I-TASSER results

I-TASSER results for job id Rv0143c

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

Input Sequence in FASTA format

>protein (492 residues)
MAPGDWSVFAWHAANLPTMPEAEDIGNEAAGGRFGVSIRSAGYLRKWFLLGITIGVIAGL
GAVVFYLALKYTSEFLLGYLADYQIPTPVGEGGHRGSTGFARPWAIPLVTTGGAVLSALI
VAKLAPEATGHGTDEAIESVHGDPRAIRGRAVLVKMVASALTIGSGGSGGREGPTAQISA
GFCSLLTRRLNLSNEDGRTAVALGIGAGIGAIFAAPLGGAALGASIPYRDDFDYRNLLPG
FIASGTAYAVLGAFLGFDPLFGYIDAEYRFEKAWPLLWFVVIGLIAAAVGYLYARVFHAS
VAITRRLPGGPVLKPAIGGLLVGLLGLPIPQILSSGYGWAQLAADRGTLLSIPLWIVIVL
PIAKILATSLSIGTGGSGGLFGPGIVIGAFVGAAIWRLGELTELPGVPHEPGIFVVVAMM
ACFGSVSRAPLAVMIMVAEMTGSFSVVPGAIIAVGIAALLLSRTNVTIYETQRLNRQTAE
AERGGSDRPTTA

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAPGDWSVFAWHAANLPTMPEAEDIGNEAAGGRFGVSIRSAGYLRKWFLLGITIGVIAGLGAVVFYLALKYTSEFLLGYLADYQIPTPVGEGGHRGSTGFARPWAIPLVTTGGAVLSALIVAKLAPEATGHGTDEAIESVHGDPRAIRGRAVLVKMVASALTIGSGGSGGREGPTAQISAGFCSLLTRRLNLSNEDGRTAVALGIGAGIGAIFAAPLGGAALGASIPYRDDFDYRNLLPGFIASGTAYAVLGAFLGFDPLFGYIDAEYRFEKAWPLLWFVVIGLIAAAVGYLYARVFHASVAITRRLPGGPVLKPAIGGLLVGLLGLPIPQILSSGYGWAQLAADRGTLLSIPLWIVIVLPIAKILATSLSIGTGGSGGLFGPGIVIGAFVGAAIWRLGELTELPGVPHEPGIFVVVAMMACFGSVSRAPLAVMIMVAEMTGSFSVVPGAIIAVGIAALLLSRTNVTIYETQRLNRQTAEAERGGSDRPTTA
Prediction	CCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCCEEEEHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHCHHHHCCCHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHCCCCCCCCCCCCCCC
Conf.Score	988776434567877777777777666665556778877678899999999999999999999999999999999998765545555555555544544567999999999999999999999866677888799999998788876578999999999999986888876568999999999999999899989999999999999899985867899999999876366437999999999999999999986997578886566777756699999999999999999999999999999998678768999999999999999855554777799999998787765699999999999999999999859997477999999999999999999997688778889999999999999999767699999999965995599999999999999999859986699999985986545666778899
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAPGDWSVFAWHAANLPTMPEAEDIGNEAAGGRFGVSIRSAGYLRKWFLLGITIGVIAGLGAVVFYLALKYTSEFLLGYLADYQIPTPVGEGGHRGSTGFARPWAIPLVTTGGAVLSALIVAKLAPEATGHGTDEAIESVHGDPRAIRGRAVLVKMVASALTIGSGGSGGREGPTAQISAGFCSLLTRRLNLSNEDGRTAVALGIGAGIGAIFAAPLGGAALGASIPYRDDFDYRNLLPGFIASGTAYAVLGAFLGFDPLFGYIDAEYRFEKAWPLLWFVVIGLIAAAVGYLYARVFHASVAITRRLPGGPVLKPAIGGLLVGLLGLPIPQILSSGYGWAQLAADRGTLLSIPLWIVIVLPIAKILATSLSIGTGGSGGLFGPGIVIGAFVGAAIWRLGELTELPGVPHEPGIFVVVAMMACFGSVSRAPLAVMIMVAEMTGSFSVVPGAIIAVGIAALLLSRTNVTIYETQRLNRQTAEAERGGSDRPTTA
Prediction	654621310333354256145455345543341132204214002000000120021001000102000100010011101212233222222222222202000000201210220111010004404222031012002455530102002000200120220222132000000000000010032060466301100000000000002401000000000001123021100000000010002000000132100101212032111110110000002002201220000110230043042210010000000000001130010000110011012232213000210222232122000203203220111010000101201100100010111310000000000000000000000000000000000211010100000000000002214320020011435636345466555448
	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

CCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCCEEEEHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHCHHHHCCCHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHCCCCCCCCCCCCCCC
MAPGDWSVFAWHAANLPTMPEAEDIGNEAAGGRFGVSIRSAGYLRKWFLLGITIGVIAGLGAVVFYLALKYTSEFLLGYLADYQIPTPVGEGGHRGSTGFARPWAIPLVTTGGAVLSALIVAKLAPEATGHGTDEAIESVHGDPRAIRGRAVLVKMVASALTIGSGGSGGREGPTAQISAGFCSLLTRRLNLSNEDGRTAVALGIGAGIGAIFAAPLGGAALGASIPYRDDFDYRNLLPGFIASGTAYAVLGAFLGFDPLFGYIDAEYRFEKAWPLLWFVVIGLIAAAVGYLYARVFHASVAITRRLPGGPVLKPAIGGLLVGLLGLPIPQILSSGYGWAQLAADRGTLLSIPLWIVIVLPIAKILATSLSIGTGGSGGLFGPGIVIGAFVGAAIWRLGELTELPGVPHEPGIFVVVAMMACFGSVSRAPLAVMIMVAEMTGSFSVVPGAIIAVGIAALLLSRTNVTIYETQRLNRQTAEAERGGSDRPTTA

3nd0A

0.22

0.19

0.86

3.28

MUSTER

-----------------------------------------SLHPRTLVAAIVVGLITGVLGAGFKSAVNNMLQWRSQLAQILAPIP------------PLAWLVTALISGGMVALSFWLMKRFAPDTSGSGIPQIEGHLEGKLPLVWQRVLPIKLVGGFLSLGAGMLAGFEGPTIQMGGSIGQMTGGWFKATQENQRILIAVGAGAGLATAFNAPLAGVALIGEEMHPFRSQTLAYHSLLFGCVMATIILRMIRGQSAIISLT--EFKRVPLDSLWMFIILGILFGVMGYTFNRGLFKVLDWFDRLPLATKWKGFLLGSIIGILSLFPLPLTDGGDNAVLWAFNSQSH----FSTLILVFCGRFLLTLICYGSGAIGGIFAPMLGIASIVSVAMARHFHLL-FPSQIPEPAVMAIAGMGALVAATVRAPLTAILLTIEMTDNYFVILPLLVTCLVASVVAEALGGKPIYTVLLERT---LAKQNR------

3nd0A

0.22

0.19

0.86

4.91

dPPAS

-----------------------------------------SLHPRTLVAAIVVGLITGVLGAGFKSAVNNMLQWRSQLAQILAPIP------------PLAWLVTALISGGMVALSFWLMKRFAPDTSGSGIPQIEGHLEGKLPLVWQRVLPIKLVGGFLSLGAGMLAGFEGPTIQMGGSIGQMTGGWFKATQENQRILIAVGAGAGLATAFNAPLAGVALIGEEMHPFRSQTLAYHSLLFGCVMATIILRMIRGQSAII--SLTEFKRVPLDSLWMFIILGILFGVMGYTFNRGLFKVLDWFDRLPLATKWKGFLLGSIIGILSLFPLPLTDGGDNAVLWAFNSQSH----FSTLILVFCGRFLLTLICYGSGAIGGIFAPMLGIASIVSVAMARHFHLL-FPSQIPEPAVMAIAGMGALVAATVRAPLTAILLTIEMTDNYFVILPLLVTCLVASVVAEALGGKPIYTVLLERTLAKQNR---------

1kpkA

0.23

0.21

0.90

7.80

wdPPAS

-----------------------QAARLRRRQLIRQLLERDKTPLAILFMAAVVGTLVGLAAVAFDKGVAWLQNQRMG------------ALVHTADNYPLLLTVAFLCSAVLAMFGYFLVRKYAPEAGGSGIPEIEGALEDQRPVRWWRVLPVKFFGGLGTLGGGMVLGREGPTVQIGGNIGRMVLDIFRLGDEARHTLLATGAAAGLAAAFNAPLAGILFIIEEMRPFRYTLISIKAVFIGVIMSTIMYRIFNHEVALI--DVGKLSDAPLNTLWLYLILGIIFGIFGPIFNKWVLGMQDLLHRVHGGWVLMGGAIGGLCGLLGFVAPATSGGGFNLIPIATAGNFS----MGMLVFIFVARVITTLLCFSSGAPGGIFAPMLALGTVLGTAFGMVAVELF-PQYHLEAGTFAIAGMGALLAASIRAPLTGIILVLEMTDNYQLILPMIITGLGATLLAQFTGGKPLYSAILARTLAKQEAEQL------

3nd0A

0.22

0.19

0.86

4.20

wMUSTER

-----------------------------------------SLHPRTLVAAIVVGLITGVLGAGFKSAVNNMLQWRSQLAQILAPIP------------PLAWLVTALISGGMVALSFWLMKRFAPDTSGSGIPQIEGHLEGKLPLVWQRVLPIKLVGGFLSLGAGMLAGFEGPTIQMGGSIGQMTGGWFKATQENQRILIAVGAGAGLATAFNAPLAGVALIGEEMHPFRSQTLAYHSLLFGCVMATIILRMIRGQSAIISLT--EFKRVPLDSLWMFIILGILFGVMGYTFNRGLFKVLDWFDRLPPATKWKGFLLGSIIGILSLFPLPLTDGGDNAVLWAFNSQSH----FSTLILVFCGRFLLTLICYGSGAIGGIFAPMLGIASIVSVAMARHFHLL-FPSQIPEPAVMAIAGMGALVAATVRAPLTAILLTIEMTDNYFVILPLLVTCLVASVVAEALGGKPIYTVLLERT---LAKQNR------

3nd0A

0.23

0.19

0.86

6.39

wPPAS

-----------------------------------------SLHPRTLVAAIVVGLITGVLGAGFKSAVNNMLQWRSQLAQILAPIP------------PLAWLVTALISGGMVALSFWLMKRFAPDTSGSGIPQIEGHLEGKLPLVWQRVLPIKLVGGFLSLGAGMLAGFEGPTIQMGGSIGQMTGGWFKATQENQRILIAVGAGAGLATAFNAPLAGVALIGEEMHP-RFRSQAYHSLLFGCVMATIILRMIRGQSAIISLT--EFKRVPLDSLWMFIILGILFGVMGYTFNRGLFKVLDWFDRLPLATKWKGFLLGSIIGILSLFPLPLTDGGDNAVLWAFNSQSH----FSTLILVFCGRFLLTLICYGSGAIGGIFAPMLGIASIVSVAMARHFHLL-FPSQIPEPAVMAIAGMGALVAATVRAPLTAILLTIEMTDNYFVILPLLVTCLVASVVAEALGGKPIYTVLLERTLAKQNR---------

3nd0A

0.22

0.19

0.86

11.43

dPPAS2

-----------------------------------------SLHPRTLVAAIVVGLITGVLGAGFKSAVNNMLQWRSQLAQILAPIP------------PLAWLVTALISGGMVALSFWLMKRFAPDTSGSGIPQIEGHLEGKLPLVWQRVLPIKLVGGFLSLGAGMLAGFEGPTIQMGGSIGQMTGGWFKATQENQRILIAVGAGAGLATAFNAPLAGVALIGEEMHPFRSQTLAYHSLLFGCVMATIILRMIRGQSAII--SLTEFKRVPLDSLWMFIILGILFGVMGYTFNRGLFKVLDWFDRLPLATKWKGFLLGSIIGILSLFPLPLTDGGDNAVLWAFNSQSH----FSTLILVFCGRFLLTLICYGSGAIGGIFAPMLGIASIVSVAMARHFHLL-FPSQIPEPAVMAIAGMGALVAATVRAPLTAILLTIEMTDNYFVILPLLVTCLVASVVAEALGGKPIYTVLLERTLAKQNR---------

3nd0A

0.22

0.19

0.86

5.43

PPAS

-----------------------------------------SLHPRTLVAAIVVGLITGVLGAGFKSAVNNMLQWRSQLAQILAPIP------------PLAWLVTALISGGMVALSFWLMKRFAPDTSGSGIPQIEGHLEGKLPLVWQRVLPIKLVGGFLSLGAGMLAGFEGPTIQMGGSIGQMTGGWFKATQENQRILIAVGAGAGLATAFNAPLAGVALIGEEMHPRRSQTLAYHSLLFGCVMATIILRMIRGQSAIISLT--EFKRVPLDSLWMFIILGILFGVMGYTFNRGLFKVLDWFDRLPLATKWKGFLLGSIIGILSLFPLPLTDGGDNAVLWAFNSQSH----FSTLILVFCGRFLLTLICYGSGAIGGIFAPMLGIASIVSVAMARHFHLL-FPSQIPEPAVMAIAGMGALVAATVRAPLTAILLTIEMTDNYFVILPLLVTCLVASVVAEALGGKPIYTVLLERTLAKQNR---------

3nd0A

0.22

0.19

0.86

10.14

Env-PPAS

-----------------------------------------SLHPRTLVAAIVVGLITGVLGAGFKSAVNNMLQWRSQLAQILAPIP------------PLAWLVTALISGGMVALSFWLMKRFAPDTSGSGIPQIEGHLEGKLPLVWQRVLPIKLVGGFLSLGAGMLAGFEGPTIQMGGSIGQMTGGWFKATQENQRILIAVGAGAGLATAFNAPLAGVALIGEEMHPRRSQTLAYHSLLFGCVMATIILRMIRGQSAIISLT--EFKRVPLDSLWMFIILGILFGVMGYTFNRGLFKVLDWFDRLPLATKWKGFLLGSIIGILSLFPLPLTDGGDNAVLWAFNS----QSHFSTLILVFCGRFLLTLICYGSGAIGGIFAPMLGIASIVSVAMARHFHLL-FPSQIPEPAVMAIAGMGALVAATVRAPLTAILLTIEMTDNYFVILPLLVTCLVASVVAEALGGKPIYTVLLERTLAKQNR---------

1kpkA

0.24

0.21

0.90

3.19

MUSTER

--------------------QAARLRRRQLIRQLLERDKTP---LAILFMAAVVGTLVGLAAVAFDKGVAWLQNQRMG------------ALVHTADNYPLLLTVAFLCSAVLAMFGYFLVRKYAPEAGGSGIPEIEGALEDQRPVRWWRVLPVKFFGGLGTLGGGMVLGREGPTVQIGGNIGRMVLDIFRLGDEARHTLLATGAAAGLAAAFNAPLAGILFIIEEMRPQRYTLISIKAVFIGVIMSTIMYRIFNHEVALIDV--GKLSDAPLNTLWLYLILGIIFGIFGPIFNKWVLGMQDLLHRVHGGWVLMGGAIGGLCGLLGFVAPATSGGGFNLIPIATAGNFS----MGMLVFIFVARVITTLLCFSSGAPGGIFAPMLALGTVLGTAFGMVAVEL-FPQYHLEAGTFAIAGMGALLAASIRAPLTGIILVLEMTDNYQLILPMIITGLGATLLAQFTGGKPLYSAILARTLAKQEAEQL------

1kpkA

0.23

0.21

0.90

4.76

dPPAS

-----------------------QAARLRRRQLIRQLLERDKTPLAILFMAAVVGTLVGLAAVAFDKGVAWLQNQRMG------------ALVHTADNYPLLLTVAFLCSAVLAMFGYFLVRKYAPEAGGSGIPEIEGALEDQRPVRWWRVLPVKFFGGLGTLGGGMVLGREGPTVQIGGNIGRMVLDIFRLGDEARHTLLATGAAAGLAAAFNAPLAGILFIIEEMRPQRYTLISIKAVFIGVIMSTIMYRIFNHEVALI--DVGKLSDAPLNTLWLYLILGIIFGIFGPIFNKWVLGMQDLLHRVHGGWVLMGGAIGGLCGLLGFVAPATSGGGFNLIPIATAGNFS----MGMLVFIFVARVITTLLCFSSGAPGGIFAPMLALGTVLGTAFGMVAVEL-FPQYHLEAGTFAIAGMGALLAASIRAPLTGIILVLEMTDNYQLILPMIITGLGATLLAQFTGGKPLYSAILARTLAKQEAEQL------

(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=0.86

Estimated TM-score = 0.83±0.08

Estimated RMSD = 5.4±3.4Å

Download Model 2

C-score=-1.37

Download Model 3

C-score=-1.99

Download Model 4

C-score=0.53

Download Model 5

C-score=-2.20

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	1kpkA	0.875	1.49	0.230	0.902
2	3nd0A	0.827	1.62	0.229	0.860
3	3orgA	0.753	2.79	0.200	0.815
4	4pkcA	0.378	7.42	0.046	0.622
5	2a5uA	0.373	7.26	0.066	0.608
6	2y3aA	0.370	7.38	0.051	0.610
7	5a0uA	0.366	7.08	0.044	0.583
8	2y8nA	0.365	6.93	0.029	0.571
9	3pflA	0.364	7.03	0.050	0.577
10	3hizA	0.363	7.53	0.049	0.608

(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	0.33	29	2ht4B	BR	Rep, Mult	130,131,132,134,372,473
2	0.29	25	2htlA	BR	Rep, Mult	131,133,172,173,379,380,381,470
3	0.12	10	1otuB	CL	Rep, Mult	170,171,172,173,174,379,381,382
4	0.06	7	2h2sB	SEK	Rep, Mult	329,330,331,356
5	0.04	4	2h2sB	SEK	Rep, Mult	130,131,301,372,473
6	0.02	3	2h2sA	SEK	Rep, Mult	294,298,472
7	0.01	1	2h2sA	SEK	Rep, Mult	59,63,249

	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	2pdaA	0.330	6.67	0.071	0.502	1.2.7.1	381
2	0.060	3bkkA	0.337	6.81	0.071	0.526	3.4.15.1	NA
3	0.060	2a4zA	0.360	7.19	0.066	0.585	2.7.1.153	251
4	0.060	1vlbA	0.307	7.84	0.034	0.528	1.2.99.7	NA
5	0.060	2vdcA	0.334	7.63	0.037	0.563	1.4.1.13	NA
6	0.060	2b3xA	0.316	7.09	0.051	0.508	4.2.1.3	134
7	0.060	1llwA	0.346	7.69	0.056	0.592	1.4.7.1	NA
8	0.060	1y8bA	0.319	7.64	0.048	0.539	2.3.3.9	135
9	0.060	2ow6A	0.343	7.90	0.052	0.600	3.2.1.114	NA
10	0.060	2gtqA	0.345	6.77	0.030	0.528	3.4.11.2	NA
11	0.060	2h1nA	0.341	6.30	0.038	0.504	3.4.24.-	421
12	0.060	2fhcA	0.319	7.23	0.039	0.514	3.2.1.41	196,203
13	0.060	1h7aA	0.327	7.51	0.063	0.553	1.17.4.2	NA
14	0.060	2wghB	0.324	7.67	0.032	0.547	1.17.4.1	NA
15	0.060	2fhbA	0.306	7.66	0.032	0.514	3.2.1.41	NA
16	0.060	2jg0A	0.333	7.63	0.076	0.563	3.2.1.28	177
17	0.060	2wyhA	0.327	7.23	0.032	0.528	3.2.1.24	209
18	0.060	1q16A	0.354	7.59	0.062	0.587	1.7.99.4	NA
19	0.060	1h16A	0.368	7.47	0.042	0.612	2.3.1.54	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	0.36	0.875	1.49	0.23	0.90	1kpkA	GO:0005216 GO:0005247 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006821 GO:0015108 GO:0015297 GO:0015299 GO:0015706 GO:0016020 GO:0016021 GO:0031404 GO:0043168 GO:0055085 GO:1902476 GO:1902600 GO:1903959
1	0.33	0.827	1.62	0.23	0.86	3nd0A	GO:0005216 GO:0005247 GO:0006821 GO:0016020 GO:0016021 GO:0034220 GO:0055085 GO:1903959
2	0.33	0.871	1.65	0.23	0.90	1kplB	GO:0005216 GO:0005247 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006821 GO:0015108 GO:0015297 GO:0016020 GO:0016021 GO:0034220 GO:0055085 GO:1902476 GO:1903959
3	0.25	0.753	2.79	0.20	0.81	3orgA
4	0.06	0.384	7.32	0.04	0.63	5bweA	GO:0003824 GO:0008152
5	0.06	0.371	6.96	0.04	0.58	4mtjA	GO:0003824 GO:0008152
6	0.06	0.368	7.04	0.04	0.58	2yajC	GO:0003824 GO:0008152 GO:0016829 GO:0043722
7	0.06	0.349	7.78	0.06	0.60	2f3oA	GO:0003824 GO:0008152 GO:0016829
8	0.06	0.360	7.77	0.05	0.63	5i2aB	GO:0003824 GO:0008152
9	0.06	0.366	7.48	0.03	0.61	1cm5A	GO:0003824 GO:0005737 GO:0005829 GO:0005975 GO:0006006 GO:0006567 GO:0008152 GO:0008861 GO:0016020 GO:0016740 GO:0016746
10	0.06	0.357	7.85	0.05	0.63	5i2gA	GO:0003824 GO:0008152
11	0.06	0.285	7.06	0.05	0.45	4uvmA	GO:0005215 GO:0006810 GO:0006857 GO:0015197 GO:0015833 GO:0016020 GO:0016021
12	0.06	0.268	7.27	0.05	0.44	3pyzA	GO:0000166 GO:0004326 GO:0005524 GO:0009058 GO:0009396 GO:0016874 GO:0046901
13	0.06	0.296	7.26	0.05	0.48	2pffA	GO:0000287 GO:0003824 GO:0004312 GO:0004315 GO:0004316 GO:0004321 GO:0005829 GO:0005835 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0008897 GO:0016491 GO:0016740 GO:0042759 GO:0046872 GO:0055114 GO:0102132
14	0.06	0.263	7.47	0.06	0.45	3aw5A	GO:0005507 GO:0016020 GO:0016021 GO:0016491 GO:0016722 GO:0046872 GO:0055114
15	0.06	0.246	6.81	0.05	0.38	5einA	GO:0003942 GO:0005737 GO:0006526 GO:0008652 GO:0009085 GO:0016491 GO:0016620 GO:0019878 GO:0046983 GO:0051287 GO:0055114
16	0.06	0.222	8.39	0.02	0.41	2gh8A	GO:0019012 GO:0019028 GO:0030430 GO:0039617
17	0.06	0.216	6.37	0.05	0.32	1j6oA	GO:0004536 GO:0006308 GO:0016788
18	0.06	0.222	6.43	0.03	0.33	3cymA	GO:0000166 GO:0003676 GO:0003824 GO:0005622 GO:0006139 GO:0008408 GO:0044237 GO:0090305

Consensus prediction of GO terms

Molecular Function	GO:0005247	GO:0015299	GO:0031404
GO-Score	0.71	0.36	0.36
Biological Processes	GO:1903959	GO:1902476	GO:0015706	GO:1902600
GO-Score	0.71	0.57	0.36	0.36
Cellular Component	GO:0005887
GO-Score	0.57

(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.