I-TASSER results

I-TASSER results for job id Rv1800

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

Input Sequence in FASTA format

>protein (655 residues)
MLPNFAVLPPEVNSARVFAGAGSAPMLAAAAAWDDLASELHCAAMSFGSVTSGLVVGWWQ
GSASAAMVDAAASYIGWLSTSAAHAEGAAGLARAAVSVFEEALAATVHPAMVAANRAQVA
SLVASNLFGQNAPAIAALESLYECMWAQDAAAMAGYYVGASAVATQLASWLQRLQSIPGA
ASLDARLPSSAEAPMGVVRAVNSAIAANAAAAQTVGLVMGGSGTPIPSARYVELANALYM
SGSVPGVIAQALFTPQGLYPVVVIKNLTFDSSVAQGAVILESAIRQQIAAGNNVTVFGYS
QSATISSLVMANLAASADPPSPDELSFTLIGNPNNPNGGVATRFPGISFPSLGVTATGAT
PHNLYPTKIYTIEYDGVADFPRYPLNFVSTLNAIAGTYYVHSNYFILTPEQIDAAVPLTN
TVGPTMTQYYIIRTENLPLLEPLRSVPIVGNPLANLVQPNLKVIVNLGYGDPAYGYSTSP
PNVATPFGLFPEVSPVVIADALVAGTQQGIGDFAYDVSHLELPLPADGSTMPSTAPGSGT
PVPPLSIDSLIDDLQVANRNLANTISKVAATSYATVLPTADIANAALTIVPSYNIHLFLE
GIQQALKGDPMGLVNAVGYPLAADVALFTAAGGLQLLIIISAGRTIANDISAIVP

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 600 620 640 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MLPNFAVLPPEVNSARVFAGAGSAPMLAAAAAWDDLASELHCAAMSFGSVTSGLVVGWWQGSASAAMVDAAASYIGWLSTSAAHAEGAAGLARAAVSVFEEALAATVHPAMVAANRAQVASLVASNLFGQNAPAIAALESLYECMWAQDAAAMAGYYVGASAVATQLASWLQRLQSIPGAASLDARLPSSAEAPMGVVRAVNSAIAANAAAAQTVGLVMGGSGTPIPSARYVELANALYMSGSVPGVIAQALFTPQGLYPVVVIKNLTFDSSVAQGAVILESAIRQQIAAGNNVTVFGYSQSATISSLVMANLAASADPPSPDELSFTLIGNPNNPNGGVATRFPGISFPSLGVTATGATPHNLYPTKIYTIEYDGVADFPRYPLNFVSTLNAIAGTYYVHSNYFILTPEQIDAAVPLTNTVGPTMTQYYIIRTENLPLLEPLRSVPIVGNPLANLVQPNLKVIVNLGYGDPAYGYSTSPPNVATPFGLFPEVSPVVIADALVAGTQQGIGDFAYDVSHLELPLPADGSTMPSTAPGSGTPVPPLSIDSLIDDLQVANRNLANTISKVAATSYATVLPTADIANAALTIVPSYNIHLFLEGIQQALKGDPMGLVNAVGYPLAADVALFTAAGGLQLLIIISAGRTIANDISAIVP
Prediction	CCCCCCCCCCHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCHCCHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCCEEEEEHCHHHHHHHHHHHHHHHCCCCCCCCCEEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEHCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCHHHCCCCCCCCCCCCCCCEEEEEHCCCCCCHHHHHHHHCCCCHHHHHHHCCCCCEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHCCCCCCCEHCCCCCCCHHHHHHCCCCHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCC
Conf.Score	9987656884566655457998588999999999999999999999999998765565466699999999999999999999999999999999999999999877888999999999999999875566579999999999999999999988766666778876588888776677766666666666667777777666677777777665566788777888886566665544566778887544445887765556888887556788899999999999858899689999765899999999999866899998757999976899988875445787667777888899999998658999967887788999876689999999998875667778987666777667665688875899985899986888888589876788875544433344588888888888888887665568888888989999999887777777655778888888888887777888888888777777766678887544445555677875555765555455554666647899999999997884889998865567788999887778999999999999999986589
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 600 620 640 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MLPNFAVLPPEVNSARVFAGAGSAPMLAAAAAWDDLASELHCAAMSFGSVTSGLVVGWWQGSASAAMVDAAASYIGWLSTSAAHAEGAAGLARAAVSVFEEALAATVHPAMVAANRAQVASLVASNLFGQNAPAIAALESLYECMWAQDAAAMAGYYVGASAVATQLASWLQRLQSIPGAASLDARLPSSAEAPMGVVRAVNSAIAANAAAAQTVGLVMGGSGTPIPSARYVELANALYMSGSVPGVIAQALFTPQGLYPVVVIKNLTFDSSVAQGAVILESAIRQQIAAGNNVTVFGYSQSATISSLVMANLAASADPPSPDELSFTLIGNPNNPNGGVATRFPGISFPSLGVTATGATPHNLYPTKIYTIEYDGVADFPRYPLNFVSTLNAIAGTYYVHSNYFILTPEQIDAAVPLTNTVGPTMTQYYIIRTENLPLLEPLRSVPIVGNPLANLVQPNLKVIVNLGYGDPAYGYSTSPPNVATPFGLFPEVSPVVIADALVAGTQQGIGDFAYDVSHLELPLPADGSTMPSTAPGSGTPVPPLSIDSLIDDLQVANRNLANTISKVAATSYATVLPTADIANAALTIVPSYNIHLFLEGIQQALKGDPMGLVNAVGYPLAADVALFTAAGGLQLLIIISAGRTIANDISAIVP
Prediction	2301000100000000010000000010002001200320110020010001102122110100000010023021101100220331031020000011001001021220220030000000001101100100300320231211310010111211110122022223323323222212211221222212112111111111112122222222122232222211121222112121111011000101000101113323123123221430242034323252100000000000000300340064552132220000000013211000001111000000000232121623020000000000000002100000011001100000001012132530444232442434310000002062000000011011034200410242031004301423423344322422101110231302401320030013104301442442423323444341441334523233442542344342333421430343344312101020210100000011110100030033026231210130011000000000000000000000100240043045227
	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                 600                 620                 640

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

Sec.Str
Seq

CCCCCCCCCCHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCHCCHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCCEEEEEHCHHHHHHHHHHHHHHHCCCCCCCCCEEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEHCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCHHHCCCCCCCCCCCCCCCEEEEEHCCCCCCHHHHHHHHCCCCHHHHHHHCCCCCEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHCCCCCCCEHCCCCCCCHHHHHHCCCCHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCC
MLPNFAVLPPEVNSARVFAGAGSAPMLAAAAAWDDLASELHCAAMSFGSVTSGLVVGWWQGSASAAMVDAAASYIGWLSTSAAHAEGAAGLARAAVSVFEEALAATVHPAMVAANRAQVASLVASNLFGQNAPAIAALESLYECMWAQDAAAMAGYYVGASAVATQLASWLQRLQSIPGAASLDARLPSSAEAPMGVVRAVNSAIAANAAAAQTVGLVMGGSGTPIPSARYVELANALYMSGSVPGVIAQALFTPQGLYPVVVIKNLTFDSSVAQGAVILESAIRQQIAAGNNVTVFGYSQSATISSLVMANLAASADPPSPDELSFTLIGNPNNPNGGVATRFPGISFPSLGVTATGATPHNLYPTKIYTIEYDGVADFPRYPLNFVSTLNAIAGTYYVHSNYFILTPEQIDAAVPLTNTVGPTMTQYYIIRTENLPLLEPLRSVPIVGNPLANLVQPNLKVIVNLGYGDPAYGYSTSPPNVATPFGLFPEVSPVVIADALVAGTQQGIGDFAYDVSHLELPLPADGSTMPSTAPGSGTPVPPLSIDSLIDDLQVANRNLANTISKVAATSYATVLPTADIANAALTIVPSYNIHLFLEGIQQALKGDPMGLVNAVGYPLAADVALFTAAGGLQLLIIISAGRTIANDISAIVP

2g38B

0.30

0.08

0.26

1.30

dPPAS

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

4ut1A

0.11

0.09

0.83

1.29

PPAS

-----------------------SNQLNAAQTQGSSLSTYYTLVAQLNNYVGS---------PTAGIATAITNYFTGLQTVANNAADPSARQTAMSNAQTLASQLVAAGQQYSQLRQSVNSQLTDTVTQINSYTSQIAQLNEQIASASSPNQLLDQRDLAVSKLSQLAG-----QVVQSNGNYSVFLSGGQPLVVGNASYQLATVASPSDPSELTIVSKGVAGSAQPG--------------------------PTQYLPDVSLTGGALGGLLAFRSQTLDPAQAQL-------------ALAVSFASQVNAQNALG------------VDMSGNPGGSLFAVGAPAVYANQNNTGSATVDGTQPTTSDYALSYDGAKYTLTDRAT---------SVVGTATPSSTPPTMTIGGLKLSLSSTPNAGDSFTVLPTRG--------ALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGYQLPSGTTTLAYNAASKTLSGFPVGTTVTIAGTPPTSINITSATTPVPYDPSKGASMTISSTTQPAPSGVMNGVSVSLSGTPADGDQFTIGANKGT-------NDGRNALALSQLVNSKTMNNGTTLTGAYAGYVNAIGNAASQLKASSAAQTALVGQITQAQQSVS-

2g38B

0.30

0.08

0.26

2.26

wdPPAS

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

4ut1A

0.09

0.08

0.83

1.01

dPPAS2

---------------------------SNQLNAAQTQGSSLSTYYTLVAQLNNYVGSP-----TAGIATAITNYFTGLQTVANNAADPSARQTAMSNAQTLASQLVAAGQQYSQLRQSVNSQLTDTVTQINSYTSQIAQLNEQIASASSPNQLLDQRDLAVSKLSQLAGV----QVVQSNGNYSVFLSGGQPLVVGNASYQLATVASPSDPSELTIVSKGVAGSAQPGPTQYLPDVS-----------------------LTGGALGGLLAFRSQTLDPAQAQLGALA------------VSFASQVNAQNALGVDMSGNPGGSLFAV-----GAPAVYANQNNTGSATLSVSFVDGTQPTTSDYAKYTLTDRATGS-------------------VVGTATPSSTPPTMTIGGLKLSLSSTPNAGDSFTVLPTRG--------ALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGYQLPSGTTTLAYNAASKTLSGFPVGTTVTIAGTPPTSINITSATTPVPYDPSKGASMTISSTTQPAPSGVMNGVSVSLSGTPADGDQFTIGANKGTN-------DGRNALALSQLVNSKTMNNGTTLTGAYAGYVNAIGNAASQLKASSAAQTALVGQITQAQQSVS-

2g38B

0.30

0.08

0.26

1.18

wMUSTER

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

4b2nA

0.10

0.09

0.92

1.23

PPAS

GKPDSTPLPVD-PRSLVKQGVNSNP--NAALQFNAYFVDLHNPPPPF------VNRLPPRPTCGQFRASATRGRVNLEERQFFQP---MALATSYHFIFLQWGYLIRPPDFEEQVSKRYGLYNPYPLPGEDPNQTNGGSGQLPLGLIQGKDDNGRWTGLIGASCSA-RLGTASEASFKWGLPNSANDAGLLASDMFRTTPITALGNLLPLPWSTGRGSSDAIGLISLLPALFDMETLTLAPSLLEYVADAPHAGMTKAPAWWARTRQFWDGSLSSDNVHSEMAFGVANIFRDANARRGLEDEFEDINNFLISL-SPATYPKTINTALAEQGAVIYHERDLWASGANGAIPKPAGNGSCAS---GVYSPRHAADPNYLPDPRLKGVAAVVTPIETIR--RRMRLMADERQRRAWNSGWWAYNNLSPS------WTGYPSDNIVASELRRVPRAIYNNGGPIYSPLGPNIWEEPTGYIAPPLYGAWATAPYFHNGSVPNLWGVLKPSDRPKLWKRPYTAAGIGGKNAGYDYSKYTAVACNNSIFTSPFLPCTHNMATIDILYSMWDNVAAQYLNLAYQSPP-PITDQQIKSRMVYNSYLYGNDNGGHDFTQ--------SLTDSERWALIEYIKTL---------------------

2g38B

0.30

0.08

0.26

3.36

wPPAS

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

4b2nA

0.11

0.10

0.91

0.95

MUSTER

PLLDQASLPVD-PRSLVKQGVNSNPALQFNAYFVDLHTTCGQFRASATRGRVNLEERQF-FQPMALATSYHFIFLQWLIRPPDFEEQVSKRYGLYPAPFRNPYPLPEDPNQTNGGSGQLPLIQGKDDNGRWTGLIGASCSACHEASFKWGLPNSANDAGLLASDMFRTTPITALGNLLPLPWSTGRGSSDAIGLISLLPALFDMETLTLAPSLLEYVADAPHAGMTKAPAWWARAFKTRQFWDGSLSS-DNVHSEMAFGVANIFRDANARRGLEDEFEDINNFLISLSPATYPKTI------TALAEQGAVIYHERDLWASGAN-----GAIPKPAGNGSCASCHGVYSPRHAADPNYLPDPRLKGVAAVVTPIETIRTDPRRMRLMADERQRRAWNSGW-----WAYNNLSPSWTGYPSDNI---------------VASELRRVP---RAIYNNGGPIYSPLGPNIWEEPTGYIAPPLYGAWATAPYFHNGSVPNLWGVLKPSDRPKLWKRPYTAAGIGGKNAGYDYSFASYDWQKLGWKYTAVACNNSIFTSPFLPCTHNMATIDILYSMWDNVAAQYLNLAYQSPPPITDQQIKSRMV---YNSYLYGNDNG-SLTDSERWALIEYIKTL---------------------

2g38B

0.30

0.08

0.26

2.61

dPPAS2

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

2g38B

0.30

0.08

0.26

2.64

PPAS

---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 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=-1.95

Estimated TM-score = 0.48±0.15

Estimated RMSD = 12.7±4.3Å

Download Model 2

C-score=-1.83

Download Model 3

C-score=-2.48

Download Model 4

C-score=-4.07

Download Model 5

C-score=-2.28

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	0.824	3.12	0.084	0.887
2	3l4mA	0.339	4.24	0.055	0.395
3	1t3tA	0.331	8.07	0.053	0.536
4	2c1vA	0.330	4.41	0.070	0.388
5	2vhdA	0.329	4.13	0.066	0.382
6	2y8nA	0.328	8.31	0.032	0.548
7	1urjB	0.326	7.86	0.055	0.521
8	2vdcA	0.325	8.20	0.047	0.534
9	3ikmD	0.325	7.72	0.041	0.508
10	4bedA	0.324	7.80	0.048	0.514

(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	0.12	4	1ea0A	F3S	Rep, Mult	307,308,309,310,313,314,348,351,352
2	0.03	1	2jstA	HLT	Rep, Mult	33,71
3	0.03	1	2wsc4	CLA	Rep, Mult	298,301
4	0.03	1	1utzA	PF3	Rep, Mult	401,402
5	0.03	1	2eigA	MN	Rep, Mult	373,375,379,401
6	0.03	1	4sbvA	CA	Rep, Mult	375,379
7	0.03	1	4b2nA	HEM	Rep, Mult	242,340,341,344,345,372,376,377,379,475,476,477,478,480,489,490,491,498,501,502,627,631
8	0.03	1	2jstB	HLT	Rep, Mult	33,36,71
9	0.03	1	3i6sA	UUU	Rep, Mult	236,250
10	0.03	1	1siwA	SF4	Rep, Mult	314,353,354,358
11	0.03	1	1lghA	DET	Rep, Mult	37,44
12	0.03	1	2g38B	MN	Rep, Mult	151,154,155
13	0.03	1	3hdlA	UUU	Rep, Mult	115,118

	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	1fdiA	0.313	7.81	0.047	0.495	1.2.1.2	NA
2	0.060	1dgjA	0.307	8.28	0.064	0.511	1.2.-.-	NA
3	0.060	3gtgB	0.316	8.57	0.042	0.536	2.7.7.6	272
4	0.060	2ivfA	0.308	7.98	0.042	0.487	1.17.99.2	NA
5	0.060	2qr5A	0.304	8.29	0.055	0.504	3.4.19.1	NA
6	0.060	1t3tA	0.331	8.07	0.053	0.536	6.3.5.3	179
7	0.060	1r1jA	0.300	8.48	0.050	0.505	3.4.24.11	NA
8	0.060	1ti2A	0.307	7.99	0.033	0.493	1.97.1.2	NA
9	0.060	1g8kE	0.264	8.01	0.034	0.426	1.20.98.1	NA
10	0.060	1iqcD	0.321	4.34	0.053	0.376	1.11.1.5	NA
11	0.060	3lxuX	0.321	7.81	0.073	0.513	3.4.14.10	127,138
12	0.060	1q16A	0.298	7.99	0.048	0.482	1.7.99.4	NA
13	0.060	3hkzJ	0.320	8.36	0.043	0.533	2.7.7.6	187
14	0.060	1ps9A	0.316	8.07	0.060	0.514	1.3.1.34	404
15	0.060	3dwbA	0.302	8.04	0.031	0.490	3.4.24.71	NA
16	0.060	2vhdA	0.329	4.13	0.066	0.382	1.11.1.5	NA
17	0.060	2vdcF	0.313	7.97	0.037	0.504	1.4.1.13	86
18	0.060	1g8kA	0.307	8.23	0.060	0.505	1.20.98.1	151
19	0.060	1ofdA	0.285	8.48	0.028	0.481	1.4.7.1	NA

(a)	Cscore^EC is the confidence score for the EC number prediction. Cscore^EC values range in between [0-1]; where a higher score indicates a more reliable EC number prediction.
(b)	TM-score is a measure of global structural similarity between query and template protein.
(c)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(e)	Cov represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.

Gene Ontology (GO) terms

Rank	Cscore^GO	TM-score	RMSD^a	IDEN^a	Cov	PDB Hit	Associated GO Terms
Homologous GO templates in PDB
0	0.24	0.824	3.12	0.08	0.89	4b2nA	GO:0009055 GO:0020037 GO:0046872
1	0.06	0.339	4.26	0.05	0.40	4fa4B	GO:0009055 GO:0016491 GO:0020037 GO:0042597 GO:0046872 GO:0055114
2	0.06	0.330	4.14	0.08	0.38	4aamA	GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
3	0.06	0.330	4.41	0.07	0.39	2c1vA
4	0.06	0.321	4.35	0.05	0.38	1iqcA	GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0042597 GO:0046872 GO:0055114 GO:0098869
5	0.06	0.329	4.13	0.07	0.38	2vhdA	GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0042597 GO:0046872 GO:0055114 GO:0098869
6	0.06	0.323	4.27	0.06	0.38	3o5cA	GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
7	0.06	0.315	4.33	0.07	0.37	3hq6A	GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
8	0.06	0.311	4.25	0.08	0.36	1nmlA	GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114
9	0.06	0.302	4.16	0.07	0.35	3hq7A	GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
10	0.06	0.303	4.28	0.08	0.35	4aaoA	GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
11	0.06	0.299	4.55	0.06	0.35	1zzhB
12	0.06	0.316	8.16	0.04	0.51	4lgyA	GO:0000166 GO:0004642 GO:0005524 GO:0005737 GO:0006164 GO:0006189 GO:0006541 GO:0009156 GO:0016874 GO:0046872
13	0.06	0.325	7.72	0.04	0.51	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
14	0.06	0.254	7.89	0.06	0.40	3viuA	GO:0000166 GO:0000287 GO:0004642 GO:0005524 GO:0005737 GO:0006164 GO:0006189 GO:0016874 GO:0046872
15	0.06	0.259	7.93	0.04	0.41	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	0.249	7.89	0.04	0.40	2hruA	GO:0000166 GO:0000287 GO:0004642 GO:0005524 GO:0005737 GO:0006164 GO:0006189 GO:0006541 GO:0009156 GO:0016874 GO:0046872
17	0.06	0.233	8.37	0.03	0.39	1r9jB	GO:0003824 GO:0004802 GO:0008152 GO:0016740 GO:0046872
18	0.06	0.205	7.00	0.05	0.30	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

Consensus prediction of GO terms

Molecular Function	GO:0009055	GO:0020037	GO:0046872
GO-Score	0.38	0.38	0.38
Biological Processes	GO:0044710
GO-Score	0.36
Cellular Component	GO:0042597
GO-Score	0.12

(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.