I-TASSER results

I-TASSER results for job id Rv2226

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

Input Sequence in FASTA format

>protein (513 residues)
MPVEAPRPARHLEVERKFDVIESTVSPSFEGIAAVVRVEQSPTQQLDAVYFDTPSHDLAR
NQITLRRRTGGADAGWHLKLPAGPDKRTEMRAPLSASGDAVPAELLDVVLAIVRDQPVQP
VARISTHRESQILYGAGGDALAEFCNDDVTAWSAGAFHAAGAADNGPAEQQWREWELELV
TTDGTADTKLLDRLANRLLDAGAAPAGHGSKLARVLGATSPGELPNGPQPPADPVHRAVS
EQVEQLLLWDRAVRADAYDAVHQMRVTTRKIRSLLTDSQESFGLKESAWVIDELRELADV
LGVARDAEVLGDRYQRELDALAPELVRGRVRERLVDGARRRYQTGLRRSLIALRSQRYFR
LLDALDALVSERAHATSGEESAPVTIDAAYRRVRKAAKAAKTAGDQAGDHHRDEALHLIR
KRAKRLRYTAAATGADNVSQEAKVIQTLLGDHQDSVVSREHLIQQAIAANTAGEDTFTYG
LLYQQEADLAERCREQLEAALRKLDKAVRKARD

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MPVEAPRPARHLEVERKFDVIESTVSPSFEGIAAVVRVEQSPTQQLDAVYFDTPSHDLARNQITLRRRTGGADAGWHLKLPAGPDKRTEMRAPLSASGDAVPAELLDVVLAIVRDQPVQPVARISTHRESQILYGAGGDALAEFCNDDVTAWSAGAFHAAGAADNGPAEQQWREWELELVTTDGTADTKLLDRLANRLLDAGAAPAGHGSKLARVLGATSPGELPNGPQPPADPVHRAVSEQVEQLLLWDRAVRADAYDAVHQMRVTTRKIRSLLTDSQESFGLKESAWVIDELRELADVLGVARDAEVLGDRYQRELDALAPELVRGRVRERLVDGARRRYQTGLRRSLIALRSQRYFRLLDALDALVSERAHATSGEESAPVTIDAAYRRVRKAAKAAKTAGDQAGDHHRDEALHLIRKRAKRLRYTAAATGADNVSQEAKVIQTLLGDHQDSVVSREHLIQQAIAANTAGEDTFTYGLLYQQEADLAERCREQLEAALRKLDKAVRKARD
Prediction	CCCCCCCCCCEEEEEEEHCCCCCCHHHHHHHHHHHHHCCCCCEEEEEEEEHCCCHHHHHHHCCEEEEEHCCCEEEEEEEHCCCCCCCCEEEHCCCCCCCCCCHHHHHHHHHHHCCCCCEEEEEEEEEEEEEEEEHCCCCEEEEEEHCEEEHCCCCCCCCCCEEHCCCCCCCEEEEEEEHCCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHCCHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCC
Conf.Score	998899887546788876489754678888656655456775799999987695599998797899975599589999847888877657647888877788688998888765777546999999999999996899689999964555445666666655555765455567888755787567999999999988776565445554555545677777667777778999999999999999999888886886689999999999999999998657857889999999999999876655999999999999975555555579999999999999999999999986999999999999999868877765455789999999999999999999976567889999999999999999877654565699999999999998998999999999999997588757899999999999999999999999999999998877579
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MPVEAPRPARHLEVERKFDVIESTVSPSFEGIAAVVRVEQSPTQQLDAVYFDTPSHDLARNQITLRRRTGGADAGWHLKLPAGPDKRTEMRAPLSASGDAVPAELLDVVLAIVRDQPVQPVARISTHRESQILYGAGGDALAEFCNDDVTAWSAGAFHAAGAADNGPAEQQWREWELELVTTDGTADTKLLDRLANRLLDAGAAPAGHGSKLARVLGATSPGELPNGPQPPADPVHRAVSEQVEQLLLWDRAVRADAYDAVHQMRVTTRKIRSLLTDSQESFGLKESAWVIDELRELADVLGVARDAEVLGDRYQRELDALAPELVRGRVRERLVDGARRRYQTGLRRSLIALRSQRYFRLLDALDALVSERAHATSGEESAPVTIDAAYRRVRKAAKAAKTAGDQAGDHHRDEALHLIRKRAKRLRYTAAATGADNVSQEAKVIQTLLGDHQDSVVSREHLIQQAIAANTAGEDTFTYGLLYQQEADLAERCREQLEAALRKLDKAVRKARD
Prediction	655645644421000010202572225105403512525544334040101000021014130000001446310000001113230310123064545302430152025203622020002030301112022562310000001313234344334424144453422000000103443342134024301411232121223212322232222233223324211110011001200210030020022422310130010010000003002410446314402510240052253122100004203510462254134440152025104510440143025104162024004203500642423542652243004101410230042035216415565223200300320130000021240440053035006203410000001310351155363333200000001220452054026304600550451043148
	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

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

Sec.Str
Seq

CCCCCCCCCCEEEEEEEHCCCCCCHHHHHHHHHHHHHCCCCCEEEEEEEEHCCCHHHHHHHCCEEEEEHCCCEEEEEEEHCCCCCCCCEEEHCCCCCCCCCCHHHHHHHHHHHCCCCCEEEEEEEEEEEEEEEEHCCCCEEEEEEHCEEEHCCCCCCCCCCEEHCCCCCCCEEEEEEEHCCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHCCHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCC
MPVEAPRPARHLEVERKFDVIESTVSPSFEGIAAVVRVEQSPTQQLDAVYFDTPSHDLARNQITLRRRTGGADAGWHLKLPAGPDKRTEMRAPLSASGDAVPAELLDVVLAIVRDQPVQPVARISTHRESQILYGAGGDALAEFCNDDVTAWSAGAFHAAGAADNGPAEQQWREWELELVTTDGTADTKLLDRLANRLLDAGAAPAGHGSKLARVLGATSPGELPNGPQPPADPVHRAVSEQVEQLLLWDRAVRADAYDAVHQMRVTTRKIRSLLTDSQESFGLKESAWVIDELRELADVLGVARDAEVLGDRYQRELDALAPELVRGRVRERLVDGARRRYQTGLRRSLIALRSQRYFRLLDALDALVSERAHATSGEESAPVTIDAAYRRVRKAAKAAKTAGDQAGDHHRDEALHLIRKRAKRLRYTAAATGADNVSQEAKVIQTLLGDHQDSVVSREHLIQQAIAANTAGEDTFTYGLLYQQEADLAERCREQLEAALRKLDKAVRKARD

5a60A

0.18

0.14

0.79

1.86

MUSTER

--------AMAQEIELKFIVNHSAVEALRDHLNT-LGGEHHDPVQLLNIYYETPDNWLRGHDMGLRIRGENGRYEMTMKVAGGLHQRPEYNVALSEPTLDLPTEVWPNGELPDLASRVQPLFSTDFYREKWLVAVDD--SRIEIALDQGEVKAG------------EFAEPICELELELLSGDTRAVLKLANQLVSQLRQGSLSKAARGYHLAQGNPAREIKPTTILHADVEQGLEAAFELALAQWQYHEELWVRGNDAAKEQVLAAIGLVRHALMLFGGIVPRKASTHLRDLLTQCEATIASAVS------------------------------------------AVTAVYSTETAMAKLALTEWLVSKAWQPFLDAKAQGKISDFKRFADIHLSRHAAELKSVFCQPLGDRYHDQLPRLTRDIDSILLLVAQAWLENWQGLRHAIATGQRIEIEHFRNEANNQEPFWL-----------------------------------------

5a60A

0.17

0.14

0.79

1.71

dPPAS

--------AMAQEIELKFIVNHSAVEALRDHLNTL-GGEHHDPVQLLNIYYETPDNWLRGHDMGLRIRGENGRYEMTMKVAGGLHQRPEYNVALSEPTLDLAQLPTEVWPNGELPADLQPLFSTDFYREKWLVAVDD--SRIEIALDQGEVKAG------------EFAEPICELELELLSGDTRAVLKLANQLVSQLRQGSLSKAARGYHLAQGEIKPTTILHVAAKADVEQGLEAAFELALAQWQYHEELWVRGNDAAKEQVLAAIGLVRHALMLFGGIVPRKASTHLRDLLTQCEATIASAVS------------------------------------------AVTAVYSTETAMAKLALTEWLVSKAWQPFLDAKAQGKISDFKRFADIHLSRHAAELKSVFCQPLGDRYHDQLPRLTRDIDSILLLAAQAWLENWQGLRHAIATGQRIEIEHFRNEANNQEPFWL-----------------------------------------

5a60A

0.17

0.13

0.79

3.30

wdPPAS

--------AMAQEIELKFIVNHSAVEALRDHLNTL-GGEHHDPVQLLNIYYETPDNWLRGHDMGLRIRGENGRYEMTMKVAGGLHQRPEYNVALSEPTLDLPTEVWPNELPADLASRVQPLFSTDFYREKWLVAVDD--SRIEIALDQGEVKAG------------EFAEPICELELELLSGDTRAVLKLANQLVSQTGLRQGSLSKAARGYHLAEIKPTTILHVAAKADVEQGLEAAFELALAQWQYHEELWVRGNDAAKEQVLAAIGLVRHALMLFGGIVPRKASTHLRDLLTQCEATIASAVSAVTAVYS------------------------------------------TETAMAKLALTEWLVSKAWQPFLDKISDSFKRFADIHLSRHAAELKSVFCQP----LGDRYHDQLPRLTRDIDSILLLAAQAWLENWQGLRHAIATGQRIEIEHFRNEANNQEPFWL-----------------------------------------

5a60A

0.18

0.14

0.78

2.38

wMUSTER

M---------AQEIELKFIVNHSAVEALRDHLNTL-GGEHHDPVQLLNIYYETPDNWLRGHDMGLRIRGENGRYEMTMKVAGGLHQRPEYNVALSEPTLDLPTEVWPNGELPDLASRVQPLFSTDFYREKWLVAVDD--SRIEIALDQGEVKAG------------EFAEPICELELELLSGDTRAVLKLANQLVSQLRQGSLSKAARGYHLAQGNIKPTTILHVAAKADVEQGLEAAFELALAQWQYHEELWVRGNDAAKEQVLAAIGLVRHALMLFGGIVPRKASTHLRDLLTQCEATIASAVSAVTAVYS------------------------------------------TETAMAKLALTEWLVSKAWQPFLDKISDSFKRFADIHLSRHAAELKSVFCQPLGDR----YHDQLPRLTRDIDSILLLVAQAWLENWQGLRHAIATGQRIEIEHFRNEANNQEP--------------------------------------------

5a60A

0.17

0.13

0.78

4.64

wPPAS

--------AMAQEIELKFIVNHSAVEALRDHLNTL-GGEHHDPVQLLNIYYETPDNWLRGHDMGLRIRGENGRYEMTMKVAGGLHQRPEYNVALSEPTLDLPTEVWPNELPADLASRVQPLFSTDFYREKWLVAVDD--SRIEIALDQGEVKAG------------EFAEPICELELELLSGDTRAVLKLANQLVSQTGLRQGSLSKAARGYHLAEIKPTTILHVAAKADVEQGLEAAFELALAQWQYHEELWVRGNDAAKEQVLAAIGLVRHALMLFGGIVPRKASTHLRDLLTQCEATIASAVSAVTAVYS------------------------------------------TETAMAKLALTEWLVSKAWQPFLDKISDSFKRFADIHLSRHAAELKSVFCQP----LGDRYHDQLPRLTRDIDSILLLAAQAWLENWQGLRHAIATGQRIEIEHFRNEANNQEPF-----------L-------------------------------

5a60A

0.18

0.14

0.79

3.48

dPPAS2

--------AMAQEIELKFIVNHSAVEALRDHLNTL-GGEHHDPVQLLNIYYETPDNWLRGHDMGLRIRGENGRYEMTMKVAGGLHQRPEYNVALSEPTLDLPTEVWPNGEPADLASRVQPLFSTDFYREKWLVAVDD--SRIEIALDQGEVKAG------------EFAEPICELELELLSGDTRAVLKLANQLVSQLRQGSLSKAARGYHLAQGEIKPTTILHVAAKADVEQGLEAAFELALAQWQYHEELWVRGNDAAKEQVLAAIGLVRHALMLFGGIVPRKASTHLRDLLTQCEATIASAVS------------------------------------------AVTAVYSTETAMAKLALTEWLVSKAWQPFLDAKAQGKISDFKRFADIHLSRHAAELKSVFCQPLGDRYHDQLPRLTRDIDSILLLAAQAWLENWQGLRHAIATGQRIEIEHFRNEANNQEPFWL-----------------------------------------

5a60A

0.18

0.14

0.79

3.40

PPAS

--------AMAQEIELKFIVNHSAVEALRDHLNTL-GGEHHDPVQLLNIYYETPDNWLRGHDMGLRIRGENGRYEMTMKVAGGLHQRPEYNVALSEPTLDLPTEVWPNGELPDLASRVQPLFSTDFYREKWLVAVDD--SRIEIALDQGEVKAG------------EFAEPICELELELLSGDTRAVLKLANQLVSQTRQGSLSKAARGYHLAQGEIKPTTILHVAAKADVEQGLEAAFELALAQWQYHEELWVRGNDAAKEQVLAAIGLVRHALMLFGGIVPRKASTHLRDLLTQCEATIASAVSAVTAVYS------------------------------------------TETAMAKLALTEWLVSKAWQPFLDKISDSFKRFADIHLSRHAAELKSVFCQPLGDR----YHDQLPRLTRDIDSILLLAAQAWLENWQGLRHAIATGQRIEIEHFRNEANNQEPFWL-----------------------------------------

5a60A

0.18

0.14

0.79

4.66

Env-PPAS

--------AMAQEIELKFIVNHSAVEALRDHLNTL-GGEHHDPVQLLNIYYETPDNWLRGHDMGLRIRGENGRYEMTMKVAGGLHQRPEYNVALSEPTLDLPTEVWPNGELPDLASRVQPLFSTDFYREKWLVAV--DDSRIEIALDQGEVKAG------------EFAEPICELELELLSGDTRAVLKLANQLVSQLRQGSLSKAARGYHLAQGNPAREIILHVAAKADVEQGLEAAFELALAQWQYHEELWVRGNDAAKEQVLAAIGLVRHALMLFGGIVPRKASTHLRDLLTQCEATIASAVS------------------------------------------AVTAVYSTETAMAKLALTEWLVSKAWQPFLDAKAQGKISDFKRFADIHLSRHAAELKSVFCQPLGDRYHDQLPRLTRDIDSILLLVAQAWLENWQGLRHAIATGQRIEIEHFRNEANNQEPFWL-----------------------------------------

3e0sA

0.22

0.12

0.54

1.45

MUSTER

------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LQLDAHASIHENVRRLLQFTTSIMEANEEGIRKDDSEFLHDFRVAIRRSRSILRLLNGVFDPEKTAWMLAGLRELGKRTNDLRDSDVYLLRREEYTSLLPPSLR--PALDPFFSDLEADKRLHHRQFCRYLTGREYSGFMTSLKEFIAEGELPETAPLAAEPTGDVAAKTIRKALKKVLVHGRS------DAELHELRIDCKKLRYLLEFFATAQVLRQMKTLQDNLGTFVDLTVQMEFLQSRLET----ISEAAAIGGLLTTLYRKREKVREHFHEIFSGFNETGELFDE

3e0sA

0.21

0.12

0.55

1.54

dPPAS

------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LQLDAHASIHENVRRLLQFTTSIMEANEEGIRKDDSEFLHDFRVAIRRSRSILRLLNGVFDPEKTAWMLAGLRELGKRTNDLRDSDVYLLRREEYTSLLPPS--LRPALDPFFSDLEADKRLHHRQFCRYLTGREYSGFMTSLKEFIAEGELPDPAPLAAEPTGDVAAKTIRKALKKVLVHGRSD------AELHELRIDCKKLRYLLEFFATAQVLRQMKTLQDNLGTFVDLTVQMEFLQSRLETISEAAAIGGLLTTLYRKREKVREHFHEIFSGFDNETGELFDELLT

(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=0.03

Estimated TM-score = 0.72±0.11

Estimated RMSD = 7.3±4.2Å

Download Model 2

C-score=-1.90

Download Model 3

C-score=-1.68

Download Model 4

C-score=-0.09

Download Model 5

C-score=-3.27

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	5a60A	0.774	1.36	0.179	0.793
2	3e0sA	0.412	3.85	0.184	0.487
3	3cfrA	0.378	7.80	0.054	0.653
4	3hhsB	0.365	7.51	0.060	0.597
5	4m8oA	0.364	7.27	0.029	0.585
6	4yzwA	0.362	7.85	0.048	0.618
7	4l37A	0.360	7.41	0.035	0.575
8	3rimA	0.360	7.17	0.031	0.573
9	4zhjA	0.360	6.99	0.049	0.557
10	2dqmA	0.359	7.80	0.046	0.616

(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	0.20	7	5a61A	MN	Rep, Mult	13,15,176,178
2	0.06	2	5a60A	3PO	Rep, Mult	13,15,17,66,68,79,87,126,128,176,204,205
3	0.05	2	3tvlB	3PO	Rep, Mult	17,50,66,68,79,128,174,210,211
4	0.03	1	2oyqA	N5P	Rep, Mult	268,269,270,362
5	0.03	1	3r33A	CA	Rep, Mult	52,53
6	0.03	1	3spyA	MG	Rep, Mult	418,445,446,448
7	0.03	1	1ih7A	GMP	Rep, Mult	411,445,449,453,457,458
8	0.03	1	3cq8A	TTP	Rep, Mult	294,362,366
9	0.03	1	3e27A	MG	Rep, Mult	52,68
10	0.03	1	3g3rB	MN	Rep, Mult	17,174
11	0.03	1	2oyqD	QNA	Rep, Mult	302,306,307,308

	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	1bf2A	0.338	7.62	0.036	0.569	3.2.1.68	NA
2	0.060	1aroP	0.302	7.77	0.056	0.513	2.7.7.6	NA
3	0.060	1ug9A	0.327	7.73	0.034	0.550	3.2.1.70	NA
4	0.060	1ay0A	0.339	7.42	0.038	0.554	2.2.1.1	NA
5	0.060	1f1sA	0.357	7.14	0.056	0.565	4.2.2.1	NA
6	0.060	2vr5A	0.337	7.22	0.041	0.538	3.2.1.-	NA
7	0.060	1llwA	0.351	7.50	0.051	0.575	1.4.7.1	NA
8	0.060	2rnpC	0.319	7.22	0.021	0.507	2.7.7.6	NA
9	0.060	1bglA	0.301	7.55	0.050	0.493	3.2.1.23	441,479
10	0.060	1ofdA	0.351	7.62	0.047	0.583	1.4.7.1	NA
11	0.060	1trkA	0.339	7.39	0.041	0.554	2.2.1.1	258,269,449
12	0.060	3fedA	0.351	7.20	0.055	0.557	3.4.17.21	NA
13	0.060	1n1hA	0.323	7.82	0.041	0.540	2.7.7.48	NA
14	0.060	2w5fB	0.340	7.48	0.040	0.559	3.2.1.8	NA
15	0.060	1mswD	0.270	7.85	0.055	0.460	2.7.7.6	NA
16	0.060	1i8qA	0.356	7.22	0.051	0.567	4.2.2.1	301
17	0.060	2agsA	0.342	7.57	0.044	0.575	3.2.1.18	86,122
18	0.060	1t3tA	0.336	7.86	0.031	0.577	6.3.5.3	NA
19	0.060	1l1lA	0.348	7.95	0.063	0.598	1.17.4.2	89

(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	0.34	0.774	1.36	0.18	0.79	5a60A	GO:0016787 GO:0046872 GO:0050355
1	0.06	0.376	7.87	0.07	0.64	4i9qB	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
2	0.06	0.360	7.42	0.04	0.59	3cfoA	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
3	0.06	0.353	7.84	0.07	0.61	2oyqA	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
4	0.06	0.354	7.58	0.06	0.60	2atqA	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
5	0.06	0.348	8.11	0.04	0.61	2p5oB	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
6	0.06	0.341	7.61	0.05	0.57	2gv9B	GO:0000166 GO:0003676 GO:0003677 GO:0003824 GO:0003887 GO:0004518 GO:0004519 GO:0004523 GO:0006260 GO:0008152 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0042025 GO:0071897 GO:0090305 GO:0090502
7	0.06	0.322	7.90	0.04	0.55	1d5aA	GO:0000166 GO:0003676 GO:0003677 GO:0003824 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008152 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0046872 GO:0071897 GO:0090305
8	0.06	0.334	7.45	0.07	0.55	1tgoA	GO:0000166 GO:0003676 GO:0003677 GO:0003824 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008152 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0071897 GO:0090305
9	0.06	0.338	8.05	0.05	0.59	4fxdA	GO:0000166 GO:0000731 GO:0001882 GO:0003676 GO:0003677 GO:0003887 GO:0005634 GO:0005657 GO:0005658 GO:0006260 GO:0006270 GO:0006272 GO:0006273 GO:0006278 GO:0006279 GO:0006302 GO:0006303 GO:0008408 GO:0016740 GO:0016779 GO:0046872 GO:0051536 GO:0051539 GO:0090305
10	0.06	0.325	7.42	0.07	0.53	5exrC	GO:0000082 GO:0000083 GO:0000166 GO:0000722 GO:0000731 GO:0000785 GO:0001882 GO:0003676 GO:0003677 GO:0003682 GO:0003887 GO:0003896 GO:0005634 GO:0005635 GO:0005654 GO:0005658 GO:0005730 GO:0005737 GO:0006260 GO:0006269 GO:0006270 GO:0006271 GO:0006272 GO:0006273 GO:0006281 GO:0006303 GO:0008283 GO:0008408 GO:0016032 GO:0016363 GO:0016740 GO:0016779 GO:0019901 GO:0046872 GO:0046982 GO:0051536 GO:0051539 GO:0071897 GO:0090305
11	0.06	0.350	7.80	0.05	0.59	3iayA	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0005634 GO:0005657 GO:0005829 GO:0006260 GO:0006278 GO:0006287 GO:0006297 GO:0008296 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0043137 GO:0043625 GO:0044281 GO:0045004 GO:0045005 GO:0046872 GO:0051536 GO:0051539 GO:0090305
12	0.06	0.338	7.47	0.07	0.56	3a2fA	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004519 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0071897 GO:0090305
13	0.06	0.334	7.46	0.05	0.55	1wn7A	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0071897 GO:0090305
14	0.06	0.319	7.88	0.04	0.55	1s5jA	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0071897 GO:0090305
15	0.06	0.318	7.79	0.05	0.54	3k5nA	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0006261 GO:0006281 GO:0006974 GO:0008296 GO:0008408 GO:0009432 GO:0016740 GO:0016779 GO:0045004 GO:0071897 GO:0090305
16	0.06	0.304	8.15	0.04	0.54	4fluA	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0071897 GO:0090305
17	0.06	0.328	7.60	0.03	0.55	3k57A	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0006261 GO:0006281 GO:0006974 GO:0008296 GO:0008408 GO:0009432 GO:0016740 GO:0016779 GO:0045004 GO:0071897 GO:0090305
18	0.06	0.314	7.82	0.04	0.53	1qhtA	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0071897 GO:0090305

Consensus prediction of GO terms

Molecular Function	GO:0004527	GO:1901265	GO:0036094	GO:0003676	GO:0034061	GO:0046872	GO:0050355
GO-Score	0.47	0.47	0.47	0.47	0.47	0.34	0.34
Biological Processes	GO:0034654	GO:0019079	GO:0044034	GO:0006261
GO-Score	0.47	0.47	0.47	0.47
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.