I-TASSER results

I-TASSER results for job id Rv1290c

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

Input Sequence in FASTA format

>protein (521 residues)
MLQRSLGVNGRKLAMSARSAKRERKNASTAASKCYVVPPSARGWVHAYSVTATSMLNRRK
AILDYLQGAVWVLPTFGVAIGLGSGAVLSMIPVKSGTLIDKLMFQGTPGDARGVLIVVSA
TMITTIGIVFSLTVLSLQIASSQFSVRLLRTFLRDVPNQVVLAIFACTFAYSTGGLHTVG
EHRDGGAFIPKVAVTGSLALAFVSIAALIYFLHHLMHSIQIDTIMDKVRLRTLGLVDQLY
PESDTADRQVETPPSPPADAVPLLAPHSGYLQTVDVDDIAELAAASRYTALLVTFVGDYV
TAGGLLGWCWRRGTAPGAPGSDFPQRCLRHVHIGFERTLQQDIRFGLRQMVDIALRALSP
ALNDPYTAIQVVHHLSAVESVLASRALPDDVRRDRAGELLFWLPYPSFATYLHVGCAQIR
RYGSREPLVLTALLQLLSAVAQNCVDPSRRVAVQTQIALVVRAAQREFADESDRAMVLGA
AARATEVVERPGTLAPPPSTFGQVAAAQAAASTIRSADRDG

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MLQRSLGVNGRKLAMSARSAKRERKNASTAASKCYVVPPSARGWVHAYSVTATSMLNRRKAILDYLQGAVWVLPTFGVAIGLGSGAVLSMIPVKSGTLIDKLMFQGTPGDARGVLIVVSATMITTIGIVFSLTVLSLQIASSQFSVRLLRTFLRDVPNQVVLAIFACTFAYSTGGLHTVGEHRDGGAFIPKVAVTGSLALAFVSIAALIYFLHHLMHSIQIDTIMDKVRLRTLGLVDQLYPESDTADRQVETPPSPPADAVPLLAPHSGYLQTVDVDDIAELAAASRYTALLVTFVGDYVTAGGLLGWCWRRGTAPGAPGSDFPQRCLRHVHIGFERTLQQDIRFGLRQMVDIALRALSPALNDPYTAIQVVHHLSAVESVLASRALPDDVRRDRAGELLFWLPYPSFATYLHVGCAQIRRYGSREPLVLTALLQLLSAVAQNCVDPSRRVAVQTQIALVVRAAQREFADESDRAMVLGAAARATEVVERPGTLAPPPSTFGQVAAAQAAASTIRSADRDG
Prediction	CCCCCCCCCCCCHCCCHHHHHHHHHHCCCCCCCEEEEHCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCEEEEHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCEEEHCCCCCEEEEHCHHHHHHHHHHHCCEEEEEHCCCEEHCCCEEEEEEEHCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCEEHCCCCCEEEEHCCCCHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCC
Conf.Score	98766777775444445556677665455666557875788776555546688999999999999999779999999999999999999988765666554444578899999999999999999999999999999999856675899999978757899999999999999999985688888757636889999999999999999999999987589999999999999999999875567777778888888885899768997789867999999999979899999779857759978999996888887655799999999765468777555889999999999999977888997589999999999999998667888756668996799976899999999999999998667989999999999999998799999999999999999999997899999999999999999999856667888755555445555555545577789
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MLQRSLGVNGRKLAMSARSAKRERKNASTAASKCYVVPPSARGWVHAYSVTATSMLNRRKAILDYLQGAVWVLPTFGVAIGLGSGAVLSMIPVKSGTLIDKLMFQGTPGDARGVLIVVSATMITTIGIVFSLTVLSLQIASSQFSVRLLRTFLRDVPNQVVLAIFACTFAYSTGGLHTVGEHRDGGAFIPKVAVTGSLALAFVSIAALIYFLHHLMHSIQIDTIMDKVRLRTLGLVDQLYPESDTADRQVETPPSPPADAVPLLAPHSGYLQTVDVDDIAELAAASRYTALLVTFVGDYVTAGGLLGWCWRRGTAPGAPGSDFPQRCLRHVHIGFERTLQQDIRFGLRQMVDIALRALSPALNDPYTAIQVVHHLSAVESVLASRALPDDVRRDRAGELLFWLPYPSFATYLHVGCAQIRRYGSREPLVLTALLQLLSAVAQNCVDPSRRVAVQTQIALVVRAAQREFADESDRAMVLGAAARATEVVERPGTLAPPPSTFGQVAAAQAAASTIRSADRDG
Prediction	72343132413300230442445455143003200000023301110222113301410330043013200020001001022102000001221322033101324261032001000111101002210000000000011000100210142420000000000011100000000334444210000001320322122021000000010032020230033025202510461164444664435336533541120205410000101162025105726020101020021024410001002445465444550152024002004411242002000210010011000002101200020021002000300626345421326642000101402032002100210031034002003100400320061044751150025004201510463053640153025105302610644452141444024125252224203314568
	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

CCCCCCCCCCCCHCCCHHHHHHHHHHCCCCCCCEEEEHCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCEEEEHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCEEEHCCCCCEEEEHCHHHHHHHHHHHCCEEEEEHCCCEEHCCCEEEEEEEHCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCEEHCCCCCEEEEHCCCCHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCC
MLQRSLGVNGRKLAMSARSAKRERKNASTAASKCYVVPPSARGWVHAYSVTATSMLNRRKAILDYLQGAVWVLPTFGVAIGLGSGAVLSMIPVKSGTLIDKLMFQGTPGDARGVLIVVSATMITTIGIVFSLTVLSLQIASSQFSVRLLRTFLRDVPNQVVLAIFACTFAYSTGGLHTVGEHRDGGAFIPKVAVTGSLALAFVSIAALIYFLHHLMHSIQIDTIMDKVRLRTLGLVDQLYPESDTADRQVETPPSPPADAVPLLAPHSGYLQTVDVDDIAELAAASRYTALLVTFVGDYVTAGGLLGWCWRRGTAPGAPGSDFPQRCLRHVHIGFERTLQQDIRFGLRQMVDIALRALSPALNDPYTAIQVVHHLSAVESVLASRALPDDVRRDRAGELLFWLPYPSFATYLHVGCAQIRRYGSREPLVLTALLQLLSAVAQNCVDPSRRVAVQTQIALVVRAAQREFADESDRAMVLGAAARATEVVERPGTLAPPPSTFGQVAAAQAAASTIRSADRDG

4xriA

0.11

0.95

0.91

MUSTER

LANESSEGHIRAAAFSAREFARQAALQAKWLNQTRVKQLALETLASPNSKAGQAAAQVIAAIAAIELPR-ELMHALVRNASEGGQHQKQASLTAIGFICETQLRNSLVGHSNAILTAVVQGANEVRFAAITALGDSLEFVGNNFIMQVVCEATQAQDSRIQQGAFGCLNRIMALYYEHMRYYMEKALFGLTILGMKSEDVAKLAVEFWSTVCEEEIAIEPFYNFARVATNEVVPVLLQLLTKQDEDASDDEYNISRAYQCLQLYAQAVG--STI-IPPVIQFVEHNLRHADWHFRDAAVSA----FGAIMDGPEEKEPIVKTGMQPLIAMMEDESIQVRDS-TAYALGRITEACSEAIDP-MNSPKMAASCCWALMNIAERFAGEPGAAQNPLTP-----------HFNQSVTNLLTVTAPM-NGDSTVRTAAYEVLSVFVQNAA-NDSLSAVASLSTVILQRLEETLVSVEDKLILEDMQTSLCTVLQATVQRLD--KEIAPQRIMQVLLQILSTCGGKS

4k6jA

0.08

0.07

0.89

0.80

dPPAS

DVVEF-GENQEFTDD-IEYLLSGLKSTQPLNTRCLSVISLATKCAMPSFRMHLRAHGMVAMVFKTLDDSQHHQNLSLCTAALMYILSRASLDLMIRLLELEQLNEKDMNKIKEKIRRLCETVHNLDLENITTGHLAMETLLSLTSKRAGDWFKE---ELRLLGGLDHIVDKVKECVDHLSRDEDEEKLVASLWGAERCLRVLESVTVHNPENQSYLIAYKDSQLIVSSAKALQHCEELIQQYNRAEDSICLADSKPLPHQNVTNHVG--------KAVEDCMRAIIGVLLNLTNDN----------EWGSTKTGEQDGLIGTALNCVLQVPKYLP-----------QEQRFDIRVLGL-------GLLINLVEYSARNRHCLVNMETSCQVHAVQ----ALVQLFLERERAAQLAESKTDELIKDNKALQHAGKHMEDCIVASY--TALLLGCLCQESPINVTTVREYLPEGDFSIMTEMLKKFLSFMNLTCAVGT--------TGQKSISRVIEYLEHC-

5ic0A

0.12

0.09

0.79

wdPPAS

--HMA----GQK-ALQLETVRELLENPVQPIND--VMENSKV------GEAMTGISQNAKN-LPEFGDAIATASKALCGFTEAAAQAAYLVGVSDPNSQAGQQGLVEPTQFARANQAIQMACQSLGQAQVLSAATIVAKHTSALSCRLASARTANPTAKRQFVQSAKEVANSTANLVKIKALDGDFTEENRAQCRAATAPLLEAVDNLSAFASFSSVPAQISPEGRAAMEPIVISAKTMLES---------------------------------AGGLIQTARAL----------------------------AVNPRDPPRWSVLAGHSRT---------VSDSIKKLITSMRDK--PGQLECETAIAALNSCLRDLDQASLAAVSQQLAPREGISQEALHTQMTAVQEISHLIEPLASAARAEAQYFEPLTLAAVGAASKTLSHPQQMALLDQTKTLAESALQLLQAAHTQEALEEAVQMMTEAVED-------------TTTLNEAAS---------

1b3uA

0.09

0.08

0.93

0.88

wMUSTER

TIALALGVERTRLPFLTDTIYDEDEVLLALAEQLCLLPPLESLATVEETVVRDKAVESLRAISHEH-SPSDLEAHFVPLVKRLAG---FTSRTSACGLFSVCYPRVSSAVKAELRQYFRNLCSDDTPMVRRAAASKLGEFAKVLELDNVKSEIIPMFSNLA-DSVRLLAVEACVNIAQLLPQEDEALVMPTLRQAAEWRVRYMVADKFTELQKAVGPEITKTDLVPAFQNLMKAEVRAAASHKVKEFCENLSADCRENV----------IMSQI-LPCIKELVSDANQHVKSALA--------SVIMGLSPI--GKDNTIEHLLPLFLAQLKDECPSNLDC-EVIGIRQLSQSLLPAIVELAEDARVRLAIIEYMPLLAGQLGVEFFDEKLNVDHVYAIR-LVEKFGKEWAHATIIPKVLAMSGDNYLHRMTTLFCINVLSEVCGQDITTKHMLPTVLRMAGD-----PVANVRFNVAKSLQKIGPILDNSSEVKPILEKLTQKYFAQEALTVLSLA----

4k6jA

0.15

0.12

0.80

0.77

wPPAS

DVVEF-GENQE-LGLKSTQPLNTRCLS---ATKC-----AMPSFRM--HLRAHGMVAMVFKTLDDSQH-----QNLSLCTAALMYILSMDLDRASLDLMIRLLEQLNKEKIRRLCETVHNKHLDLENI--TTGHLAMETLLSLTSKRAGDWFKEELRLLGGLDHIVDKVKECVDHLSR----DEDEEKLVASLWGAERCLRVLESVTVPENQSYLIAY-KDSQLIVSSAKALQHCEELIQQYNRAEDSICLADSKPLPHQNVTN----------HVGKAVEDCMRAIIGVLL-------LTNDNEWG-----GEQDG-----LIGTALNCVLQVPKYLP-------QEQRFDIRVLGLG--INSAHCLVNAVQALVQLFLERERAAQLAE----------------SKTDELIKDNKALQHAGKEDCIVASYTALLLGCLCQE--SPINVTTVREYL-------------EGDFSIMTEMLKKFLSFMNLTCAVG---------TTGQKSISRV---EHC-

5ic0A

0.12

0.10

0.80

0.91

dPPAS2

LENPVQPINDMSYFGCLDSVMENSKVLGEAMT----------------GISQNAKNGNLPEFGDAIATASKALCGFTEAAAQAAYLVGVSDPNSQAGQQGLVEPTQFARANQAIQMACQSLGCTQAQVLSAATIVAKHTSALCNSCRLASARTANPTAKRQFVQSAKEVANSTANLVKTIKALDGD---FTEENRAQCRAATAPLLEAVDNLSAFASNPEFSSVPAQISPEGRAAMEPIVISAKTMLES--------------------------AGGLIQTARAL----------------------------AVNPRDPPRWSVLAGHSRT---------VSDSIKKLITSMRDKA-PGQLECETAIAALNSCLRDLDQASLAAVQQLAPREGISQEALHTQMLTAVQEISHLIEPLASAARAEAQYFEPLTLAAVGAASKTLSHPQQMALLDQTKTLAESALQLLQAAHTQEALEEAVQMMTEAVED------------LTTTLNEAAS---------

4k6jA

0.11

0.09

0.86

1.03

PPAS

DVVEF-GENQEFTGLKSTQPLNTRCLSVISATKC-----AMPSFRM--HLRAHGMVAMVFKTLDDSQHHQNLSLCTAALMYILSRASLDLMIRLLELEQLNKDMNKIKEKIRRLCETVHNKHLDLENI--TTGHLAMETLLSLTSKRAGDWFKEELRLLGGLDHIVDKVKECVDHLSR----DEDEEKLVASLWGAERCLRVLESVTVHNPENQSYLIAYKDSQLIVSSAKALQHCEELIQQYNRAEDSICLADSKPLPHQNVTNHVGKAVEDCMRAIIGVLLNLTNDNEWGSTKTGE-----------------QDGLIGTALNCVLQVPKY-----LPQEQRFDIRVLGLGLLINL---VEYSARNRHCLVNMVHAVQALVQL--------------------LERERAAQLAESKTDELIKDNKALQHAGKHMEDCIVAS---ALLLGCLCQESPINVTTVREYLP-EGDFSIMTEMLKKFLSFMNLTCAVGT--------TGQKSISRVIEYLEHC-

1brwA2

0.15

0.09

0.61

0.94

Env-PPAS

MLDLS-SIRGVKV-----------DKHSTASVGVPVAKMSGRGLGHTGG-TIDKLESSKDEFIRLVNENIILTPADKKLYALRDVTAT--VNS-IPLIASSIMSKKIAAGADAIVLDVAGAFMKKLDEARRLARVMVDIGKRVG--RRTMAVISDMS--QPLGYAVGNALEVKEAIETLKGNGPH----DLTELCLTLGSHMVYLAEKAPSLDEARRL--LEEAIRSG--AAIAAFKTFLAAQGGDASVVDDLDKLPKAASTVTAAADGYVAEMAADDIGTAAMWLAVGIVLHKKIGDRVQKGEALATIHSNRPDV----LDVKEKIEAAIRLSPQPVARPPL------IYETIV----------------------------------------------------------------------------------------------------------------------------------------------------------------------

3w3tA

0.10

0.99

0.90

MUSTER

LDRVALKLGGEYLAAPLFQYLQQMITSTEAAEGCKILDMVIPLINDGCCNVLGQISTDFSPFIQRTAHDRILPALISKLTSRVQTHAAAALVNFSEFASKDILEPYLDSLLTNLLVLLQLYVQEQALTTIAFIAEAAKNKFIKYYDTLMPLLLN--VLKVNSVLKGKCMECATLIGFAVGKEKFHEHSQELISILVALQNSDALRSYLEQSWSRICRILDFVPLLPIVIPPLLITAK--ATQDVGLIEEEEAANFQQYPDWDVVQVQGKHIAIHTMELLQSYATLLRGQFAALPSLDFYLHDGTLIPILLSCLLAATEELVLLWHKASSKLIGGLMSEPMPEITQVYHNSLVNGIKVMGDNCLSEDQLAAFTKGVSANLTDTYERMQDRDEYNEFTDEDLLDTTNGHYLKNLENIWPMINTFLLDEPILVIFALVVIGDLIQYEQTNAFIPKVTECLARIRQAASYIIGVQYAPSTYADVCIPTLDTLVQIVDGSKLEENRSSTENASAAIAKILYA-YDT

5aymA

0.10

0.08

0.76

0.74

dPPAS

-------------------------------------------LRIETQLLLGRLLTRSGDQAWDFVVPFALLVIFPLQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVRAGGRESWLLSVLFIAL--ALSGVMASLGSQITDISVGNDLAPSLVAPEKLTHFNSWLRRIDLATEVGAPILAGALFPLAGLFLIGLWNLVSFVPEYFLLRNVIQRSGLKIKVLGSFSDPI-----------------FWLILSYALLW--------------------------LSVLSPHGVLLAAYLKDEMRLP-----------------ETEIGLF-------RGLGAVFGLISTVSFPYLVRRL---------GLISSSRWHLGFQGVTLGIAVTAFAMGSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSL--SSLTTTSATLILFSAGSLLPQTEDFKYLVYVSLAAVLLANVVFIKWSSR--

(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=-3.22

Estimated TM-score = 0.35±0.12

Estimated RMSD = 15.5±3.3Å

Download Model 2

C-score=-2.87

Download Model 3

C-score=-2.96

Download Model 4

C-score=-4.58

Download Model 5

C-score=-5.00

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	4k6jA	0.832	2.39	0.080	0.892
2	3javA	0.601	5.19	0.045	0.772
3	4hm9A	0.595	4.67	0.051	0.737
4	3c2hB	0.567	4.18	0.077	0.683
5	3gq2A	0.551	4.69	0.079	0.693
6	2qj0A	0.550	5.81	0.056	0.760
7	5hb4B	0.543	6.08	0.052	0.756
8	4gmnA	0.541	5.75	0.076	0.743
9	3ea5B	0.540	4.56	0.080	0.668
10	1u6gC	0.531	4.46	0.059	0.653

(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	0.08	4	4oihA	III	Rep, Mult	141,146,200,204,206,207,208,209,213,284,287,291,294,295,365,370,373,444,449,453,513
2	0.04	2	1th1A	III	Rep, Mult	81,84,138,141,142,144,196,197,200,204,207,213,278,280,283,284,287,350,352,440
3	0.04	2	3qheC	III	Rep, Mult	141,142,145,146,153,196,197,203,204,206,207,208,287,290,291,294,295,310,369,370,507
4	0.04	2	2bptA	III	Rep, Mult	92,93,154,159,160,161,162,163,165,166,167,212,215,216
5	0.04	2	2q69A	CA	Rep, Mult	178,179,180
6	0.04	2	4d49A	III	Rep, Mult	145,200,204,207,208,209,210,213,287,291,293,294,295,296,297,356,365,370,372,373,374,375,376,379,449,453,456,457
7	0.04	2	1q1sC	III	Rep, Mult	42,44,45,46,50,81,84,85,135,138,142,145
8	0.02	1	1jpwB	III	Rep, Mult	137,196,197,200,203,204,278,280,284,287,352,440
9	0.02	1	3g1fC	2OM	Rep, Mult	364,367
10	0.02	1	2xo6D	NUC	Rep, Mult	152,159
11	0.02	1	2f7tA	MG	Rep, Mult	342,394
12	0.02	1	1bk6B	III	Rep, Mult	145,153,200,204,207,284,287
13	0.02	1	1w8qC	CO	Rep, Mult	208,214
14	0.02	1	1uo4B	PIH	Rep, Mult	419,423
15	0.02	1	1biuB	MG	Rep, Mult	275,342
16	0.02	1	1g20B	SF4	Rep, Mult	161,162

	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	1hn0A	0.413	6.78	0.049	0.618	4.2.2.20	NA
2	0.060	3h09B	0.378	7.14	0.041	0.593	3.4.21.72	218
3	0.060	1ug9A	0.412	6.55	0.065	0.607	3.2.1.70	NA
4	0.060	1rw9A	0.379	6.42	0.058	0.560	4.2.2.5	NA
5	0.060	3ebgA	0.400	6.46	0.078	0.591	3.4.11.-	NA
6	0.060	2jg0A	0.358	7.16	0.050	0.570	3.2.1.28	227
7	0.060	1d8dA	0.371	5.83	0.058	0.512	2.5.1.58	NA
8	0.060	3dpyA	0.371	5.77	0.051	0.512	2.5.1.58,2.5.1.59	63
9	0.060	2ow6A	0.357	7.77	0.054	0.593	3.2.1.114	226
10	0.060	1i8qA	0.360	8.00	0.046	0.622	4.2.2.1	NA
11	0.060	1dboA	0.357	7.23	0.046	0.568	4.2.2.19	NA
12	0.060	2np0A	0.370	7.86	0.041	0.637	3.4.24.69	NA
13	0.060	1l2aE	0.367	6.66	0.036	0.547	3.2.1.4	NA
14	0.060	3c5wA	0.332	4.19	0.047	0.405	3.1.3.16	NA
15	0.060	2olsA	0.356	7.71	0.057	0.599	2.7.9.2	444
16	0.060	1z1wA	0.397	6.80	0.036	0.605	3.4.11.-	288
17	0.060	2f6dA	0.361	6.87	0.050	0.557	3.2.1.3	NA
18	0.060	2vuaA	0.225	7.85	0.029	0.380	3.4.24.69	101
19	0.060	2q1fA	0.406	6.59	0.061	0.607	4.2.2.21	168

(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	0.24	0.832	2.39	0.08	0.89	4k6jA	GO:0000775 GO:0000785 GO:0000795 GO:0000798 GO:0005634 GO:0005654 GO:0005694 GO:0005737 GO:0005829 GO:0007049 GO:0007062 GO:0007064 GO:0007067 GO:0008156 GO:0008278 GO:0009636 GO:0015630 GO:0016032 GO:0035562 GO:0043231 GO:0045132 GO:0045875 GO:0048146 GO:0051301 GO:0051983 GO:0060623 GO:0071168 GO:0071922
1	0.15	0.783	2.45	0.08	0.84	4k6jB	GO:0000775 GO:0000785 GO:0000795 GO:0000798 GO:0005634 GO:0005654 GO:0005694 GO:0005737 GO:0005829 GO:0007049 GO:0007062 GO:0007064 GO:0007067 GO:0008156 GO:0008278 GO:0009636 GO:0015630 GO:0016032 GO:0035562 GO:0043231 GO:0045132 GO:0045875 GO:0048146 GO:0051301 GO:0051983 GO:0060623 GO:0071168 GO:0071922
2	0.07	0.520	4.44	0.07	0.65	1xm9A	GO:0004871 GO:0005521 GO:0005634 GO:0005654 GO:0005882 GO:0005886 GO:0007155 GO:0007165 GO:0007275 GO:0016337 GO:0019215 GO:0030054 GO:0030057 GO:0030280 GO:0043231 GO:0045110 GO:0070062
3	0.07	0.527	4.43	0.07	0.65	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
4	0.07	0.503	3.76	0.08	0.59	4rxhB	GO:0005634 GO:0005737 GO:0006606 GO:0006810 GO:0008565 GO:0015031
5	0.07	0.499	4.26	0.08	0.61	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
6	0.07	0.500	4.06	0.10	0.60	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
7	0.07	0.502	4.20	0.07	0.61	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
8	0.07	0.493	4.11	0.07	0.60	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	0.07	0.485	5.12	0.08	0.63	3zikA	GO:0000798 GO:0007064 GO:0034183 GO:0045132 GO:0060623 GO:0071922 GO:1902340
10	0.06	0.283	7.35	0.03	0.45	4uwaA	GO:0003151 GO:0005216 GO:0005219 GO:0005245 GO:0005262 GO:0005509 GO:0005516 GO:0006810 GO:0006811 GO:0006816 GO:0006874 GO:0006936 GO:0007275 GO:0014802 GO:0014808 GO:0015278 GO:0015643 GO:0016020 GO:0016021 GO:0016529 GO:0033017 GO:0042802 GO:0043588 GO:0043931 GO:0044325 GO:0048741 GO:0055085 GO:0070588 GO:0071313
11	0.06	0.277	6.73	0.04	0.42	4jkqA	GO:0001666 GO:0002027 GO:0003143 GO:0003220 GO:0003300 GO:0005216 GO:0005219 GO:0005262 GO:0005509 GO:0005513 GO:0005516 GO:0005790 GO:0005886 GO:0006810 GO:0006811 GO:0006816 GO:0006874 GO:0007275 GO:0010460 GO:0010881 GO:0010882 GO:0014701 GO:0014808 GO:0014850 GO:0015278 GO:0016020 GO:0016021 GO:0016529 GO:0019722 GO:0019899 GO:0019901 GO:0030017 GO:0030018 GO:0030509 GO:0031000 GO:0033017 GO:0034220 GO:0034236 GO:0034237 GO:0034704 GO:0035584 GO:0035994 GO:0042802 GO:0043234 GO:0043621 GO:0043924 GO:0044325 GO:0048763 GO:0051209 GO:0051284 GO:0051480 GO:0051775 GO:0055085 GO:0055117 GO:0060048 GO:0060070 GO:0060401 GO:0060402 GO:0070062 GO:0070296 GO:0070588 GO:0071313 GO:0071872 GO:0072599 GO:0086005 GO:0086029 GO:0086064 GO:0097050 GO:0097159 GO:0098735 GO:0098904 GO:0098907 GO:0098910 GO:0098911 GO:1901896 GO:1903779
12	0.06	0.276	7.71	0.04	0.46	3a9vA	GO:0000166 GO:0003824 GO:0008152 GO:0016874
13	0.06	0.277	7.03	0.03	0.43	3rawA	GO:0000166 GO:0001669 GO:0004672 GO:0004674 GO:0004712 GO:0004713 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0006468 GO:0016020 GO:0016301 GO:0016310 GO:0016607 GO:0016740 GO:0018108 GO:0031410 GO:0043484 GO:0044822 GO:0045111 GO:0046777
14	0.06	0.277	7.23	0.03	0.44	4i7iA	GO:0003151 GO:0005216 GO:0005219 GO:0005245 GO:0005262 GO:0005509 GO:0005516 GO:0006810 GO:0006811 GO:0006816 GO:0006874 GO:0006936 GO:0007275 GO:0014802 GO:0014808 GO:0015278 GO:0015643 GO:0016020 GO:0016021 GO:0016529 GO:0033017 GO:0042802 GO:0043588 GO:0043931 GO:0044325 GO:0048741 GO:0055085 GO:0070588 GO:0071313
15	0.06	0.273	6.63	0.03	0.41	4l4iA	GO:0001666 GO:0002027 GO:0003143 GO:0003220 GO:0003300 GO:0005216 GO:0005219 GO:0005262 GO:0005509 GO:0005513 GO:0005516 GO:0005790 GO:0006810 GO:0006811 GO:0006816 GO:0006874 GO:0007275 GO:0010460 GO:0010881 GO:0010882 GO:0014808 GO:0014850 GO:0015278 GO:0016020 GO:0016021 GO:0016529 GO:0019722 GO:0019899 GO:0019901 GO:0030017 GO:0030018 GO:0030509 GO:0031000 GO:0033017 GO:0034236 GO:0034237 GO:0034704 GO:0035584 GO:0035994 GO:0042802 GO:0043234 GO:0043621 GO:0043924 GO:0048763 GO:0051209 GO:0051284 GO:0051775 GO:0055085 GO:0055117 GO:0060048 GO:0060070 GO:0060401 GO:0060402 GO:0070062 GO:0070588 GO:0071313 GO:0071872 GO:0072599 GO:0086005 GO:0086029 GO:0097050 GO:0097159 GO:0098735 GO:0098904 GO:0098907 GO:0098910 GO:0098911 GO:1901896
16	0.06	0.246	7.83	0.03	0.41	4mjwA	GO:0000166 GO:0016491 GO:0016614 GO:0019285 GO:0033713 GO:0050660 GO:0055114
17	0.06	0.255	6.24	0.06	0.37	3uj0A	GO:0005216 GO:0005220 GO:0005262 GO:0005635 GO:0005737 GO:0005783 GO:0005789 GO:0005886 GO:0006810 GO:0006811 GO:0006816 GO:0006915 GO:0007165 GO:0007202 GO:0007204 GO:0007223 GO:0008022 GO:0014069 GO:0015278 GO:0016020 GO:0016021 GO:0016529 GO:0019903 GO:0030425 GO:0030667 GO:0032403 GO:0035091 GO:0038095 GO:0038096 GO:0043025 GO:0043231 GO:0043234 GO:0045121 GO:0048016 GO:0048471 GO:0050796 GO:0051209 GO:0051928 GO:0055085 GO:0070059 GO:0070588 GO:0071320 GO:0071456 GO:0097060 GO:1901215 GO:1903779
18	0.06	0.214	6.91	0.04	0.33	1ki1B	GO:0005085 GO:0005089 GO:0005509 GO:0005829 GO:0005886 GO:0005905 GO:0006897 GO:0007264 GO:0012505 GO:0016020 GO:0019209 GO:0030027 GO:0030054 GO:0030139 GO:0032947 GO:0035023 GO:0035556 GO:0042327 GO:0042995 GO:0043005 GO:0043065 GO:0043524 GO:0043547 GO:0045202 GO:0046872 GO:0048013 GO:0048488 GO:0051056 GO:0051897 GO:0070064
19	0.06	0.217	6.40	0.03	0.32	1zh8A	GO:0000166 GO:0008152 GO:0016491 GO:0055114
20	0.06	0.233	6.91	0.05	0.36	3tuzC	GO:0000166 GO:0003333 GO:0005524 GO:0005886 GO:0006810 GO:0006865 GO:0009276 GO:0015424 GO:0015821 GO:0016020 GO:0016787 GO:0016887 GO:0042626 GO:0043190 GO:0048473 GO:0048474 GO:0055085
21	0.06	0.214	6.07	0.07	0.31	4i96A	GO:0003151 GO:0005216 GO:0005219 GO:0005245 GO:0005262 GO:0005509 GO:0005516 GO:0006810 GO:0006811 GO:0006816 GO:0006874 GO:0006936 GO:0007275 GO:0014802 GO:0014808 GO:0015278 GO:0015643 GO:0016020 GO:0016021 GO:0016529 GO:0033017 GO:0042802 GO:0043588 GO:0043931 GO:0044325 GO:0048741 GO:0055085 GO:0070588 GO:0071313
22	0.06	0.211	6.58	0.04	0.31	2wsiA	GO:0000166 GO:0003824 GO:0003919 GO:0005524 GO:0005737 GO:0006747 GO:0008152 GO:0016740 GO:0016779
23	0.06	0.209	5.95	0.06	0.29	2izpA	GO:0005576 GO:0009405
24	0.06	0.195	7.00	0.03	0.31	3fzvB	GO:0003677 GO:0003700 GO:0006351 GO:0006355
25	0.06	0.249	5.93	0.08	0.35	1n4kA	GO:0001666 GO:0005216 GO:0005220 GO:0005262 GO:0005635 GO:0005637 GO:0005730 GO:0005737 GO:0005783 GO:0005789 GO:0005955 GO:0006810 GO:0006811 GO:0006816 GO:0006915 GO:0009791 GO:0014069 GO:0015278 GO:0016020 GO:0016021 GO:0016529 GO:0019855 GO:0031088 GO:0031094 GO:0032469 GO:0035091 GO:0042045 GO:0043234 GO:0048016 GO:0050849 GO:0050882 GO:0051209 GO:0055085 GO:0070059 GO:0070588

Consensus prediction of GO terms

Molecular Function	GO:0004871	GO:0005102	GO:0008565	GO:0098641	GO:0005521	GO:0030280	GO:0019215	GO:0019901
GO-Score	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07
Biological Processes	GO:0009636	GO:0016032	GO:0045875	GO:0060623	GO:0048146	GO:0008156	GO:0051301	GO:0035562	GO:0071922	GO:0045132	GO:0007064
GO-Score	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35
Cellular Component	GO:0005829	GO:0005654	GO:0000795	GO:0000775	GO:0000798	GO:0000785	GO:0015630
GO-Score	0.40	0.40	0.35	0.35	0.35	0.35	0.35

(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.