I-TASSER results

I-TASSER results for job id Rv0109

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

Input Sequence in FASTA format

>protein (496 residues)
MSLLITSPATVAAAATHLAGIGSALSTANAAAAAPTTALSVAGADEVSVLIAALFEAYAQ
EYQALSAQALAFHDQFVQALNMGAVCYAAAETANATPLQALQTVQQNVLTVVNAPTQALL
GRPIIGNGANGLPNTGQDGGPGGLLFGNGGNGGSGGVDQAGGNGGAAGLIGNGGSGGVGG
PGIAGSAGGAGGAGGLLFGNGGPGGAGGIGTTGDGGPGGAGGNAIGLFGSGGTGGMGGVG
GMGGVGNGGNAGNGGTAGLFGHGGAGGAGGIGSADGGLGGGGGNGRFMGNGGVGGAGGYG
ASGDGGNAGNGGLGGVFGDGGAGGTGGLGDVNGGLAGIGGNAGFVRNGGAGGNGQLGSGA
VSSAGGMGGNGGLVFGNGGPGGLGGPGTSAGNGGMGGNAVGLFGQGGAGGAGGSGFGAGI
PGGRGGDGGSGGLIGDGGTGGGAGAGDAAASAGGNGGNARLIGNGGDGGPGMFGGPGGAG
GSGGTIFGFAGTPGPS

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSLLITSPATVAAAATHLAGIGSALSTANAAAAAPTTALSVAGADEVSVLIAALFEAYAQEYQALSAQALAFHDQFVQALNMGAVCYAAAETANATPLQALQTVQQNVLTVVNAPTQALLGRPIIGNGANGLPNTGQDGGPGGLLFGNGGNGGSGGVDQAGGNGGAAGLIGNGGSGGVGGPGIAGSAGGAGGAGGLLFGNGGPGGAGGIGTTGDGGPGGAGGNAIGLFGSGGTGGMGGVGGMGGVGNGGNAGNGGTAGLFGHGGAGGAGGIGSADGGLGGGGGNGRFMGNGGVGGAGGYGASGDGGNAGNGGLGGVFGDGGAGGTGGLGDVNGGLAGIGGNAGFVRNGGAGGNGQLGSGAVSSAGGMGGNGGLVFGNGGPGGLGGPGTSAGNGGMGGNAVGLFGQGGAGGAGGSGFGAGIPGGRGGDGGSGGLIGDGGTGGGAGAGDAAASAGGNGGNARLIGNGGDGGPGMFGGPGGAGGSGGTIFGFAGTPGPS
Prediction	CCEEHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	9667645799999999988887789998877655554445677776457788888876567778877788999999999987666555555667788777777766555667777545788888988888888899999999988888999988999999999999999999999999999999999999999999999999999998889999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999888999999999
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSLLITSPATVAAAATHLAGIGSALSTANAAAAAPTTALSVAGADEVSVLIAALFEAYAQEYQALSAQALAFHDQFVQALNMGAVCYAAAETANATPLQALQTVQQNVLTVVNAPTQALLGRPIIGNGANGLPNTGQDGGPGGLLFGNGGNGGSGGVDQAGGNGGAAGLIGNGGSGGVGGPGIAGSAGGAGGAGGLLFGNGGPGGAGGIGTTGDGGPGGAGGNAIGLFGSGGTGGMGGVGGMGGVGNGGNAGNGGTAGLFGHGGAGGAGGIGSADGGLGGGGGNGRFMGNGGVGGAGGYGASGDGGNAGNGGLGGVFGDGGAGGTGGLGDVNGGLAGIGGNAGFVRNGGAGGNGQLGSGAVSSAGGMGGNGGLVFGNGGPGGLGGPGTSAGNGGMGGNAVGLFGQGGAGGAGGSGFGAGIPGGRGGDGGSGGLIGDGGTGGGAGAGDAAASAGGNGGNARLIGNGGDGGPGMFGGPGGAGGSGGTIFGFAGTPGPS
Prediction	3110000011010002103402200210110001000000212220000000000130042013002200200210020012012000000212221233242223201310321021003341145534444434244422122134444244444344225245344335335244444444345434423423425625414524444515524514516534523524514424524614415614515614514615525515514616524514515525514525424624614615615514514614616614525514524713433443642544624515615515614514514516524524625524514424524524425544126154155255265244234224346425624616515625515624615524614525524624514414525424524514334147244248
	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

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

Sec.Str
Seq

CCEEHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MSLLITSPATVAAAATHLAGIGSALSTANAAAAAPTTALSVAGADEVSVLIAALFEAYAQEYQALSAQALAFHDQFVQALNMGAVCYAAAETANATPLQALQTVQQNVLTVVNAPTQALLGRPIIGNGANGLPNTGQDGGPGGLLFGNGGNGGSGGVDQAGGNGGAAGLIGNGGSGGVGGPGIAGSAGGAGGAGGLLFGNGGPGGAGGIGTTGDGGPGGAGGNAIGLFGSGGTGGMGGVGGMGGVGNGGNAGNGGTAGLFGHGGAGGAGGIGSADGGLGGGGGNGRFMGNGGVGGAGGYGASGDGGNAGNGGLGGVFGDGGAGGTGGLGDVNGGLAGIGGNAGFVRNGGAGGNGQLGSGAVSSAGGMGGNGGLVFGNGGPGGLGGPGTSAGNGGMGGNAVGLFGQGGAGGAGGSGFGAGIPGGRGGDGGSGGLIGDGGTGGGAGAGDAAASAGGNGGNARLIGNGGDGGPGMFGGPGGAGGSGGTIFGFAGTPGPS

1vt4I3

0.40

1.00

3.09

MUSTER

LIPPYLDQYFYSHIGHHLKNIEHPERMTLFRMVFLDFRFLASGS-QQLKFYKPYICDNDPKYERLVNAILDFLPKYTDLLRIALEAIFEEAHKQVQGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.40

0.39

0.98

3.60

dPPAS

SGSILNTLQQLKFYKPYICDNDPKYERLVNAILDFLPKIEENLICSKYTDLLRIALMAEDE------------AIFEEAHKQVQRGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.41

0.99

4.07

wMUSTER

PPYL-IGHHLKNIEHPERMTLFLDFRFLEQKIRHDSTAWNASGSDNYERLVNAILDFLPKKYTDLLRIALM--DEAIFEEAHKQVQR-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

3jacA1

0.52

0.36

0.70

6.12

wPPAS

-------------------------------------------------------------------------------------------------------------------------------GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-----GGGGGGGGGGGGG-------------GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGG--

1vt4I3

0.42

0.41

0.97

5.60

PPAS

KN--IEHPERMTLF-LDFRFLEQKIR---------STAWNASGSDN-ERLVNAILDFLPKKYTDLLRIAL---AIFEEAHKQVQRGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

3jacA1

0.52

0.36

0.69

2.48

MUSTER

----------------------------------------------------------------------------------------------------------------------------------------------------GGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.41

0.40

0.97

5.79

wPPAS

LKF---KPYICDN---DPKYERLVNAILDFLPKIEENLICSKYTDLLRIALMA-------EDEAIFEEAHKQVQRGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

3jacA1

0.52

0.36

0.70

6.56

dPPAS2

-------------------------------------------------------------------------------------------------------------------------------GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG----GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG----------------

1vt4I3

0.41

0.40

0.96

4.94

wdPPAS

LN---LQQLKFYKPYICDNDPKYERLVNAILDFLPKIEENLICSK----------------YTDLLRIALMAEDEAIFEEAHKQVQRGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

3jacA1

0.52

0.36

0.70

5.31

PPAS

----------------------------------------------------------------------------------------------------------------------------------------GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-----GGGGGGGGGGGGGGGGGGGG----GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGG--

(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=-1.23

Estimated TM-score = 0.56±0.15

Estimated RMSD = 10.2±4.6Å

Download Model 2

C-score=-0.88

Download Model 3

C-score=-3.09

Download Model 4

C-score=-3.19

Download Model 5

C-score=-3.05

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	1vt4I	0.874	2.86	0.404	0.954
2	3iytA	0.670	3.98	0.053	0.778
3	2ymuA	0.578	4.33	0.070	0.683
4	4nsxA	0.574	4.68	0.065	0.712
5	2ebsB	0.568	4.74	0.078	0.714
6	3a0fA	0.567	4.77	0.078	0.712
7	1pevA	0.562	4.47	0.095	0.681
8	4ci8A	0.556	4.83	0.068	0.704
9	2oajA	0.555	5.32	0.054	0.746
10	1pguB	0.542	4.40	0.081	0.663

(a)	Query structure is shown in cartoon, while the structural analog is displayed using backbone trace.
(b)	Ranking of proteins is based on TM-score of the structural alignment between the query structure and known structures in the PDB library.
(c)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(e)	Cov represents the coverage of the alignment by TM-align and is equal to the number of structurally aligned residues divided by length of the query protein.

Predicted function using COACH

(This section reports biological annotations of the target protein by COACH based on the I-TASSER structure prediction. COACH is a meta-server approach that combines multiple function annotation results from the COFACTOR, TM-SITE and S-SITE programs.)

Ligand binding sites

Rank	C-score	Cluster size	PDB Hit	Lig Name	Download Complex	Ligand Binding Site Residues
1	0.08	4	2ce9A	III	Rep, Mult	108,110,151,153,169,221,237,262,303,324,349
2	0.06	3	3sbpA	CUA	Rep, Mult	322,324,332,335
3	0.04	2	1af0A	CA	Rep, Mult	379,380,381,393,394,395
4	0.04	2	4j77A	III	Rep, Mult	149,153,169,218,219,221,237,259,260,277,303,324
5	0.02	1	3sbpB	CUA	Rep, Mult	437,445,448,461
6	0.02	1	4v0oF	PB	Rep, Mult	113,155,156,352
7	0.02	1	3sbpD	IMD	Rep, Mult	277,278,279,301,324,325
8	0.02	1	1om7A	CA	Rep, Mult	295,297,306,308
9	0.02	1	1g9kA	CA	Rep, Mult	300,301,302,303,305,323,330
10	0.02	1	2zvdA	CA	Rep, Mult	103,105,125,126,134,138
11	0.02	1	1satA	CA	Rep, Mult	337,338,339,341,359
12	0.02	1	2iwfA	NA	Rep, Mult	111,112,113,306,351,352,353
13	0.02	1	3fvzA	CA	Rep, Mult	112,155,350
14	0.02	1	1go7P	CA	Rep, Mult	393,394,395,396,398,415,427
15	0.02	1	1g9kA	CA	Rep, Mult	283,284,285,294,295,296
16	0.02	1	2o9kA	III	Rep, Mult	108,109,110,153,169,237,304,365,366
17	0.02	1	1sqj0	III	Rep, Mult	228,243,287,288,289,290,291
18	0.02	1	3odtA	CA	Rep, Mult	108,365,371

	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	3g0bB	0.422	5.94	0.023	0.587	3.4.14.5	NA
2	0.060	2w68C	0.190	5.15	0.102	0.252	3.2.1.18	157
3	0.060	1k32A	0.461	5.06	0.032	0.599	3.4.21.-	NA
4	0.060	1r9mB	0.421	5.88	0.026	0.583	3.4.14.5	275
5	0.060	1simA	0.430	4.18	0.052	0.522	3.2.1.18	NA
6	0.060	3fsnB	0.424	5.13	0.042	0.550	5.2.1.7	NA
7	0.060	3gvjA	0.423	4.63	0.048	0.528	3.2.1.129	408,447
8	0.060	1orvA	0.423	6.06	0.029	0.593	3.4.14.5	NA
9	0.060	1qksB	0.449	5.09	0.047	0.589	1.7.2.1	304,332,351
10	0.060	1kb0A	0.463	4.62	0.062	0.579	1.1.99.-	NA
11	0.060	1lrwA	0.419	5.03	0.042	0.536	1.1.99.8	NA
12	0.060	2qr5A	0.457	4.63	0.086	0.573	3.4.19.1	NA
13	0.060	2ebsB	0.568	4.74	0.078	0.714	3.2.1.150	319
14	0.060	1st8A	0.418	5.41	0.076	0.562	3.2.1.80	NA
15	0.060	1aomB	0.449	5.04	0.047	0.587	1.7.99.1,1.7.2.1	262
16	0.060	2h47H	0.458	3.90	0.068	0.542	1.4.99.4	NA
17	0.060	1s0kA	0.392	5.86	0.051	0.552	3.2.1.18	288,290
18	0.060	1fwxA	0.501	4.98	0.054	0.625	1.7.99.6	NA
19	0.060	1kitA	0.436	5.52	0.060	0.589	3.2.1.18	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	0.17	0.578	4.33	0.07	0.68	2ymuA	GO:0016020 GO:0016021
1	0.07	0.607	4.66	0.06	0.76	3j2tA	GO:0000166 GO:0001666 GO:0001843 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006915 GO:0006919 GO:0007275 GO:0007399 GO:0007420 GO:0007568 GO:0007584 GO:0008635 GO:0008656 GO:0010659 GO:0030154 GO:0030900 GO:0031072 GO:0034349 GO:0042802 GO:0042981 GO:0043065 GO:0043293 GO:0043531 GO:0051260 GO:0051402 GO:0070059 GO:0070062 GO:0071560 GO:0072432 GO:0097190 GO:0097193 GO:1902510 GO:2001235
2	0.07	0.470	2.53	0.07	0.51	3jcrL	GO:0000375 GO:0000398 GO:0005634 GO:0005654 GO:0005681 GO:0006396 GO:0006397 GO:0008380 GO:0015030 GO:0016607 GO:0017070 GO:0030621 GO:0046540 GO:0071001 GO:0097525
3	0.07	0.470	2.51	0.04	0.50	3jcrD	GO:0000375 GO:0000398 GO:0005634 GO:0005654 GO:0005681 GO:0005682 GO:0005732 GO:0005737 GO:0006396 GO:0006397 GO:0008380 GO:0044822 GO:0071011 GO:0071013
4	0.07	0.574	4.68	0.07	0.71	4nsxA	GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031167 GO:0032040 GO:0034388 GO:0042254 GO:0042274
5	0.07	0.464	2.65	0.05	0.50	5hqgA	GO:0000139 GO:0004842 GO:0005634 GO:0005654 GO:0005737 GO:0005813 GO:0005829 GO:0005925 GO:0008270 GO:0010212 GO:0016567 GO:0016607 GO:0016874 GO:0032436 GO:0046872 GO:0061630
6	0.07	0.462	3.00	0.07	0.51	3odtA	GO:0005634 GO:0005737 GO:0006303 GO:0006511 GO:0010992 GO:0043130
7	0.07	0.559	4.58	0.10	0.68	1nr0A	GO:0003779 GO:0005737 GO:0005856 GO:0016528 GO:0030016 GO:0030240 GO:0030836 GO:0030837 GO:0040011 GO:0040012 GO:0042643 GO:0051015 GO:0071689
8	0.07	0.491	3.66	0.04	0.56	4xfvA	GO:0002098 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006357 GO:0006810 GO:0008017 GO:0015031 GO:0032447 GO:0033588
9	0.07	0.453	3.03	0.05	0.50	5flcD	GO:0005654 GO:0005737 GO:0005829 GO:0007050 GO:0016236 GO:0030838 GO:0031295 GO:0031931 GO:0031932 GO:0032008 GO:0032956 GO:0043087 GO:0048015 GO:0050731 GO:1900034
10	0.07	0.546	4.70	0.09	0.68	1pguB	GO:0003779 GO:0005737 GO:0005856 GO:0005884 GO:0006970 GO:0030042 GO:0030479 GO:0032466 GO:0051016
11	0.07	0.556	4.83	0.07	0.70	4ci8A	GO:0000226 GO:0002244 GO:0005509 GO:0005737 GO:0005829 GO:0005856 GO:0005874 GO:0005875 GO:0007052 GO:0007405 GO:0007420 GO:0008017 GO:0015631 GO:0048471 GO:0097431 GO:1990023
12	0.07	0.563	5.65	0.04	0.77	3sfzA	GO:0000166 GO:0001666 GO:0001843 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006915 GO:0006919 GO:0007275 GO:0007420 GO:0007568 GO:0007584 GO:0008635 GO:0008656 GO:0010659 GO:0030154 GO:0030900 GO:0031072 GO:0034349 GO:0042802 GO:0042981 GO:0043293 GO:0043531 GO:0051260 GO:0051402 GO:0070059 GO:0070062 GO:0071560 GO:0097190 GO:1902510 GO:2001235
13	0.07	0.469	2.53	0.04	0.50	4btsAR	GO:0005840
14	0.07	0.469	3.06	0.07	0.52	3zwlD	GO:0001731 GO:0002183 GO:0002188 GO:0003743 GO:0005737 GO:0005852 GO:0006412 GO:0006413 GO:0006446 GO:0016282 GO:0033290 GO:0043614
15	0.07	0.450	2.61	0.03	0.49	2hesX	GO:0002098 GO:0005634 GO:0005737 GO:0005829 GO:0016226 GO:0044281 GO:0097361
16	0.07	0.465	2.84	0.07	0.51	2ce8A	GO:0000122 GO:0001106 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0007165 GO:0007275 GO:0008134 GO:0009887 GO:0010628 GO:0016055 GO:0030178 GO:0042802 GO:0043124 GO:0045892 GO:1904837 GO:2000811
17	0.07	0.466	2.51	0.06	0.50	3jb9L	GO:0005634 GO:0005681 GO:0005682 GO:0006397 GO:0008380 GO:0045292
18	0.07	0.507	3.81	0.04	0.58	5cvlA	GO:0000724 GO:0005634 GO:0005737 GO:0005764 GO:0005768 GO:0005770 GO:0006974 GO:0007283 GO:0007338 GO:0008584 GO:0016032 GO:0016579 GO:0035264 GO:0043588 GO:0048568 GO:0048705 GO:0048872 GO:0050679 GO:0072520 GO:1902525
19	0.07	0.467	2.90	0.07	0.51	5a31R	GO:0005634 GO:0005680 GO:0005737 GO:0007049 GO:0007067 GO:0010697 GO:0010997 GO:0030332 GO:0045842 GO:0051301 GO:0097027 GO:1904668 GO:2000060 GO:2000600
20	0.07	0.474	2.85	0.04	0.52	4a11B	GO:0000109 GO:0000209 GO:0003678 GO:0004842 GO:0005634 GO:0005654 GO:0006281 GO:0006283 GO:0006289 GO:0006974 GO:0006979 GO:0008094 GO:0009411 GO:0010165 GO:0016363 GO:0016567 GO:0031464 GO:0032403 GO:0043161 GO:0043234 GO:0045739 GO:0051865
21	0.07	0.478	2.61	0.05	0.51	2h9lA	GO:0000123 GO:0001501 GO:0005622 GO:0005634 GO:0005654 GO:0005671 GO:0006351 GO:0006355 GO:0016568 GO:0018024 GO:0031175 GO:0035064 GO:0035097 GO:0035948 GO:0042800 GO:0043966 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0044666 GO:0046972 GO:0048188 GO:0051568 GO:0071339
22	0.07	0.469	2.84	0.09	0.51	4aezA	GO:0000070 GO:0005634 GO:0007049 GO:0007067 GO:0010997 GO:0032153 GO:0033597 GO:0034613 GO:0044732 GO:0051301 GO:0072686 GO:0097027 GO:1904668
23	0.07	0.404	3.33	0.04	0.46	5emkB	GO:0000387 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0005829 GO:0006357 GO:0008284 GO:0008285 GO:0008327 GO:0016274 GO:0030374 GO:0034709 GO:0035246 GO:0060528 GO:0060770
24	0.07	0.423	2.92	0.06	0.47	4jxmA	GO:0003723 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031428 GO:0032040 GO:0034511 GO:0044822
25	0.07	0.477	2.19	0.04	0.50	1vyhC	GO:0000132 GO:0000226 GO:0000235 GO:0000776 GO:0001667 GO:0001675 GO:0001764 GO:0001961 GO:0005634 GO:0005635 GO:0005737 GO:0005813 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0005871 GO:0005874 GO:0005875 GO:0005938 GO:0006629 GO:0006810 GO:0007017 GO:0007049 GO:0007067 GO:0007097 GO:0007268 GO:0007275 GO:0007399 GO:0007405 GO:0007420 GO:0007611 GO:0008017 GO:0008090 GO:0008344 GO:0009306 GO:0010977 GO:0015630 GO:0016020 GO:0016042 GO:0016477 GO:0017145 GO:0019226 GO:0021540 GO:0021766 GO:0021819 GO:0021895 GO:0021987 GO:0030036 GO:0030154 GO:0030424 GO:0030426 GO:0031023 GO:0031252 GO:0031512 GO:0031965 GO:0031982 GO:0032403 GO:0032420 GO:0036035 GO:0040019 GO:0042249 GO:0042803 GO:0043005 GO:0043025 GO:0043087 GO:0043622 GO:0045502 GO:0045505 GO:0045773 GO:0045931 GO:0046329 GO:0047496 GO:0048471 GO:0048854 GO:0050885 GO:0051081 GO:0051130 GO:0051219 GO:0051301 GO:0051660 GO:0051661 GO:0060117 GO:0061003 GO:0070062 GO:0070507 GO:0090102 GO:0090176 GO:1904115 GO:2000574
26	0.07	0.394	4.60	0.07	0.50	4v6iAa	GO:0001403 GO:0001965 GO:0004871 GO:0005092 GO:0005737 GO:0007186 GO:0010255 GO:0017148 GO:0022627 GO:0050790 GO:2001125
27	0.07	0.466	2.31	0.05	0.50	4j87A	GO:0000139 GO:0005198 GO:0005737 GO:0005794 GO:0006810 GO:0006886 GO:0006888 GO:0006890 GO:0006891 GO:0015031 GO:0016020 GO:0016192 GO:0030117 GO:0030126 GO:0030137
28	0.07	0.469	2.64	0.03	0.51	2ybaB	GO:0000122 GO:0000281 GO:0003682 GO:0005634 GO:0005667 GO:0005700 GO:0006281 GO:0006334 GO:0006335 GO:0006342 GO:0006351 GO:0006355 GO:0007307 GO:0007346 GO:0007379 GO:0007517 GO:0008284 GO:0016568 GO:0016571 GO:0016573 GO:0016581 GO:0016584 GO:0016589 GO:0016590 GO:0031491 GO:0031497 GO:0031523 GO:0033186 GO:0035035 GO:0035097 GO:0035098 GO:0042054 GO:0042393 GO:0042766 GO:0042803 GO:0042826 GO:0046974 GO:0046976 GO:0048666 GO:0048812 GO:0048813 GO:0051567 GO:0061085 GO:0070615 GO:0070734 GO:0070822

Consensus prediction of GO terms

Molecular Function	GO:0043531	GO:0031072	GO:0044822	GO:0008656	GO:0030621	GO:0005524	GO:0042802	GO:0017070
GO-Score	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07
Biological Processes	GO:0000398	GO:0051402	GO:0034349	GO:0030900	GO:0070059	GO:0010659	GO:0030154	GO:0001843	GO:0007568	GO:0072432	GO:2001235	GO:0001666	GO:0008635	GO:1902510	GO:0007584	GO:0051260	GO:0071560	GO:0031167	GO:0042274
GO-Score	0.13	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07
Cellular Component	GO:0031981
GO-Score	0.37

(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.