKLESIGLGRFQGNR----LTIAGVKLFTDGSLGARTALLSKP-------YSDDPSTSGQLVMEREELIRITEKARSLGLDVAI-DKALDVALD--VFETTGFPGRI-ASLVRDDQLERVKNLKVRLSVQ--------PHFIISDWWIVERVG--------EERVKWVYRFKDLMKVAETDSPIEPADPWLTVDAAVNRGKGKVKLYELTKDQALDIKDALHSYTY-ARVSLASDIGKLEPGFK------AEILDR--DPLVV

3ighX

0.15

0.12

0.78

0.68

wPPAS

SFNPLKKVIYAG---DSEVAKKIVSGGEIV---LKGKYV--------MPAFFDS---------HHLDELGMSLEVDLRGAKSIQRLKRGK-GRI-IFGFGWDQDELGEWPTRKENAVFIYR---KCFHV----AVAN-DKMLELL--TGIIKEKSLEEARKVINERVLTVEDYVYYIKRA---QEHLLDLGVKS--SF---EKALRALFYLEREGKLSIVFAYVTPEVLDKLESIGLGRFQGNRTDGSLGARTALLSK---------DPSTSGQLVMEREELIRITEKAR---SLG-----AIHAIGDKALDVALDVFETTGFPGRIE--------------ASLVRDDQLERV--------KNLVRLSVQ-----PSDWWIVERVGEEKWVYRFKDLMKVALG--D--------SPIEPADPWLTVDAAVNR-GKGKVKLYTKDQAL-DIKDALHSYTY-ARVSLASDIGKLEPGFK--A-LDRDVKEHH------

2qs8A

0.12

0.08

0.69

0.72

dPPAS2

-------------------SKTLIHAGKLIDGKSD------QVQSRISIVIDGNI-------------------ISDIKKGF--------------------------ISSNDFEDYQEYQSKAQAPIKVEREQAILATQHAYVTFKSGF----------TTVRQVG------------DSGLVAISLRDAINSGKL---------------AGPRIFAAGKTIATTG---------GHADPTNGKAVDDYDYPVPEQG--------VVNGPYEVYAAVRQRYKDGADGIKITVTGGVLSVAKSGQNPQFTQEEVDAVVSAAKDYGWVA-VHAHGAEGKRAIKAGVDSIEHGTFDLEADLIENGT-----YYVPTISAGEFVAEKSKIDNFFPKAASVGPQISDTFRKAYEKGVKIAFGTD---------AGVQKHGTNWKEFVYVENGPAKAIQSATETAKLLRIEDKLGSIESGKL------ADL---------I

3ighX

0.15

0.12

0.83

0.84

PPAS

SFNPLKKVIYAGD---SEVAKKIVSGGEIV---LKGKYV--------MPAFFDS--------LHLDELGMSLEMVDLRGAKSIEELIQRLKRGKGRIIFGFGWDQDELGEWAIDKPVFIYRKCFHVAV-------ANDKMLELLNLTPSKDFDEDTGIIKEKSLE------EARKVINERVLTVEDYVYYIKRAQEHLLDLEKALRALFYLEREGKLSIVFAYVTPEVLDKLESIGLGRFQGNRLTIAGVKLFTDGSLGARTALLS-DPSTSGQLVMEREELIRITEKARSLGLD------AIHAIGDKALDVALDVFETTGFPGRIE--------------ASLVRDDQLERVKNLKVRLSV-------HFIISDWWIVERVGEERVK-WVYRFKDLMKVAE---------STDSPIEPADPWLTVDAAVNRGKGKVKLYELTKDQALDIKDALHSYTY-ARVSLASDIGKLEPGFKA---LDRDVKEHH------

3q2iA

0.15

0.10

0.66

0.86

Env-PPAS

--------------------------MIVIPPITDRKI---------RFALVGGRIANN----HFGALEKHADRAELIDVCDIDPAALKAAVRTGA----RGHASLTD--MLAQTDADIVI---------LTTPSGLHPTQSIECSEAGFTRWEDGLEMVKAADKAVKQNR-R--------NATLQLLKRAMQEKRFRIYMVNV----------------------NVFWTRPQEYYDAAGWRGTWEFDGGAFMNQ---------------------ASHYVDLLDWLIGPV----------ESVQAYTATLARNIEVEDTGT--VS---VKWRSGALGSMNVTMLTY-----PKNLEGSITILGEKGSVRVGGVAV---NEIQHWEFSEPHAMDEEIKDASG---------FGH-------PLYYDNVIKTMRGEATPETD-GREGLKSLELLIAMYLS----ARDGRR----V----------SLP---LDY---

3we0A

0.15

0.13

0.93

0.74

MUSTER

----KKPITIFGPDFPF-AFDDWLEH-----PAGLGSIPAAR--HGEEVAIV-GI------VAAYELMKLLK--PVVYEASKMG--RLAELGGMRFPVSSTAFYHYVD-PLTPASRSTVIDLEGQTYYAEKAADLPALFQEVTDAWADALESGARFGDIQQAIRD-RDVPRLKELWNTLVPLWDDRTFYDFVATS--KAFAKLSFQHREVFGQVGFGTGGWDSDFPNSMLEIFRVVMTNCDDHQHLVVGGVEQVPQGIWRHVSLSSLHGGAPRTGVKRIARASDGRLAVTDNWGDCRHYAALTTCQSWLLTTQEESLFSQKMWMALDRTRYMQSSKTFVMVDRPFWKDKDPETGRDLMSMTLTDRLTRGTYLFDNGDRVQLALDALKK-PKTDIAGHIIGDPITIS---WEADPHFLALPGHYRYNQRMYAAQMPVEQRGIFIAGDDVSWTPAWVEGAVQTSLNAVW----GI-MNHFGGKTHADNGPGDVFDIGQI

4luqA

0.12

0.09

0.73

0.56

dPPAS

---------------------------------------------------------------------------------------------------------------------------------HMTATSDLIESLISYSWDDWQVTRQEARRVIAAIRNDNVPDGSLIKLFQRVGPPELARSLIASIAGRTTMQRYQARNALIRSLINNPLGTQTDNWIYFPTITFFDICADAAGATGVASQAIQGPFSGVGATGVNPTDLPSIAFGDQLKLLNKDPATVTKYSNPLGDSQLSPQDKLNQAQTLVGQPISTLFPDAYRAKVMSAAARKYDLTPQLIGAIILAEQRDQIKSANTSIGLGQVVVSTAIKYELFTDLLGQPVRRGLSRKAVATLLASDEFNIFATARYIRYVANLASQQDLRKLPKTRGAFPSIDLRAYAGNPRNWPRDNVRALASEYTSRPWDDNLSPGWPMFVDDAYATFLDPGMRFP----

(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 5 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=-2.22

Estimated TM-score = 0.45±0.15

Estimated RMSD = 12.7±4.3Å

Download Model 2

C-score=-3.46

Download Model 3

C-score=-2.74

Download Model 4

C-score=-2.77

Download Model 5

C-score=-4.73

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	3ighX	0.808	2.78	0.122	0.885
2	3ls9A	0.559	4.35	0.085	0.690
3	4dzhA	0.552	4.11	0.102	0.670
4	3e0lA	0.550	4.43	0.085	0.684
5	4dykA	0.550	4.05	0.070	0.662
6	4v1xA	0.550	4.33	0.097	0.682
7	3hpaA	0.547	4.34	0.087	0.674
8	2i9uA	0.545	4.33	0.063	0.672
9	2qt3A	0.544	3.90	0.087	0.648
10	2oodA	0.544	4.41	0.087	0.672

(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	0.13	6	3n2cF	ZN	Rep, Mult	64,198,260,415
2	0.07	3	1fa0A	MN	Rep, Mult	114,115
3	0.04	2	4ytsC	TGS	Rep, Mult	87,88
4	0.04	2	2yyeA	CO	Rep, Mult	52,53
5	0.02	1	3igh0	III	Rep, Mult	22,23,25,206,209,213,236,238,239,240,241,242,244,246,247,312,313
6	0.02	1	1v51A	ZN	Rep, Mult	64,90
7	0.02	1	4ukiS	MG	Rep, Mult	171,203
8	0.02	1	2a8qA	MN	Rep, Mult	56,66
9	0.02	1	1bk5B	CO	Rep, Mult	74,125
10	0.02	1	1o5qA	MG	Rep, Mult	123,171
11	0.02	1	1p1mA	MET	Rep, Mult	71,75,76,89
12	0.02	1	1w49A	MG	Rep, Mult	14,53
13	0.02	1	3mkvG	CO3	Rep, Mult	103,104,123,128
14	0.02	1	2aobB	S1S	Rep, Mult	82,83

	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	0.067	2gokA	0.539	4.35	0.072	0.670	3.5.2.7	NA
2	0.067	2puzA	0.538	4.38	0.072	0.670	3.5.2.7	NA
3	0.067	2qt3B	0.543	3.96	0.087	0.650	3.5.99.4	NA
4	0.066	2g3fA	0.531	4.44	0.088	0.662	3.5.2.7	NA
5	0.066	2i9uA	0.545	4.33	0.063	0.672	3.5.4.3	260
6	0.060	3griB	0.464	5.15	0.058	0.610	3.5.2.3	231
7	0.060	1ybqA	0.470	4.90	0.085	0.606	3.4.19.1	90,100
8	0.060	3e0lA	0.550	4.43	0.085	0.684	3.5.4.3	NA
9	0.060	1a4lA	0.470	4.80	0.070	0.598	3.5.4.4	NA
10	0.060	1gkrA	0.469	5.09	0.075	0.614	3.5.2.2	NA
11	0.060	1m7jA	0.449	5.56	0.083	0.608	3.5.1.81	NA
12	0.060	2vr2A	0.453	5.76	0.079	0.620	3.5.2.2	257,258
13	0.060	1ra0A	0.532	4.76	0.068	0.668	3.5.4.1	86,103,106
14	0.060	3la4A	0.457	5.02	0.074	0.594	3.5.1.5	419
15	0.060	2oofA	0.519	4.34	0.084	0.644	3.5.2.7	NA
16	0.060	2uz9A	0.551	4.53	0.090	0.690	3.5.4.3	106
17	0.060	1ynyB	0.467	5.33	0.117	0.618	3.5.2.2	133
18	0.060	1k6wA	0.532	4.85	0.074	0.670	3.5.4.1	NA
19	0.060	1gkpA	0.469	5.14	0.090	0.618	3.5.2.2	NA
20	0.060	1p1mA	0.533	4.15	0.080	0.650	3.5.4.28	NA
21	0.060	2qt3A	0.544	3.90	0.087	0.648	3.5.99.4	NA
22	0.060	2z00A	0.462	4.96	0.086	0.600	3.5.2.3	NA
23	0.060	3lggA	0.505	5.48	0.039	0.682	3.5.4.4	122,125,127
24	0.060	1nfgA	0.461	5.39	0.082	0.618	3.5.2.2	121

(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	0.17	0.532	4.37	0.09	0.66	2oofA	GO:0005506 GO:0005737 GO:0006547 GO:0006548 GO:0008270 GO:0016787 GO:0016810 GO:0016812 GO:0019556 GO:0019557 GO:0046872 GO:0050480
1	0.16	0.808	2.78	0.12	0.89	3ighX	GO:0006259 GO:0016810 GO:0016888
2	0.15	0.777	3.08	0.10	0.87	3icjA	GO:0006259 GO:0016810 GO:0016888 GO:0046872
3	0.07	0.549	4.35	0.09	0.68	4v1xE	GO:0005737 GO:0016787 GO:0016810 GO:0018788 GO:0019381 GO:0046872
4	0.07	0.539	4.35	0.07	0.67	2gokA	GO:0005506 GO:0005737 GO:0006547 GO:0006548 GO:0008270 GO:0016787 GO:0016810 GO:0016812 GO:0019556 GO:0019557 GO:0046872 GO:0050480
5	0.07	0.543	3.92	0.09	0.65	4cqbA	GO:0005737 GO:0016787 GO:0016810 GO:0018764 GO:0019381 GO:0046872
6	0.07	0.533	4.16	0.08	0.65	1j6pA	GO:0004000 GO:0016787 GO:0016810 GO:0019239 GO:0019700 GO:0046872 GO:0050270 GO:0090614
7	0.07	0.527	4.94	0.09	0.67	4whbA	GO:0016787 GO:0016810
8	0.07	0.547	4.34	0.09	0.67	3hpaA
9	0.07	0.513	4.61	0.12	0.64	3mtwA	GO:0016787 GO:0016810 GO:0046872
10	0.07	0.506	4.33	0.10	0.62	3mkvA	GO:0016787 GO:0016810 GO:0046872
11	0.07	0.508	4.42	0.10	0.63	3n2cA
12	0.07	0.511	4.48	0.11	0.63	3be7A
13	0.07	0.470	4.90	0.09	0.61	1ybqA	GO:0005737 GO:0005829 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008798 GO:0016787 GO:0016810 GO:0046872
14	0.07	0.469	5.03	0.05	0.61	3mpgA	GO:0004151 GO:0006221 GO:0008270 GO:0009220 GO:0016787 GO:0016810 GO:0016812 GO:0044205 GO:0046872
15	0.07	0.469	4.97	0.05	0.61	3griB	GO:0004151 GO:0006221 GO:0008270 GO:0016787 GO:0016810 GO:0016812 GO:0044205 GO:0046872
16	0.07	0.464	4.98	0.08	0.60	2z00A	GO:0004151 GO:0006221 GO:0008270 GO:0016787 GO:0016810 GO:0016812 GO:0044205 GO:0046872
17	0.07	0.470	5.18	0.07	0.62	4bjhA	GO:0004151 GO:0006221 GO:0008270 GO:0016787 GO:0016810 GO:0016812 GO:0044205 GO:0046872
18	0.07	0.469	5.14	0.09	0.62	1gkpA	GO:0005737 GO:0016787 GO:0016810 GO:0046872

Consensus prediction of GO terms

Molecular Function	GO:0004520	GO:0016893	GO:0016810	GO:0046914
GO-Score	0.56	0.56	0.48	0.45
Biological Processes	GO:0044260	GO:0090304	GO:0006536	GO:0009063	GO:0015942	GO:0043606	GO:0006547
GO-Score	0.56	0.56	0.45	0.45	0.45	0.45	0.45
Cellular Component	GO:0044424
GO-Score	0.55

(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.