I-TASSER results

I-TASSER results for job id Rv2797c

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

Input Sequence in FASTA format

>protein (562 residues)
MPLTVADIDRWNAQAVREVFHAASARAEVTFEASRQLAALSIFANSGGKTAEAAAHHNAG
IRRDLDAHGNEALAVARAADRAADGIVKVQSELAALRHAAAAAELTIDALINRVVPIPGL
RSTEAQWARTLAKQTELQAELDAIMAEANAVDEELASAVNMADGDAPIPADSGPPVGPEG
LTPTQLASDANEERLREERARLQAHLERLQAEYDQLSVRAARDYHNGILDGDAVGRLAAL
TDELSAARGRLGELDAVDEALSRAPETYLTQLQIPEDPNQQVLAAVAVGNPDTAANVSVT
VPGVGSTTRGALPGMVTEARDLRSEVIRQLNAAGKPASVATIAWMGYHPPPNPLDTGSAG
DLWQTMTDGQAHAGAADLSRYLQQVRANNPSGHLTVLGHSYGSLTASLALQDLDAQSAHP
VNDVVFYGSPGLELYSPAQLGLDHGHAYVMQAPHDLITNLVAPLAPLHGWGLDPYLTPGF
TELSSQAGFDPGGIWRDGVYAHGDYPRSFLDAAGQPQLRMSGYNLAAIAAGLPDNTVGPP
LLPPILGGGMPAAPGPALRGGR

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MPLTVADIDRWNAQAVREVFHAASARAEVTFEASRQLAALSIFANSGGKTAEAAAHHNAGIRRDLDAHGNEALAVARAADRAADGIVKVQSELAALRHAAAAAELTIDALINRVVPIPGLRSTEAQWARTLAKQTELQAELDAIMAEANAVDEELASAVNMADGDAPIPADSGPPVGPEGLTPTQLASDANEERLREERARLQAHLERLQAEYDQLSVRAARDYHNGILDGDAVGRLAALTDELSAARGRLGELDAVDEALSRAPETYLTQLQIPEDPNQQVLAAVAVGNPDTAANVSVTVPGVGSTTRGALPGMVTEARDLRSEVIRQLNAAGKPASVATIAWMGYHPPPNPLDTGSAGDLWQTMTDGQAHAGAADLSRYLQQVRANNPSGHLTVLGHSYGSLTASLALQDLDAQSAHPVNDVVFYGSPGLELYSPAQLGLDHGHAYVMQAPHDLITNLVAPLAPLHGWGLDPYLTPGFTELSSQAGFDPGGIWRDGVYAHGDYPRSFLDAAGQPQLRMSGYNLAAIAAGLPDNTVGPPLLPPILGGGMPAAPGPALRGGR
Prediction	CCCCHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCEEHCCCCEEHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHCCCCCCCCCEEEEEEHCCCCCCCEEEEHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCEEEEEEHCCCCCCCCCCCCCCCCCHHHCCHHHHHHHHHHHHHHHHHHHHCCCCCCEEEEEHCCHHHHHHHHHHHCCCCCCCCCCEEEEHCCCCCCCCCHHHCCCCCCCEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	9988999987899999999999999999999999999998755556677999999999999999999999999999999999999999999999999999987968856776665678888887899999999877999999999999998999999988876556666677766665555557777777877778899999998756655566666666777776666678999999999999999999987677778877578765455445778888757888757855577579995898887555555678999999999999999878899869999968999998877777776555569789999989999999999876899978999986558899999987588888864368887489889999888599988589875799865445676778788899988888866655687888888877887776667888888777775555678899998688887778888887778887778876666789
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MPLTVADIDRWNAQAVREVFHAASARAEVTFEASRQLAALSIFANSGGKTAEAAAHHNAGIRRDLDAHGNEALAVARAADRAADGIVKVQSELAALRHAAAAAELTIDALINRVVPIPGLRSTEAQWARTLAKQTELQAELDAIMAEANAVDEELASAVNMADGDAPIPADSGPPVGPEGLTPTQLASDANEERLREERARLQAHLERLQAEYDQLSVRAARDYHNGILDGDAVGRLAALTDELSAARGRLGELDAVDEALSRAPETYLTQLQIPEDPNQQVLAAVAVGNPDTAANVSVTVPGVGSTTRGALPGMVTEARDLRSEVIRQLNAAGKPASVATIAWMGYHPPPNPLDTGSAGDLWQTMTDGQAHAGAADLSRYLQQVRANNPSGHLTVLGHSYGSLTASLALQDLDAQSAHPVNDVVFYGSPGLELYSPAQLGLDHGHAYVMQAPHDLITNLVAPLAPLHGWGLDPYLTPGFTELSSQAGFDPGGIWRDGVYAHGDYPRSFLDAAGQPQLRMSGYNLAAIAAGLPDNTVGPPLLPPILGGGMPAAPGPALRGGR
Prediction	6413142045042630340053045315404511540472254352424004103521451354045015304402510440151044025204502530562423023323312324424244443342345244134303500530440143014104323342334244342333432233323221332212331330353165144424224332233234222344224314424531540353055143334314444522222020243333302222011314305300010111203034314411431440142024224434454300000000000022224434322222002232045005303500510312355020000000000000010023244432110000000000000053153051541100002033000320121202212002003324203202122112231232421300010023234444443232001100000012344124674142334432423332136458
	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                 540                 560

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

Sec.Str
Seq

CCCCHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCEEHCCCCEEHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHCCCCCCCCCEEEEEEHCCCCCCCEEEEHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCEEEEEEHCCCCCCCCCCCCCCCCCHHHCCHHHHHHHHHHHHHHHHHHHHCCCCCCEEEEEHCCHHHHHHHHHHHCCCCCCCCCCEEEEHCCCCCCCCCHHHCCCCCCCEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MPLTVADIDRWNAQAVREVFHAASARAEVTFEASRQLAALSIFANSGGKTAEAAAHHNAGIRRDLDAHGNEALAVARAADRAADGIVKVQSELAALRHAAAAAELTIDALINRVVPIPGLRSTEAQWARTLAKQTELQAELDAIMAEANAVDEELASAVNMADGDAPIPADSGPPVGPEGLTPTQLASDANEERLREERARLQAHLERLQAEYDQLSVRAARDYHNGILDGDAVGRLAALTDELSAARGRLGELDAVDEALSRAPETYLTQLQIPEDPNQQVLAAVAVGNPDTAANVSVTVPGVGSTTRGALPGMVTEARDLRSEVIRQLNAAGKPASVATIAWMGYHPPPNPLDTGSAGDLWQTMTDGQAHAGAADLSRYLQQVRANNPSGHLTVLGHSYGSLTASLALQDLDAQSAHPVNDVVFYGSPGLELYSPAQLGLDHGHAYVMQAPHDLITNLVAPLAPLHGWGLDPYLTPGFTELSSQAGFDPGGIWRDGVYAHGDYPRSFLDAAGQPQLRMSGYNLAAIAAGLPDNTVGPPLLPPILGGGMPAAPGPALRGGR

3ajaA

0.16

0.06

0.38

1.04

wPPAS

------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AD---PDVMMVSIPGTWSSPTDDPFNPTQFPLSLMSNISKPLAEQFGPDRLQVYT--PY--TAQFHNPFAADK--QMSYNDSRAEGMRTTVKAMTDMNDRCPLTSYVIAGFSQGAVIAGDIASDIGNGRGVDEDGVTLIADGGPNPAGLSALGLTDNRTNQICGSGDLI---------------SPEQAFSVFNLPKT---------LETLSGHALY---NTPQFWVENGQTATQWTLEWARN--------------------NAPHP------

5cwqA

0.11

0.05

0.41

1.17

dPPAS2

----------------EELERESEEAERRLQEARKRSEEARERGD---LKELAEALIEEARAVQELARVACERGNSEEAERASEKAQRVLEEARKVSEEAREQG-----------------DDEVLALALIAIALAVLALAEVACCRGNSEEAERASEKAQRVLEEARKVSEEAREQGDDEVLALALIAIALAVLALAEVACCRGNKEEAERAYEDARRVEEEARKVKESAEEQGDSEVKRLAEEAEQLAREARRHVQECRGGWLEHHH-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

1ji6A

0.07

0.06

0.94

1.12

Env-PPAS

ISVVGQILGVVGVPFAGALTSFYQSFLNTIADPWKAFMAQVEVKKIEEYAKSKALAELQGLQNNFEDYVNALNSWKKTPLSLKRSQDRIRELFSQAESHFRNSMPSFAVSKFEVLFLPTYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHRQLKLTQQYTDHCVNWYNVGLNGLRGSTYDAWVKFNRFRREMTLTVLDLIVLFPFYDIRLYSKGVKTELTRDIFTDPIFSLNTLQEYGPTFLSIENSLQGIEFHTRLQPGYFGKDSYVETRPSIGSSKTITSPFYGDKSTEPVQKLSFDGQKTIANTDVAAWPNGKVYLGVTKVDFSQYDDQKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQDRRGTIPFFTWTHRSTIDAEKITQLPVAYALSSGASIIEG-PGFTGGNLLFLKESSNSIAKFKVTLNSAALLTTNLRLFVQNSNND-----FLVIYINKTMNKDDDLTYQTFDLATTNSNMGFSGDKNELIIGAESF----VSNEKQL--------------------------

5cwmA

0.12

0.05

0.40

1.17

dPPAS2

-----------------DPEDELKRVEKLVKEAEELLRQAKEKG--SEEDLEKALRTAEEAAREAKKVLEQAEKEGD--PEVALRAVELVVRVAELLLRIAKE-----------------SGSEEALERALRVAEEAARLAKRVLELAEKQGDPEVALRAVELVVRVAELLLRIAKESGSEEALERALRVAEEAARLAKRVLELAEKQGDPEVARRAVELVKRVAELLERIARESGSEEAKERAERVREEARELQERVKELRER----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4ut1A

0.09

0.08

0.87

1.04

PPAS

LNAAQTQGSSLSYTLVAQLNNYVAGIATAITNYFTGLQTVANNAA-DPSARQTAMSNAQTLASQLVAAGQQYSQLRQSVNSQLTDTVTQINSYTSQIAQLNEQ--------------ASASSPNQLLDQRDLAVSKLSQLAGQVVQSNGNYSVFLSGGQPLVVGNASYQLATVASPSDPSELTIVSKGVAGSAQPGPTQYLPDVSLTG----GALGGLLAFRSQTLDPAQAQLGALAVSFASQVNAQNALGVDMSGNPGGSLFAVGAPAVYANQNNTGSATLSVSFVDGTQPTTSDYALSYDGAKYTL------------------------TDRATGSVVGTATPSSTPPTMTIGSSTPNAGDSFTVLPTRGALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGYQLPSGTTTLAYNAASK-----TLSGFPVGTTVTIAGTPPTSINITSATTPVPYDPSKGASMTISSTTQPAPSGVMNGVSVSLSGTPADGDQFTGANKGTNDGRNALALSQLVN------------------------SKTMNNGT

1w99A

0.09

0.08

0.89

1.06

Env-PPAS

FMTNTGNLIDQTAYVRTDANAKMTVVKDYLDQYTTKFNTWKREPN-NQSYRTAVITQFNLTSAKLRETAVYFSNLLLLLPIYAQVANFNLLLIRDGLINAQEWSLA--------------------RSAGDQLYNTMVQYTKEYIAHSITWYNKGLDVLRNK---------------SNGQWITFNDYKREMTIQVLDILALFASYDDKIDNTKLSKTEFTREIYTALVESPSSKSIAALEAALTRDVHLFTWLKRVDFWTNTIYQDLRNKIGFSYTNSSAMQESGIYGSSGFGSNLTHQIQ-LNSNVYKTSITDTSSPSNRVTKMDFYK----IDGTLASYNSNITPTPEGLRTTFFGFSTNENTPNQ------PTVNDYTHIL------SYIKTDVIDYNSVSFAWTHKIVDPNNQIYTDAITQV--PAVKSNF---LNAT---AKVIKGPGDLVALTSNGTLSGRMEIQCKTSIFNDPTRSSPIVLNVSYVLQGVSRGTTISTESTFSRPNNIIPTDLKYEEFRYKD-PFDAIVPMRLSSNQLITIAIQPLNMTSNNQR

4b2nA

0.10

0.95

1.04

PPAS

PPPPFVNRLPPRPTTCGQFRASATRGRVNLEERQ-------FQPMALATSYHFIFLQWGYLIRPPDFEEQVSKRYGLYPAPFRNPYPLPGEDPNQTNGGSGQLGLIQGKDDNGRWTGLDSRLGTASEASFKWGLPNSANDAGLLASDMFRTTPI------TALGNLLPLPWSTGRGSSDAIGLISLLPALFDMETLTLAPSLLEYVADAPHAGMAWWARAFKTLSSDNVHSEMAFGVANIFRDANARRGLEDEFEDINNFLISLSPAT---KTINTALAEQGAVIYHERDLWASGANGAIPKPAGNGSCASCHGVYSPRHAADPNYLPDPRLKGVAAVVTPIETIRTDP-----------RRMRLMADERQRRAWNSGWWAYNNLSPSWTGYPSNIVASELRRVPRAIYNNGGPIYSPLGWEEPTGYIAPPLYGAWATAPYFHNGSVPNLWKPSDRPKLWKRPYTAAGIGGKNAGYDYSFASYDWQKGWKYTAVACNNSIFTSPFLPCTHNMATIDILYSMWDNVAAQYLNLAYQSPPPITDQQIKSRMVYNSYLYGNDGGH

5cwiA

0.11

0.04

0.41

1.09

dPPAS2

--------------DIEKLCKKAESEAREARSKAEELRQRHPDS-----QAARDAQKLASQAEEAVKLACELAQEHADIAKLCIKAASEAAEAASKAAELAQR-------------HPDSQAARDAIKLASQAAEAVKLACELAQEHPNADIAKLCIKAASEAAEAASKAAELAQRHPDSQAARDAIKLASQAAEAVKLACELAQEHPNADIAKKCIKAASEAAEEASKAAEEAQRHPDSQKARDEIKEASQKAEEVKERCER-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

1ciyA

0.08

0.07

0.95

1.06

Env-PPAS

IDISLSLTQFL-LSEFVPGAGFVLGLVDIIPSQWDAFLVQIEQLRIEEFARNQAISRLEGLSNLYQIYAESFREWEAD-PTNPALREEMRIQFNDMNSALTTAIPLLAVQNYQVPLLSVYVQAANLHLSVLRDVSVFGQRWGFDAATINSRYNDLTRLIGNYTDYAVRWYNTGLERVWGPDSRDWVRYNQFRRELTLTVLDIVALFSNYPIRTVSQLTREIYTNPVLENFDGSFRGMAQRIEQNIRQPHLMDILNSITIYTDVHRGFNHQITASPVGFSGPEFAFPLFGNAGNAPPVLVSLTGLGIFRTLSSPLYRRIILGSGPNNQELF-----VLDGTEFSFASLTTNLPSTIYRQRGTVDSLDVIPPQDNSVPPRAGFSHRLSMLSQAAGAVYTLRAP---TFSWQHRSAEFNNIIPSSQITQI--PLTKSTN-----LGSGTSVVKGTGGDILRRTSPGQISTLRVITAPLSQRYRVRIRASTTNLQFHTSIDGRPINQGNFSATMSSGSNLQ-----SGSFRTVGFTTPFNFSNGSSVFTLS-------AHVFNSGN

5cwoA

0.11

0.04

0.39

1.07

dPPAS2

-------------PELEEWIRRAKEVAKEVEKVAQRAEEEGN--------PDLRDSAKELRRAVEEAIEEAKKQGNPELVEWVARAAKVAAEVIKVAIQAEKEG------------------NRDLFRAALELVRAVIEAIEEAVKQGNPELVEWVARAAKVAAEVIKVAIQAEKEGN------RDLFRAALELVRAVIEAIEEAVKQGNPELVERVARLAKKAAELIKRAIRAEKEGNRDERREALERVREVIERIEELVRQG----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

(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=-4.37

Estimated TM-score = 0.26±0.08

Estimated RMSD = 19.1±2.0Å

Download Model 2

C-score=-4.17

Download Model 3

C-score=-3.99

Download Model 4

C-score=-3.67

Download Model 5

C-score=-3.44

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	3eb7A	0.761	4.35	0.063	0.922
2	1dlcA	0.739	4.42	0.078	0.900
3	1ji6A	0.737	4.48	0.048	0.904
4	2c9kA	0.726	5.07	0.074	0.925
5	1ciyA	0.724	4.58	0.075	0.897
6	4w8jA	0.720	4.61	0.069	0.891
7	1i5pA	0.665	5.09	0.051	0.858
8	1w99A	0.663	4.90	0.075	0.833
9	4d8mA	0.616	5.49	0.061	0.810
10	3x0uA	0.503	5.18	0.069	0.648

(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	0.04	2	4jbeB	CA	Rep, Mult	193,197
2	0.04	2	1ea0A	F3S	Rep, Mult	283,284,285,286,287,301,304,305
3	0.04	2	3ev6B	RSF	Rep, Mult	375,379
4	0.04	2	1u8eA	UUU	Rep, Mult	395,401,406,407
5	0.02	1	4zfzA	ZN	Rep, Mult	49,52
6	0.02	1	2vf3A	CL	Rep, Mult	347,348,505
7	0.02	1	3tptB	MG	Rep, Mult	502,524,534
8	0.02	1	3f9oA	ZN	Rep, Mult	348,446
9	0.02	1	4ku8A	GLY	Rep, Mult	144,148
10	0.02	1	3zs0C	UUU	Rep, Mult	422,425
11	0.02	1	1f8yB	5MD	Rep, Mult	422,448
12	0.02	1	1brrC	ARC	Rep, Mult	67,89,93
13	0.02	1	3eufA	BAU	Rep, Mult	347,348
14	0.02	1	3cu8B	MG	Rep, Mult	58,205
15	0.02	1	5ioeB	ZN	Rep, Mult	62,66
16	0.02	1	1swiC	BNZ	Rep, Mult	19,23
17	0.02	1	3m9gA	ZN	Rep, Mult	455,479
18	0.02	1	2qqwA	ZN	Rep, Mult	502,504
19	0.02	1	2bgrA	UUU	Rep, Mult	266,297,435,439,440
20	0.02	1	3rcqA	ZN	Rep, Mult	399,446

	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	2nyaA	0.332	7.64	0.039	0.541	1.7.99.4	NA
2	0.060	1e5tA	0.346	7.64	0.031	0.568	3.4.21.26	NA
3	0.060	2f6dA	0.340	6.98	0.042	0.512	3.2.1.3	116,155
4	0.060	2j5wA	0.388	7.66	0.029	0.642	1.16.3.1	NA
5	0.060	1bf2A	0.341	7.66	0.043	0.550	3.2.1.68	140
6	0.060	2gbcA	0.365	8.11	0.039	0.625	3.4.14.5,3.4.15.5	NA
7	0.060	1llwA	0.383	7.98	0.041	0.644	1.4.7.1	NA
8	0.060	1h16A	0.362	7.51	0.065	0.585	2.3.1.54	NA
9	0.060	1orvA	0.354	7.81	0.065	0.589	3.4.14.5	NA
10	0.060	2ecfA	0.336	7.96	0.050	0.562	3.4.14.5	NA
11	0.060	3ffzA	0.359	7.65	0.034	0.585	3.4.24.69	NA
12	0.060	3ig5A	0.334	7.96	0.036	0.552	6.3.2.2	485
13	0.060	1ug9A	0.340	7.58	0.054	0.553	3.2.1.70	197
14	0.060	2nyaF	0.336	7.80	0.048	0.550	1.7.99.4	426
15	0.060	1dgjA	0.341	7.47	0.051	0.541	1.2.-.-	196
16	0.060	3hhsA	0.334	7.93	0.047	0.559	1.14.18.1	401
17	0.060	1ayxA	0.341	6.94	0.037	0.512	3.2.1.3	NA
18	0.060	2d5lA	0.344	8.03	0.038	0.585	3.4.14.-	NA
19	0.060	2cqsA	0.372	7.25	0.041	0.575	2.4.1.20	179

(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	0.14	0.761	4.35	0.06	0.92	3eb7A	GO:0005102 GO:0006952 GO:0009405 GO:0030435
1	0.13	0.739	4.42	0.08	0.90	1dlcA	GO:0005102 GO:0006952 GO:0009405 GO:0030435
2	0.12	0.726	5.07	0.07	0.93	2c9kA	GO:0005102 GO:0006952 GO:0009405 GO:0030435
3	0.12	0.737	4.48	0.05	0.90	1ji6A	GO:0005102 GO:0006952 GO:0009405 GO:0030435
4	0.12	0.720	4.61	0.07	0.89	4w8jA	GO:0005102 GO:0006952 GO:0009405 GO:0030435
5	0.12	0.724	4.58	0.07	0.90	1ciyA	GO:0005102 GO:0006952 GO:0009405 GO:0030435
6	0.11	0.706	5.00	0.07	0.90	4moaA	GO:0005102 GO:0006952 GO:0009405 GO:0030435
7	0.09	0.665	5.09	0.05	0.86	1i5pA	GO:0005102 GO:0006952 GO:0009405 GO:0030435
8	0.07	0.616	5.49	0.06	0.81	4d8mA	GO:0009405 GO:0030435
9	0.07	0.503	5.18	0.07	0.65	3x0uA	GO:0009405
10	0.06	0.240	7.14	0.03	0.37	3odpA	GO:0005975 GO:0016853 GO:0030246
11	0.06	0.220	6.48	0.04	0.32	4bvkB	GO:0016787
12	0.06	0.211	7.11	0.05	0.33	4p4oA	GO:0003677 GO:0003887 GO:0005634 GO:0006281 GO:0034061 GO:0071897
13	0.06	0.185	6.16	0.05	0.26	3o38A	GO:0004316 GO:0016491 GO:0055114 GO:0102132
14	0.06	0.208	7.06	0.05	0.32	4k3vB	GO:0006810 GO:0007155 GO:0030001 GO:0046872
15	0.06	0.205	6.78	0.02	0.31	1g6oA	GO:0000166 GO:0005524 GO:0005737 GO:0006810 GO:0009405
16	0.06	0.175	3.45	0.08	0.20	1yo7A	GO:0006351 GO:0006355
17	0.06	0.176	6.53	0.06	0.26	2wacA	GO:0003712 GO:0004518 GO:0005811 GO:0005829 GO:0005875 GO:0016442 GO:0016787 GO:0031047 GO:0035194 GO:0090305 GO:1903506
18	0.06	0.173	5.71	0.05	0.24	1lqsR	GO:0004871 GO:0004872 GO:0004920 GO:0005886 GO:0016020 GO:0016021 GO:0019221 GO:0019969 GO:0032496

Consensus prediction of GO terms

Molecular Function	GO:0005102
GO-Score	0.49
Biological Processes	GO:0009405	GO:0006952	GO:0030435
GO-Score	0.49	0.49	0.49
Cellular Component
GO-Score

(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.