I-TASSER results

I-TASSER results for job id Rv1441c

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

Input Sequence in FASTA format

>protein (491 residues)
MSNVMVVPGMLSAAAADVASIGAALSAANGAAAPTTAGVLAAGADEVSAAIASLFSGYAR
DYQALSAQMARFHQQFVQALTASVGSYAAAEAANASPLQALEQQVLAAINAPTQTLLGRP
LIGNGADGLPGQNGGAGGLLWGNGGNGGAGDAAHPNGGNGGDAGMFGNGGAGGAGYSPAA
GTGAAGGAGGAGGAGGWLSGNGGAGGNGGTGASGADGGGGLPPVPASPGGNGGGGDAGGA
AGMFGTGGAGGTGGDGGAGGAGDSPNSGANGARGGDGGNGAAGGAGGRLFGNGGAGGNGG
TAGQGGDGGTALGAGGIGGDGGTGGAGGTGGTAGIGGSSAGAGGAGGDGGAGGTGGGSSM
IGGKGGTGGNGGVGGTGGASALTIGNGSSAGAGGAGGAGGTGGTGGYIESLDGKGQAGNG
GNGGNGAAGGAGGGGTGAGGNGGAGGNGGDGGPSQGGGNPGFGGDGGTGGPGGVGVPDGI
GGANGAQGKHG

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSNVMVVPGMLSAAAADVASIGAALSAANGAAAPTTAGVLAAGADEVSAAIASLFSGYARDYQALSAQMARFHQQFVQALTASVGSYAAAEAANASPLQALEQQVLAAINAPTQTLLGRPLIGNGADGLPGQNGGAGGLLWGNGGNGGAGDAAHPNGGNGGDAGMFGNGGAGGAGYSPAAGTGAAGGAGGAGGAGGWLSGNGGAGGNGGTGASGADGGGGLPPVPASPGGNGGGGDAGGAAGMFGTGGAGGTGGDGGAGGAGDSPNSGANGARGGDGGNGAAGGAGGRLFGNGGAGGNGGTAGQGGDGGTALGAGGIGGDGGTGGAGGTGGTAGIGGSSAGAGGAGGDGGAGGTGGGSSMIGGKGGTGGNGGVGGTGGASALTIGNGSSAGAGGAGGAGGTGGTGGYIESLDGKGQAGNGGNGGNGAAGGAGGGGTGAGGNGGAGGNGGDGGPSQGGGNPGFGGDGGTGGPGGVGVPDGIGGANGAQGKHG
Prediction	CCEEHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	97676457999999999888888999998876666554456667654678898888875677777777889999999999855555677887777776666655445677875445688888888888899999999988889999999988999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSNVMVVPGMLSAAAADVASIGAALSAANGAAAPTTAGVLAAGADEVSAAIASLFSGYARDYQALSAQMARFHQQFVQALTASVGSYAAAEAANASPLQALEQQVLAAINAPTQTLLGRPLIGNGADGLPGQNGGAGGLLWGNGGNGGAGDAAHPNGGNGGDAGMFGNGGAGGAGYSPAAGTGAAGGAGGAGGAGGWLSGNGGAGGNGGTGASGADGGGGLPPVPASPGGNGGGGDAGGAAGMFGTGGAGGTGGDGGAGGAGDSPNSGANGARGGDGGNGAAGGAGGRLFGNGGAGGNGGTAGQGGDGGTALGAGGIGGDGGTGGAGGTGGTAGIGGSSAGAGGAGGDGGAGGTGGGSSMIGGKGGTGGNGGVGGTGGASALTIGNGSSAGAGGAGGAGGTGGTGGYIESLDGKGQAGNGGNGGNGAAGGAGGGGTGAGGNGGAGGNGGDGGPSQGGGNPGFGGDGGTGGPGGVGVPDGIGGANGAQGKHG
Prediction	31100000110100021033022002101100010000002112200000000001310420130032002003102410330121012232212221431232014102320330033412354444443442342322223424434444424443433524433523453454534414424514544515514424524524624524524625524424524423634525523532542433542444644634524425523624614615615414514524255246165145155165254434424427425436425425434525544444443653442644464344364254364344454444445336345435525524526426524426435525416426525425436453552562652562652652462561551461661551561451461461562662668
	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

CCEEHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MSNVMVVPGMLSAAAADVASIGAALSAANGAAAPTTAGVLAAGADEVSAAIASLFSGYARDYQALSAQMARFHQQFVQALTASVGSYAAAEAANASPLQALEQQVLAAINAPTQTLLGRPLIGNGADGLPGQNGGAGGLLWGNGGNGGAGDAAHPNGGNGGDAGMFGNGGAGGAGYSPAAGTGAAGGAGGAGGAGGWLSGNGGAGGNGGTGASGADGGGGLPPVPASPGGNGGGGDAGGAAGMFGTGGAGGTGGDGGAGGAGDSPNSGANGARGGDGGNGAAGGAGGRLFGNGGAGGNGGTAGQGGDGGTALGAGGIGGDGGTGGAGGTGGTAGIGGSSAGAGGAGGDGGAGGTGGGSSMIGGKGGTGGNGGVGGTGGASALTIGNGSSAGAGGAGGAGGTGGTGGYIESLDGKGQAGNGGNGGNGAAGGAGGGGTGAGGNGGAGGNGGDGGPSQGGGNPGFGGDGGTGGPGGVGVPDGIGGANGAQGKHG

1vt4I3

0.40

1.00

2.97

MUSTER

LIPPYLDQYFYSHIGHHLKNIEHPERMTLFRMVFLDFRFLASGSDNYERLVNAILDFLPKKYTDLLRIALMAEDEAIFEEAHKQVQ-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.40

1.00

3.06

dPPAS

SGSILNTLQQLKFYKPYICDNDPKYERLVNAILDFLPKIEENLICSKYTDLLRIALMAED--EAIFEEAHKQVQRGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

3hr2B

0.27

0.24

0.88

4.63

wdPPAS

ES----------------------------GAAGPSGPIGIRGPSGAGP----------------------------DGNKGEAGAVGAPGSAGASGPGGLGERGAAGIGGKGEKGETGLRGEIGNPGRDGARGAGAIGA-GPAGASGDRGEAGAAGPSGPAGPRGSPGERGEVGPAGPNGFAGPAGSAGGAGEKGTKGPKGENGIVGPTGPVGAAGPSGPNGPPGPAGSRGDGGPPGMTGFAGRTGPGPSGITGPGPGAAGKEGIRGPRGDQGPVGRTGEIGASGPPGAGEKGPSGEGTGPGTAGPQGLLGAGILGLGSRGERGQGIAGALGEGPLGIAGARGPGAVGSGVNGAGEAGRDGNGSDGPGRDGQGHKGERGYGNIGPTGAAGAPGPHGSVGPAGKHGNRGEPGPAGSVGPVGAVGPRGPSGPQGGLPGLKGHNGLQGLPGLAGLHGDQGAPGPVGPAGPRGPAGPSGPIGKDGRSGHPGPVG

1vt4I3

0.40

1.00

4.08

wMUSTER

PPYL-IGHHLKNIEHPERMTLFLDFRFLEQKIRHDSTAWNASGS-QQLKFYKPYICDNDPKYERLVNAILDFLPKYTDLLRIAEAIFGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

3jacA1

0.52

0.36

0.70

5.77

wPPAS

------------------------------------------------------------------------------------------------------------------------------------------------GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.43

0.40

0.92

6.10

dPPAS2

LDF---LPKIICSKYTDLLRIALM-----------------AED------------------EAIFEEAHKQVQRGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.42

0.41

0.97

5.06

PPAS

KN--IEHPERMTLF-LDFRFLEQKIR---------STAWNASGS-QQLKFYKPYICDNDPKYERLVNAILDFLPKYTDLLRIAL---AEDEAIFEEAHKQVQRGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

2vsgA1

0.12

0.06

0.49

0.84

Env-PPAS

ECELTALRKTAGVAKMKVNSDLNSFKTLELTKMKLLTFAAKFPESKEALTLRALEAALNTDLRALRDNIANGIDRAVRATAYASEAAGAFSGIQT--LHDATDGTTYCLSASGQGSNGNAAM----ASQGCKPLALPELLTEDSYNTDVISDKGFPKISPLTNAQGQGKSGECGLFQAASGAQATNTGVQFSGGSRINLGLGAASAAQQPTRPDLSDFSGTARNQADTAHASITELLQLAQGPKP------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3jacA1

0.52

0.36

0.70

2.47

MUSTER

---------------------------------------------------------------------------------------------------------------------------------------------GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

2pffA1

0.47

0.39

0.83

2.56

dPPAS

----------------------------------------------------------------------------------GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

(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 2 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=0.76

Estimated TM-score = 0.82±0.09

Estimated RMSD = 5.6±3.5Å

Download Model 2

C-score=-1.69

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	1vt4I3	0.890	2.33	0.369	0.947
2	3iytA	0.648	4.58	0.067	0.790
3	2ymuA	0.539	4.93	0.071	0.664
4	5teeA	0.530	4.62	0.058	0.648
5	4nsxA	0.526	5.29	0.051	0.684
6	4xfvA	0.524	4.93	0.037	0.664
7	1pevA	0.522	4.95	0.055	0.654
8	2ebsB	0.521	5.15	0.065	0.678
9	5jwzA	0.516	5.24	0.069	0.676
10	4ci8A	0.515	5.18	0.053	0.664

(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	11	4j78A	III	Rep, Mult	101,103,146,183,184,186,199,205,207,223,248,263
2	0.07	4	3pslB	III	Rep, Mult	101,102,103,142,145,146,162,184,186,327
3	0.04	2	1af0A	CA	Rep, Mult	363,364,365,377,378,379,382
4	0.02	1	1satA	CA	Rep, Mult	397,398,399,401,427
5	0.02	1	3fbyA	CA	Rep, Mult	253,255,263,265,268
6	0.02	1	4ewlB	GOL	Rep, Mult	204,205,208
7	0.02	1	1af0A	CA	Rep, Mult	385,386,387,389,405,412
8	0.02	1	3sbrF	IMD	Rep, Mult	367,368,397,415
9	0.02	1	1af0A	CA	Rep, Mult	393,394,395,396,398,422
10	0.02	1	3bbxL	MG	Rep, Mult	213,214
11	0.02	1	2wuvA	CCN	Rep, Mult	213,214,220
12	0.02	1	1sqj0	III	Rep, Mult	229,237,272,273,274
13	0.02	1	1af0A	CA	Rep, Mult	378,379,380,382,393,394,395,398

	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	1e1yA	0.393	7.47	0.044	0.652	2.4.1.1	NA
2	0.060	2j5wA	0.399	7.18	0.056	0.641	1.16.3.1	NA
3	0.060	2qr5A	0.415	4.87	0.067	0.527	3.4.19.1	NA
4	0.060	1yrzA	0.388	6.69	0.060	0.593	3.2.1.37	NA
5	0.060	1fa9A	0.399	7.62	0.057	0.668	2.4.1.1	NA
6	0.060	1kb0A	0.415	5.41	0.066	0.546	1.1.99.-	NA
7	0.060	1qksB	0.395	4.91	0.045	0.501	1.7.2.1	163,187
8	0.060	2c4mC	0.390	7.76	0.062	0.670	2.4.1.1	NA
9	0.060	2h47H	0.391	4.19	0.048	0.472	1.4.99.4	373
10	0.060	1y9mA	0.380	6.42	0.071	0.552	3.2.1.80	180
11	0.060	1llwA	0.412	7.40	0.081	0.682	1.4.7.1	NA
12	0.060	1ea0A	0.342	7.84	0.054	0.587	1.4.1.13	84
13	0.060	1ofdA	0.409	7.61	0.059	0.690	1.4.7.1	NA
14	0.060	2ac1A	0.378	5.23	0.038	0.499	3.2.1.26	NA
15	0.060	2vdcF	0.408	7.56	0.054	0.680	1.4.1.13	222
16	0.060	2vk6A	0.372	4.83	0.054	0.477	3.2.1.18	256
17	0.060	1kitA	0.399	6.37	0.063	0.578	3.2.1.18	NA
18	0.060	2qllA	0.391	7.54	0.044	0.652	2.4.1.1	NA
19	0.060	3c7oA	0.392	5.80	0.079	0.542	3.2.1.55	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	0.07	0.539	4.93	0.07	0.66	2ymuA	GO:0016020 GO:0016021
1	0.07	0.585	5.36	0.05	0.77	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	0.526	5.29	0.05	0.68	4nsxA	GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031167 GO:0032040 GO:0034388 GO:0042254 GO:0042274
3	0.07	0.524	4.93	0.04	0.66	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
4	0.07	0.520	5.07	0.07	0.65	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
5	0.07	0.515	5.18	0.05	0.66	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
6	0.07	0.513	4.91	0.06	0.64	1pguB	GO:0003779 GO:0005737 GO:0005856 GO:0005884 GO:0006970 GO:0030042 GO:0030479 GO:0032466 GO:0051016
7	0.07	0.494	5.46	0.03	0.67	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
8	0.07	0.446	3.80	0.03	0.51	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
9	0.06	0.416	2.75	0.05	0.45	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
10	0.06	0.354	4.91	0.07	0.46	4v3pSa	GO:0007165
11	0.06	0.414	3.08	0.06	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
12	0.06	0.370	2.84	0.04	0.41	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
13	0.06	0.390	2.96	0.04	0.43	4jxmA	GO:0003723 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031428 GO:0032040 GO:0034511 GO:0044822
14	0.06	0.410	3.08	0.10	0.45	4v6wAg	GO:0000398 GO:0005080 GO:0005737 GO:0005776 GO:0005829 GO:0005875 GO:0007626 GO:0009267 GO:0016243 GO:0018991 GO:0035220 GO:0042335 GO:0044829 GO:0045725 GO:0046716 GO:0048477 GO:0071011 GO:0071013 GO:0075522
15	0.06	0.407	2.79	0.07	0.44	4v6iAa	GO:0001403 GO:0001965 GO:0004871 GO:0005092 GO:0005737 GO:0007186 GO:0010255 GO:0017148 GO:0022627 GO:0050790 GO:2001125
16	0.06	0.376	3.24	0.03	0.42	4bujC	GO:0000228 GO:0005634 GO:0005694 GO:0005737 GO:0006461 GO:0007131 GO:0034427 GO:0051321 GO:0051607 GO:0055087 GO:0065004 GO:0070478 GO:0070481
17	0.06	0.413	4.42	0.05	0.50	4lg9A	GO:0000118 GO:0000122 GO:0002021 GO:0003677 GO:0003714 GO:0005634 GO:0005654 GO:0005876 GO:0006351 GO:0006355 GO:0008013 GO:0010468 GO:0016042 GO:0016568 GO:0016575 GO:0017053 GO:0030814 GO:0035264 GO:0042393 GO:0043161 GO:0044212 GO:0044255 GO:0045892 GO:0045893 GO:0045944 GO:0047485 GO:0050872 GO:0060070 GO:0060612 GO:0060613 GO:0090207
18	0.06	0.409	3.15	0.02	0.45	1erjC	GO:0000122 GO:0000123 GO:0000433 GO:0001191 GO:0001198 GO:0005634 GO:0006351 GO:0006355 GO:0007070 GO:0008023 GO:0016584 GO:0017053 GO:0033588 GO:0035955 GO:0036033 GO:0042393 GO:0042826 GO:0043486 GO:0080025 GO:2000217 GO:2000531 GO:2001020

Consensus prediction of GO terms

Molecular Function	GO:0005524	GO:0051015	GO:0043531	GO:0008656	GO:0042802	GO:0031072	GO:0008017
GO-Score	0.07	0.07	0.07	0.07	0.07	0.07	0.07
Biological Processes	GO:0051402	GO:0032447	GO:0015031	GO:0001843	GO:0071560	GO:0008635	GO:0072432	GO:0030240	GO:0030837	GO:1902510	GO:0030900	GO:0002098	GO:0034349	GO:0010659	GO:0030836	GO:0001666	GO:0007584	GO:0070059	GO:0006357	GO:0031167	GO:0071689	GO:0040012	GO:2001235	GO:0051260	GO:0042274	GO:0007568
GO-Score	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	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07
Cellular Component	GO:0043231
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.