I-TASSER results

I-TASSER results for job id Rv2608

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

Input Sequence in FASTA format

>protein (580 residues)
MNFAVLPPEVNSARIFAGAGLGPMLAAASAWDGLAEELHAAAGSFASVTTGLAGDAWHGP
ASLAMTRAASPYVGWLNTAAGQAAQAAGQARLAASAFEATLAATVSPAMVAANRTRLASL
VAANLLGQNAPAIAAAEAEYEQIWAQDVAAMFGYHSAASAVATQLAPIQEGLQQQLQNVL
AQLASGNLGSGNVGVGNIGNDNIGNANIGFGNRGDANIGIGNIGDRNLGIGNTGNWNIGI
GITGNGQIGFGKPANPDVLVVGNGGPGVTALVMGGTDSLLPLPNIPLLEYAARFITPVHP
GYTATFLETPSQFFPFTGLNSLTYDVSVAQGVTNLHTAIMAQLAAGNEVVVFGTSQSATI
ATFEMRYLQSLPAHLRPGLDELSFTLTGNPNRPDGGILTRFGFSIPQLGFTLSGATPADA
YPTVDYAFQYDGVNDFPKYPLNVFATANAIAGILFLHSGLIALPPDLASGVVQPVSSPDV
LTTYILLPSQDLPLLVPLRAIPLLGNPLADLIQPDLRVLVELGYDRTAHQDVPSPFGLFP
DVDWAEVAADLQQGAVQGVNDALSGLGLPPPWQPALPRLF

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MNFAVLPPEVNSARIFAGAGLGPMLAAASAWDGLAEELHAAAGSFASVTTGLAGDAWHGPASLAMTRAASPYVGWLNTAAGQAAQAAGQARLAASAFEATLAATVSPAMVAANRTRLASLVAANLLGQNAPAIAAAEAEYEQIWAQDVAAMFGYHSAASAVATQLAPIQEGLQQQLQNVLAQLASGNLGSGNVGVGNIGNDNIGNANIGFGNRGDANIGIGNIGDRNLGIGNTGNWNIGIGITGNGQIGFGKPANPDVLVVGNGGPGVTALVMGGTDSLLPLPNIPLLEYAARFITPVHPGYTATFLETPSQFFPFTGLNSLTYDVSVAQGVTNLHTAIMAQLAAGNEVVVFGTSQSATIATFEMRYLQSLPAHLRPGLDELSFTLTGNPNRPDGGILTRFGFSIPQLGFTLSGATPADAYPTVDYAFQYDGVNDFPKYPLNVFATANAIAGILFLHSGLIALPPDLASGVVQPVSSPDVLTTYILLPSQDLPLLVPLRAIPLLGNPLADLIQPDLRVLVELGYDRTAHQDVPSPFGLFPDVDWAEVAADLQQGAVQGVNDALSGLGLPPPWQPALPRLF
Prediction	CCCCCCCCHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEHCCCCHHHHHHHHHHHHCCCCCCCCCCCCCEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEHCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCHHHCCCCCCCCCCCCCCEEEEEHCCCCCCHHHHHHHHCCCCHHHHHHHCCCCEEEHCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHCHHHHHHHHCCCCCCCCCCCCCC
Conf.Score	9865588556665556789867899999999999999999999999999876567778859999999999999999999999999999999999999988887788545555678899988756777776445566777887765444444445556665556778888888777788766667776666777878888778887777878888888888888888888888888888877888888877888888888778888887777778888888898877666677777788899877667777777777888888877765444456776545667899976999957875467889988875788889887776556658888988887778887678888888889998886589999658877789888765789999999998756776788866555654467888887689998689997466678758887677877566544554468999999998877667888877788899998875555677887567888888899999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MNFAVLPPEVNSARIFAGAGLGPMLAAASAWDGLAEELHAAAGSFASVTTGLAGDAWHGPASLAMTRAASPYVGWLNTAAGQAAQAAGQARLAASAFEATLAATVSPAMVAANRTRLASLVAANLLGQNAPAIAAAEAEYEQIWAQDVAAMFGYHSAASAVATQLAPIQEGLQQQLQNVLAQLASGNLGSGNVGVGNIGNDNIGNANIGFGNRGDANIGIGNIGDRNLGIGNTGNWNIGIGITGNGQIGFGKPANPDVLVVGNGGPGVTALVMGGTDSLLPLPNIPLLEYAARFITPVHPGYTATFLETPSQFFPFTGLNSLTYDVSVAQGVTNLHTAIMAQLAAGNEVVVFGTSQSATIATFEMRYLQSLPAHLRPGLDELSFTLTGNPNRPDGGILTRFGFSIPQLGFTLSGATPADAYPTVDYAFQYDGVNDFPKYPLNVFATANAIAGILFLHSGLIALPPDLASGVVQPVSSPDVLTTYILLPSQDLPLLVPLRAIPLLGNPLADLIQPDLRVLVELGYDRTAHQDVPSPFGLFPDVDWAEVAADLQQGAVQGVNDALSGLGLPPPWQPALPRLF
Prediction	4300010000000101000000001000100220033012002001000111212211010000002003302100120022033003102100001110110013122021133210100000101121110021233224132221200111231122022201202223332233122211221121232321110110101201011021121101000112010101111111022211111222322222322221222233222122111112122222122222202312111121221211120121111212223312232143332102322234220000001100000120123014324323132211110010012011000001201100001131322215330201100000000000021000000110010000000120221315314412313436422000000107200001002201102410031023302000010021523252100011123130140133003101320420043124244342431647
	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                 580

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

Sec.Str
Seq

CCCCCCCCHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEHCCCCHHHHHHHHHHHHCCCCCCCCCCCCCEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEHCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCHHHCCCCCCCCCCCCCCEEEEEHCCCCCCHHHHHHHHCCCCHHHHHHHCCCCEEEHCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHCHHHHHHHHCCCCCCCCCCCCCC
MNFAVLPPEVNSARIFAGAGLGPMLAAASAWDGLAEELHAAAGSFASVTTGLAGDAWHGPASLAMTRAASPYVGWLNTAAGQAAQAAGQARLAASAFEATLAATVSPAMVAANRTRLASLVAANLLGQNAPAIAAAEAEYEQIWAQDVAAMFGYHSAASAVATQLAPIQEGLQQQLQNVLAQLASGNLGSGNVGVGNIGNDNIGNANIGFGNRGDANIGIGNIGDRNLGIGNTGNWNIGIGITGNGQIGFGKPANPDVLVVGNGGPGVTALVMGGTDSLLPLPNIPLLEYAARFITPVHPGYTATFLETPSQFFPFTGLNSLTYDVSVAQGVTNLHTAIMAQLAAGNEVVVFGTSQSATIATFEMRYLQSLPAHLRPGLDELSFTLTGNPNRPDGGILTRFGFSIPQLGFTLSGATPADAYPTVDYAFQYDGVNDFPKYPLNVFATANAIAGILFLHSGLIALPPDLASGVVQPVSSPDVLTTYILLPSQDLPLLVPLRAIPLLGNPLADLIQPDLRVLVELGYDRTAHQDVPSPFGLFPDVDWAEVAADLQQGAVQGVNDALSGLGLPPPWQPALPRLF

4ut1A

0.11

0.10

0.91

1.03

MUSTER

-S------QLNAAQ----TQGSSLSTYYTLVAQLNNYVGSPTAGIATAITNYF-------TGLQTVANNAADPSARQTAMSNAQTLASQLVAAGQQYSQLRQSVN--SQLTDTVTQINSYTSQ-IAQLNE-QIASASNQLLDQRDLAVSKLSQLGNYSVFLSGGQPLVVGNASYQLATVASPSDPSELTIVSKGVAGSAQPGPTQYLPDVSLTGGALGGLLAFRSQTLDPAQAQLGALAVSFASQVNAQNALGVDMSGNPGGSLAVGAPAVYANQNNTGSATLSVSFVDGTQPTTSDYALSYDGAKYTLTDRATGSVVGTATPSSTPPTMTIGGLKLSLSSTPNAGDSFTVLPTRGAL--------------DGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGYQLPSGT-TTLAYNAASKTLSGFPVGTT------------VTIAGTPPTSINITSATTPVPYDPSKGASMTISSTTQPAP-VMNGVSVSLSGTPADGD---QFTIGANKGTNDGRNALALSQLVNSKTMNLTGAYAGYVNAIGNAASQLKASSAAQTALVGQITQAQ

4ut1A

0.13

0.12

0.87

0.98

wMUSTER

-----------SNQL------NAAQTQGSSLSTYYTLVAQLNNYVAGIATAITN--F---TGLQTVAN--A-PSARQTAMSNAQTLASQLVAAGQQYSQLRQSV---SQLTDTVTQINSYTSQ-IAQLNE-QIASASNQLLDQRDLAVSKLSQLAGSGGQPGNASYQLATVASPSDPSELTIVSKGVAGSAQPGPTQYLPDLTGGALGGLLAFRSQTLDPAQAQLGALAVSFASQVNLGVDMSGNPGGSLFAVGAPAVYANQNNTGSATLSVSFVDGTQPTTSDYALSYDGAKYTLTDRATGSVVGTATPSSTPPTMTIGGL--KLSLSSTPNAGDSFTVLPTRGALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGLPSGTTTLAYNAASKTLSGFPVGTTVTIAGTPPTSINITSATTPVPYDPSKGAS-----------MTISSTTQPAPSGVMNGVSVSLSGTPADGDQFTIGANKGTALSQLVNSKTMNNGLTGAYAG----YVAIG-----------------AASQLKASSAAQTALVGQITQAQQSVS-------------

2g38B

0.35

0.10

0.30

1.30

dPPAS

-AFEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4b2nA

0.13

0.11

0.90

0.97

wMUSTER

LDQASLPVD-PRSLVKQGVNSNP---AALQFNAYFVDLHNPPPPF------VNRLPPRPTCGQFRASATRGRVNLEER------------------------QFFQP---MALATSYHFIFLQ--WGYLIRP-----PDFEEQVSKRYGLYPAPFRNPYPLPGEDPNQTNGGSGQLPLGIQGKDDNGRWTGLIGDSRLGTASEASFKWGLPNS-ANDAGLRTTPITALGNLLPLPWSTGRGSSDAIGLISLLPALFDMETLTLAPSLLEYVADAPHAGMTKAP--AWWARAFKTRQFWDGSLSSDNVHSEMAFGVANIFRDANARRGLEDEFEDINNFLISLSPATYP-----KTINTALAEQGAVIYHERDLWASGANGAIPKP-AGNGSCAS-GVYSPRHAADPNY-LPDPRLKGVAAVVTPIETIRTDPRMRLMADERQRRAWNSGWWAYNNLSPSWTGYPSDNIIYSPLGPNIWEEPTGYIAPPLYGAWATAPYFHNGSVPN-LWGVLKPSDRPLWKRPYTAAGIGGKNAGYDYFTSPFLPCTHNMATIDILYSMWDNVAAQYLNLAYQ-SPPPIT

2g38B

0.35

0.10

0.30

2.61

wdPPAS

-AFEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4ut1A

0.12

0.10

0.89

1.39

PPAS

-S------QLNAAQ-----QGSSLSTYYTLVAQLNNYVGSPTAGIATAITNYFT-GLQTVANNA-PSARQTAMSNAQTLASQLVAAGQQYSQLRQSVNSQLTDTV--TQINSYTSQIAQLNEQ--------ASASSPNQLLDQRDLAVSKLSQLAGVQVVQSNGNYSVFLSGGQP---VGNASYQLATVASPSDPSELTIVSKGVAGSAQPGPTQYLPDVSLTGGALGGLLAFRSQALGVDMSGNPGGSLFAVGAPAVYANQNNTGSATLSVSFVDGTQPTTSDYALSYDGAKYTLTDRATGSVVGTATPSSTPPTMTIGGLKLSLSSTPNAGDSFTVLPTRGALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGYQLPSGTTTLAYNAASKTLSGFPVGTTVTIAGTPPTSINITSATTPVPYDPSKGASMTISST---------TQPAPSGVMNGVSVSLSGTPADGDQFTIGANKGTNDGRNALALSQLVNSKTMNNGTTTL----TGAYA-----------GYVNAISQLKASSAAQTALVGQITQAQQSVS-------------

2g38B

0.35

0.10

0.30

1.30

wMUSTER

--FEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4ut1A

0.14

0.11

0.79

0.99

wPPAS

VA------QLNNYV--PTAGATAITNYFTGLQTVANN----AAD-PSARQTAMS------NAQTLASQLVAAGQQYSQLRQSVNSQLTDTVTQINSYTSQIAQL-SPNQLLDQRDLAVSKLSQ-LAG-----VQVVQSN-------SVFLSGGQVGNASYQLATVASPSDPSELTIVSKGVAGSAQPGPTQYLPDVSLTGGALGGLNLGVDMSGNPGGSLFAVGAPAVNQNNTGSATLSVSFVDGTQPTTSDDGAKYTLTDRATGSVVGTATPSSTPPTMTIGGLKLSLSSTPNAGPTRGALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSAGYQLPSGTTTLAYNAASKTLSGFPVGTTVTIAGTPPTSINITSATTPVPYDPSKGASMTISSTTQPAPSGVMNGGTPADG-DQFTIGAN-KGTND------G--RNALALSQLVNSKT--------------------NGTTT------------------------LTGAYA-----YVAIG-------------------SQLKASSAAQTALVGQITQAQQSVS-------------

2g38B

0.35

0.10

0.30

3.93

wPPAS

-AFEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

2g38B

0.35

0.10

0.30

2.77

dPPAS2

-AFEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

(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 3 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=-1.41

Estimated TM-score = 0.54±0.15

Estimated RMSD = 11.0±4.6Å

Download Model 2

C-score=-0.79

Download Model 3

C-score=-1.18

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	4b2nA	0.848	2.99	0.075	0.931
2	3faqA	0.353	7.60	0.046	0.571
3	1t3tA	0.350	7.86	0.056	0.579
4	2eabA	0.344	7.93	0.036	0.566
5	4zhjA	0.343	7.90	0.061	0.574
6	4f91B	0.340	7.98	0.046	0.566
7	5a22A	0.339	7.88	0.038	0.555
8	4r04A	0.339	7.27	0.040	0.528
9	3hkzJ	0.338	8.27	0.030	0.576
10	3h0gB	0.334	8.00	0.036	0.557

(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	2jstB	HLT	Rep, Mult	31,34,69
2	0.04	2	1oaoA	SF4	Rep, Mult	118,126,143,146,530
3	0.04	2	3e6sA	FE	Rep, Mult	98,334
4	0.02	1	2ww8A	MG	Rep, Mult	355,357,525
5	0.02	1	3c9iB	XE	Rep, Mult	165,180
6	0.02	1	4o9uE	NAP	Rep, Mult	309,312
7	0.02	1	2ojvA	UUU	Rep, Mult	119,123,147
8	0.02	1	2b9sB	NUC	Rep, Mult	357,359
9	0.02	1	2z8yD	SF4	Rep, Mult	311,313,314,317,335
10	0.02	1	1yo8A	CA	Rep, Mult	255,257,277,279,282,283,284
11	0.02	1	1n38A	CH1	Rep, Mult	373,374,383,384,385,386
12	0.02	1	4b2nA	HEM	Rep, Mult	298,390,391,394,395,423,427,428,430,484,485,486,487,489,498,499,500,507,511,512
13	0.02	1	3cu2A	CA	Rep, Mult	316,318
14	0.02	1	2g38B	MN	Rep, Mult	149,152,153
15	0.02	1	1cprA	ZN	Rep, Mult	32,36
16	0.02	1	2z8yD	SF4	Rep, Mult	218,219,241,243
17	0.02	1	3huzP	MG	Rep, Mult	192,194
18	0.02	1	2axtM	CLA	Rep, Mult	97,101
19	0.02	1	2z8xA	CA	Rep, Mult	201,217,225,227
20	0.02	1	4xgcC	III	Rep, Mult	89,90

	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	3hkzJ	0.338	8.27	0.030	0.576	2.7.7.6	213
2	0.060	1llwA	0.327	7.65	0.040	0.521	1.4.7.1	NA
3	0.060	2vdcF	0.312	7.90	0.044	0.507	1.4.1.13	301
4	0.060	1n1hA	0.333	8.14	0.050	0.567	2.7.7.48	NA
5	0.060	3ffzA	0.315	7.71	0.058	0.509	3.4.24.69	NA
6	0.060	2eabA	0.344	7.93	0.036	0.566	3.2.1.63	NA
7	0.060	2ckjA	0.312	7.95	0.048	0.519	1.17.1.4,1.17.3.2	293
8	0.060	2vhdB	0.315	4.26	0.049	0.372	1.11.1.5	197
9	0.060	1g8kE	0.291	8.02	0.052	0.484	1.20.98.1	NA
10	0.060	1mo7A	0.171	5.93	0.033	0.234	3.6.3.9	112
11	0.060	1dgjA	0.319	7.84	0.045	0.524	1.2.-.-	NA
12	0.060	1t3tA	0.350	7.86	0.056	0.579	6.3.5.3	NA
13	0.060	2vhdA	0.315	4.36	0.057	0.376	1.11.1.5	31
14	0.060	2z8yD	0.297	8.02	0.062	0.495	1.2.7.4,1.2.99.2	NA
15	0.060	1ea0A	0.338	7.88	0.039	0.560	1.4.1.13	NA
16	0.060	1hi8A	0.322	7.79	0.033	0.524	2.7.7.48	145
17	0.060	3lxuX	0.318	7.79	0.053	0.522	3.4.14.10	6,153,199
18	0.060	1e1cA	0.315	7.92	0.052	0.526	5.4.99.2	NA
19	0.060	2vycA	0.316	7.79	0.048	0.521	4.1.1.19	278

(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	0.18	0.848	2.99	0.07	0.93	4b2nA	GO:0009055 GO:0020037 GO:0046872
1	0.06	0.349	7.68	0.08	0.57	2e9eA	GO:0004601 GO:0006979 GO:0018969 GO:0020037 GO:0036393 GO:0042742 GO:0046872 GO:0055114 GO:0098869
2	0.06	0.329	7.32	0.03	0.52	4kvjA	GO:0004601 GO:0006979 GO:0020037 GO:0046872 GO:0055114 GO:0098869
3	0.06	0.317	7.57	0.05	0.51	4ejxD	GO:0001878 GO:0002149 GO:0002679 GO:0003682 GO:0004601 GO:0005615 GO:0005634 GO:0005739 GO:0005764 GO:0006952 GO:0006979 GO:0007568 GO:0008201 GO:0009612 GO:0016491 GO:0019430 GO:0020037 GO:0030141 GO:0032094 GO:0032496 GO:0034374 GO:0042582 GO:0042744 GO:0043066 GO:0044130 GO:0046872 GO:0050832 GO:0055114 GO:0070062 GO:1990268
4	0.06	0.350	7.84	0.04	0.58	4lgyA	GO:0000166 GO:0004642 GO:0005524 GO:0005737 GO:0006164 GO:0006189 GO:0006541 GO:0009156 GO:0016874 GO:0046872
5	0.06	0.280	7.79	0.04	0.46	5f1aA	GO:0001516 GO:0001525 GO:0004601 GO:0004666 GO:0005634 GO:0005737 GO:0005783 GO:0005788 GO:0005789 GO:0005901 GO:0006629 GO:0006631 GO:0006633 GO:0006693 GO:0006769 GO:0006928 GO:0006954 GO:0006979 GO:0007566 GO:0007612 GO:0007613 GO:0008217 GO:0008284 GO:0008285 GO:0008289 GO:0009314 GO:0009750 GO:0010033 GO:0010042 GO:0010226 GO:0010243 GO:0010575 GO:0010942 GO:0014070 GO:0016020 GO:0016491 GO:0016702 GO:0019233 GO:0019371 GO:0019372 GO:0019899 GO:0020037 GO:0030282 GO:0030728 GO:0031090 GO:0031394 GO:0031622 GO:0031915 GO:0032227 GO:0032355 GO:0032496 GO:0033280 GO:0034097 GO:0034612 GO:0034644 GO:0035633 GO:0042127 GO:0042346 GO:0042493 GO:0042633 GO:0042803 GO:0043005 GO:0043065 GO:0043231 GO:0043234 GO:0045429 GO:0045786 GO:0045907 GO:0045986 GO:0045987 GO:0046697 GO:0046872 GO:0048661 GO:0050473 GO:0050727 GO:0050873 GO:0051213 GO:0051384 GO:0051926 GO:0051968 GO:0055114 GO:0070542 GO:0071260 GO:0071318 GO:0071456 GO:0071498 GO:0071636 GO:0090050 GO:0090271 GO:0090336 GO:0090362 GO:0098869
6	0.06	0.296	7.83	0.04	0.48	3ikmD	GO:0002020 GO:0003676 GO:0003677 GO:0003682 GO:0003887 GO:0005739 GO:0005760 GO:0006259 GO:0006260 GO:0006261 GO:0006264 GO:0006287 GO:0007568 GO:0008408 GO:0009416 GO:0010332 GO:0016740 GO:0016779 GO:0042645 GO:0043195 GO:0043234 GO:0055093 GO:0070062 GO:0071333 GO:0071897 GO:0090305
7	0.06	0.288	7.70	0.04	0.46	4rs0A	GO:0001516 GO:0001525 GO:0004601 GO:0004666 GO:0005737 GO:0005783 GO:0005789 GO:0005901 GO:0006629 GO:0006631 GO:0006633 GO:0006693 GO:0006954 GO:0006979 GO:0007566 GO:0007612 GO:0007613 GO:0008217 GO:0008284 GO:0008285 GO:0008289 GO:0009314 GO:0009750 GO:0010033 GO:0010042 GO:0010226 GO:0010243 GO:0010575 GO:0010942 GO:0014070 GO:0016020 GO:0016491 GO:0016702 GO:0019233 GO:0019371 GO:0019899 GO:0020037 GO:0030216 GO:0030282 GO:0030728 GO:0031090 GO:0031622 GO:0031915 GO:0032227 GO:0032355 GO:0032496 GO:0033280 GO:0034097 GO:0034612 GO:0034644 GO:0035633 GO:0042127 GO:0042346 GO:0042493 GO:0042633 GO:0042803 GO:0043005 GO:0043065 GO:0043231 GO:0043234 GO:0045429 GO:0045786 GO:0045907 GO:0045986 GO:0045987 GO:0046697 GO:0046872 GO:0048661 GO:0050873 GO:0051213 GO:0051384 GO:0051926 GO:0051968 GO:0055114 GO:0070542 GO:0071260 GO:0071318 GO:0071456 GO:0071498 GO:0071636 GO:0090050 GO:0090271 GO:0090336 GO:0090362 GO:0098869
8	0.06	0.279	7.99	0.04	0.46	1prhA	GO:0001516 GO:0004601 GO:0004666 GO:0005634 GO:0005737 GO:0005783 GO:0005789 GO:0006629 GO:0006631 GO:0006633 GO:0006693 GO:0006954 GO:0006979 GO:0008217 GO:0016020 GO:0016021 GO:0016491 GO:0019371 GO:0020037 GO:0031090 GO:0043231 GO:0046872 GO:0051213 GO:0055114 GO:0098869
9	0.06	0.238	8.60	0.05	0.43	2hruA	GO:0000166 GO:0000287 GO:0004642 GO:0005524 GO:0005737 GO:0006164 GO:0006189 GO:0006541 GO:0009156 GO:0016874 GO:0046872
10	0.06	0.261	7.53	0.08	0.42	3viuA	GO:0000166 GO:0000287 GO:0004642 GO:0005524 GO:0005737 GO:0006164 GO:0006189 GO:0016874 GO:0046872
11	0.06	0.245	7.03	0.04	0.37	1pmiA	GO:0004476 GO:0005737 GO:0005975 GO:0008270 GO:0009298 GO:0016853 GO:0031505 GO:0046872
12	0.06	0.246	7.16	0.06	0.38	4zhtA	GO:0000166 GO:0003824 GO:0004553 GO:0005524 GO:0005737 GO:0005829 GO:0006045 GO:0006047 GO:0006054 GO:0007155 GO:0008152 GO:0008761 GO:0009384 GO:0016301 GO:0016310 GO:0016740 GO:0016787 GO:0046835 GO:0046872
13	0.06	0.236	7.60	0.04	0.38	1r9jB	GO:0003824 GO:0004802 GO:0008152 GO:0016740 GO:0046872
14	0.06	0.218	7.38	0.02	0.34	1oc5A	GO:0000272 GO:0004553 GO:0005576 GO:0005975 GO:0008152 GO:0016162 GO:0016787 GO:0016798 GO:0030245 GO:0030248
15	0.06	0.238	8.44	0.05	0.42	2hs3A	GO:0000166 GO:0000287 GO:0004642 GO:0005524 GO:0005737 GO:0006164 GO:0006189 GO:0006541 GO:0009156 GO:0016874 GO:0046872
16	0.06	0.217	7.37	0.03	0.34	1a12A	GO:0000082 GO:0000790 GO:0000794 GO:0003677 GO:0003682 GO:0005085 GO:0005087 GO:0005634 GO:0005654 GO:0005737 GO:0007049 GO:0007052 GO:0007059 GO:0007067 GO:0007088 GO:0016032 GO:0031492 GO:0031965 GO:0042393 GO:0043547 GO:0051225 GO:0051301
17	0.06	0.203	6.74	0.06	0.30	4ufoA	GO:0003824 GO:0016787
18	0.06	0.187	6.36	0.03	0.27	1a5zA	GO:0003824 GO:0004459 GO:0005737 GO:0005975 GO:0006096 GO:0016491 GO:0016616 GO:0019752 GO:0055114

Consensus prediction of GO terms

Molecular Function	GO:0046872	GO:0016684	GO:0016209	GO:0020037
GO-Score	0.37	0.36	0.36	0.33
Biological Processes	GO:0006950	GO:0044710
GO-Score	0.36	0.36
Cellular Component	GO:0042582	GO:0005615	GO:0005739	GO:0005634	GO:0070062
GO-Score	0.06	0.06	0.06	0.06	0.06

(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.