I-TASSER results

I-TASSER results for job id Rv3595c

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

Input Sequence in FASTA format

>protein (439 residues)
MSFVIAVPEFLSAAATDLANLGSTISAANAAASIPTTGVLAAGADDVSAAIAALFGAHAQ
AYQTISAQAATFHAQFVQTLSAGAGAYANAEAANVQQSLLNAINAPTQALLGRPLIGDGA
DGTAPGQNGGAGGLLYGNGGNGAAGVNAGIAGGSGGAAGLIGNGGSGGAGGAGAAGGSGG
QGGLLYGNGGAGGNGGAATIPGGNGGAGGAGGNAWLFGNGGAGGLGAAGAAGAAGVNPLT
VPAGQGSMGNNGEPGGPGQPGTEFGQTGGTGGTGGTGLSVGGTGGTGGTGGTGGAGGSGG
RGGLLVGDGGAGGIGGTGGEGGIGARGGTGGQGGMGGAGQPGVGGDAGDGGNGGIGGDGG
AGGDGGAGGAGGAGGLFGVSGSSGLGGAAGSGGNGGGGGEPGVAGSPGVGPAGRGGDGNL
GQFGPEGAPGQPGQPGQPG

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSFVIAVPEFLSAAATDLANLGSTISAANAAASIPTTGVLAAGADDVSAAIAALFGAHAQAYQTISAQAATFHAQFVQTLSAGAGAYANAEAANVQQSLLNAINAPTQALLGRPLIGDGADGTAPGQNGGAGGLLYGNGGNGAAGVNAGIAGGSGGAAGLIGNGGSGGAGGAGAAGGSGGQGGLLYGNGGAGGNGGAATIPGGNGGAGGAGGNAWLFGNGGAGGLGAAGAAGAAGVNPLTVPAGQGSMGNNGEPGGPGQPGTEFGQTGGTGGTGGTGLSVGGTGGTGGTGGTGGAGGSGGRGGLLVGDGGAGGIGGTGGEGGIGARGGTGGQGGMGGAGQPGVGGDAGDGGNGGIGGDGGAGGDGGAGGAGGAGGLFGVSGSSGLGGAAGSGGNGGGGGEPGVAGSPGVGPAGRGGDGNLGQFGPEGAPGQPGQPGQPG
Prediction	CCEEHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	9756545899999999998888889999888765666665456775468899998876555446666788899999999865777667777777666666767888778889988999988888888888899888999999888888888888889999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSFVIAVPEFLSAAATDLANLGSTISAANAAASIPTTGVLAAGADDVSAAIAALFGAHAQAYQTISAQAATFHAQFVQTLSAGAGAYANAEAANVQQSLLNAINAPTQALLGRPLIGDGADGTAPGQNGGAGGLLYGNGGNGAAGVNAGIAGGSGGAAGLIGNGGSGGAGGAGAAGGSGGQGGLLYGNGGAGGNGGAATIPGGNGGAGGAGGNAWLFGNGGAGGLGAAGAAGAAGVNPLTVPAGQGSMGNNGEPGGPGQPGTEFGQTGGTGGTGGTGLSVGGTGGTGGTGGTGGAGGSGGRGGLLVGDGGAGGIGGTGGEGGIGARGGTGGQGGMGGAGQPGVGGDAGDGGNGGIGGDGGAGGDGGAGGAGGAGGLFGVSGSSGLGGAAGSGGNGGGGGEPGVAGSPGVGPAGRGGDGNLGQFGPEGAPGQPGQPGQPG
Prediction	4210000021021003203402310320110001100200312522100000200232155033003302300210020012123112324143234401523423340001110212222202222122220022210110121022233324232422314402203214313224426424132241242441543242561551552462651451451451661451451452441413641423413413424533652661561661651452626616616616526626616625525624626536524624424524525445514635534615616616514616624616615514514614614616615615614626516635514515414534562462642451362452753654568
	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

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

Sec.Str
Seq

CCEEHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MSFVIAVPEFLSAAATDLANLGSTISAANAAASIPTTGVLAAGADDVSAAIAALFGAHAQAYQTISAQAATFHAQFVQTLSAGAGAYANAEAANVQQSLLNAINAPTQALLGRPLIGDGADGTAPGQNGGAGGLLYGNGGNGAAGVNAGIAGGSGGAAGLIGNGGSGGAGGAGAAGGSGGQGGLLYGNGGAGGNGGAATIPGGNGGAGGAGGNAWLFGNGGAGGLGAAGAAGAAGVNPLTVPAGQGSMGNNGEPGGPGQPGTEFGQTGGTGGTGGTGLSVGGTGGTGGTGGTGGAGGSGGRGGLLVGDGGAGGIGGTGGEGGIGARGGTGGQGGMGGAGQPGVGGDAGDGGNGGIGGDGGAGGDGGAGGAGGAGGLFGVSGSSGLGGAAGSGGNGGGGGEPGVAGSPGVGPAGRGGDGNLGQFGPEGAPGQPGQPGQPG

1vt4I3

0.39

1.00

2.50

MUSTER

MVFLRFLEQKIRNTLQQLKFYKPYICDNDPKYERLVNAILDFIEENLSKYTDLLRIALMAEDEAIFEEAHKQVQRGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.38

0.98

2.40

dPPAS

SGSILNTLQQLKFYKPYICDNDPKYERLVNAILDFLPKIEENLICSKYTDLLRIALMAEDE---------AIFEEAHKQVQRGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

3hr2A

0.24

0.23

0.94

4.12

wdPPAS

AR-----------------------GERGFGERGVQGPGPAGPRGNNGAGNDGAKGDTGAGAGSQGAGLQGMGE----AAGLGPKGDRGDAGPKGADGSPGKDGVRGLTGPIGPGPAAGPGPAGFAGPGADGQGAKGEGDTGVKGDAGPGPAGPAGPGPIGNVGAGPGSRGAAGPGATGFGAAGRVGPGPSGNAGPGPGPVGKEGGKGPRGETGPAGRGEVGPGPGPAGEKGSGADGPAGSGTPGPQGIAGQRGVVGLGQRGKRGFGLGPSGEGKQGPSGSGERGPGPMGPGLAGPGESGREGSGAEGSGRDGAGAKGDRGETGPAGPGAGAGAPGPVGPAGKNGDRGETGPAGPAGPIGPAGARGPAGPQGPRGDIGHRGFSGLQGPGSGSGEQGPSGASGPAGPRGPGSAGSGKDGLNGLGPIGGPRGRTGDSGPAG

1vt4I3

0.40

0.39

0.99

3.45

wMUSTER

MVFL-FLEQKIRNTLQQLKFYKPYICDPKYERLVNAILDFLPKIEECSKYTDLLRIALMAEDEAIFEEAHKQVQR---GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

3jacA1

0.46

0.36

0.79

5.69

wPPAS

----------------------------------------------------------------------------------GGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-----GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.41

0.40

0.98

4.53

dPPAS2

KN--IEHPERMTLFRLDFRFLEQKIRHLNTLQQLKFYKPYICDNDKYERLVNAILDFLPKIEENLI--CSKYTDLLRIALMAEDEAIFEEAHKQVQRGGGGGGGGG--GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

3jacA1

0.47

0.37

0.79

5.03

PPAS

----------------------------------------------------------------------------------GGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGG--GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1bpzA

0.09

0.06

0.69

0.45

Env-PPAS

TDMLTELANFEKNVSQAIHKYNAYRKAASVIAKYPKSGAEAKKLPGVGTKIAEKIDEFLAKLRKLEKIRQDDTSSSINFLTRVSGIGPSAARKFVDEGIKTLEDLRKNEDKLNHHQRIGLKYFGDFEKRIPREEMLQMQDIVLNEVKKVDSEYIATVCGSFRRGAESS-----GDMDVLLTHPSFTSESTKQPKLLHQVVEQKVHFITDTLSKGETKFMGVCQLPSKNDEKEYPHRRIDIRLIPKDQYY-CGVLYFTGSDIFNKNMRAHALEKGEYTIRPLGVTGVAGEP-LPVDSQWKYREPKDRSE-----------------------------------------------------------------------------------------------------------------------------------

3jacA1

0.49

0.37

0.75

2.31

MUSTER

------------------------------------------------------------------------------------------------------------GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

3hr2A

0.23

0.19

0.81

1.97

dPPAS

---------------------------------------------------------------------------------QMSYGYDEKSAGVSVPGPMGPSGPRGGPGAGPQGFQGPGEGEGGSGPMGPPGPGPGKNGDDGEAGKPGRGERGPGPQGARGLGTAGLGMGHRGFSGLDGAKG-DTGPAGPKGEGSGENGTGQMGPRGLGERGRGPGTAGARGNDGAVGAAGPGPTGPTPGFGAAGAKGEAGPQGARGSEGGVRGEGPGPAGAAGPAGNGADGQGAKGANGAGIAGAGFGARGPSGPQGPSGAGPKGTSGEGAGNKGDTGAKGEPAGVQGPGPAGEEGKRGARGEGPSGLGPGERGGGSRGFGADGVAGPKGPSGERGSGPAGPKGSGEAGRGEAGLGAK-GLTGSGSGPDGKTGPGPAGQDGRGPAGP

(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=-2.21

Estimated TM-score = 0.45±0.15

Estimated RMSD = 12.3±4.3Å

Download Model 2

C-score=-2.21

Download Model 3

C-score=-3.78

Download Model 4

C-score=-4.31

Download Model 5

C-score=-3.36

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	0.842	3.20	0.377	0.948
2	3iytA	0.604	4.75	0.059	0.784
3	4nsxA	0.502	5.67	0.075	0.697
4	2ymuA	0.490	5.07	0.072	0.635
5	1pevA	0.480	5.46	0.062	0.654
6	4ci8A	0.475	5.57	0.076	0.656
7	2ebsB	0.474	5.53	0.081	0.665
8	4xfvA	0.468	5.68	0.049	0.658
9	1pguB	0.464	5.58	0.065	0.642
10	4a2lA	0.457	5.98	0.051	0.658

(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	5	3smrB	NP7	Rep, Mult	125,126,163,164,165,180,186,216,218,233
2	0.07	4	2vdcB	OMT	Rep, Mult	126,187,200,219,229,230
3	0.03	2	3fegA	MG	Rep, Mult	333,346
4	0.03	2	1aklA	CA	Rep, Mult	322,323,324,326,336,337,338,341
5	0.03	2	1srpA	CA	Rep, Mult	336,337,338,339,341,356,364
6	0.02	1	1a9x1	III	Rep, Mult	382,405,406
7	0.02	1	1jdbH	GLN	Rep, Mult	245,281,282,283
8	0.02	1	1sqj0	III	Rep, Mult	330,345,363,398,399,400,405
9	0.02	1	3fbyA	CA	Rep, Mult	96,108
10	0.02	1	1zhsA	MAN	Rep, Mult	430,431
11	0.02	1	1go7P	CA	Rep, Mult	387,388,389,390,392,413,417
12	0.02	1	3sfzA	GBL	Rep, Mult	203,204,214,217
13	0.02	1	1a9x2	III	Rep, Mult	235,238,241,242,243,277
14	0.02	1	1af0A	CA	Rep, Mult	277,279,318,320
15	0.02	1	3ol6A	NUC	Rep, Mult	95,97,300
16	0.02	1	1c3oA	GLN	Rep, Mult	165,174,175
17	0.02	1	2a69P	MG	Rep, Mult	75,78
18	0.02	1	1yo8A	CA	Rep, Mult	349,351,358,360
19	0.02	1	4ewlB	GOL	Rep, Mult	207,208,211
20	0.02	1	4y0xA	MG	Rep, Mult	291,308

	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	1k32A	0.349	6.57	0.039	0.540	3.4.21.-	NA
2	0.060	2ebsB	0.474	5.53	0.081	0.665	3.2.1.150	346
3	0.060	1clqA	0.320	7.30	0.037	0.538	2.7.7.7	333
4	0.060	2vdcF	0.428	7.48	0.068	0.738	1.4.1.13	334,368
5	0.060	2c4mC	0.403	7.32	0.066	0.686	2.4.1.1	NA
6	0.060	2j5wA	0.411	7.52	0.038	0.718	1.16.3.1	NA
7	0.060	1bxrA	0.404	7.58	0.055	0.704	6.3.5.5	189
8	0.060	1yr2A	0.396	5.78	0.092	0.563	3.4.21.26	298
9	0.060	2cqsA	0.345	7.40	0.072	0.583	2.4.1.20	NA
10	0.060	2vdcA	0.428	7.43	0.063	0.736	1.4.1.13	NA
11	0.060	1y4wA	0.391	6.09	0.051	0.565	3.2.1.80	NA
12	0.060	1h54B	0.376	7.35	0.042	0.638	2.4.1.8	NA
13	0.060	1utwF	0.373	6.11	0.043	0.535	3.2.1.26	326
14	0.060	3gpbA	0.400	7.34	0.055	0.674	2.4.1.1	NA
15	0.060	1yifA	0.384	6.20	0.034	0.570	3.2.1.37	NA
16	0.060	2qllA	0.401	7.27	0.034	0.667	2.4.1.1	NA
17	0.060	3lxuX	0.398	7.52	0.041	0.693	3.4.14.10	372,374,376,385,388
18	0.060	2aeyA	0.395	6.10	0.046	0.572	3.2.1.80	NA
19	0.060	1fa9A	0.403	7.29	0.034	0.670	2.4.1.1	326

(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	0.573	5.21	0.05	0.78	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
1	0.07	0.514	6.03	0.06	0.75	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
2	0.07	0.490	5.07	0.07	0.64	2ymuA	GO:0016020 GO:0016021
3	0.07	0.502	5.67	0.07	0.70	4nsxA	GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031167 GO:0032040 GO:0034388 GO:0042254 GO:0042274
4	0.07	0.475	5.57	0.08	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
5	0.07	0.474	5.36	0.05	0.64	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
6	0.07	0.468	5.51	0.07	0.64	1pguB	GO:0003779 GO:0005737 GO:0005856 GO:0005884 GO:0006970 GO:0030042 GO:0030479 GO:0032466 GO:0051016
7	0.07	0.468	5.68	0.05	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
8	0.06	0.409	5.23	0.04	0.54	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	0.316	5.60	0.03	0.45	5a2qg	GO:0001649 GO:0001891 GO:0001934 GO:0005080 GO:0005102 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0005913 GO:0006417 GO:0006915 GO:0006919 GO:0007049 GO:0007275 GO:0007369 GO:0008200 GO:0008656 GO:0010629 GO:0010803 GO:0015935 GO:0016020 GO:0016032 GO:0017148 GO:0019899 GO:0019903 GO:0030178 GO:0030292 GO:0030308 GO:0030335 GO:0030425 GO:0030496 GO:0030822 GO:0030971 GO:0032436 GO:0032464 GO:0032880 GO:0032947 GO:0033137 GO:0035591 GO:0040008 GO:0042169 GO:0042803 GO:0042995 GO:0042998 GO:0043005 GO:0043025 GO:0043065 GO:0043204 GO:0043547 GO:0044297 GO:0044822 GO:0048471 GO:0048511 GO:0050765 GO:0051302 GO:0051343 GO:0051726 GO:0051898 GO:0051901 GO:0061099 GO:0070062 GO:0071333 GO:0071363 GO:0090003 GO:0098609 GO:0098641 GO:1900102 GO:1903208 GO:1990630 GO:2000114 GO:2000304 GO:2000543 GO:2001244
10	0.06	0.374	4.09	0.05	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
11	0.06	0.329	5.80	0.06	0.48	5hynB	GO:0000122 GO:0001739 GO:0003682 GO:0005634 GO:0005654 GO:0005694 GO:0005730 GO:0006349 GO:0006351 GO:0006355 GO:0016568 GO:0016571 GO:0021510 GO:0035098 GO:0042054 GO:0042802 GO:0045120 GO:0045814 GO:0045892 GO:0061087
12	0.06	0.304	6.11	0.06	0.46	4l9oA	GO:0005634 GO:0005643 GO:0005783 GO:0005789 GO:0006810 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0031410 GO:0051028
13	0.06	0.312	5.94	0.05	0.46	4jxmA	GO:0003723 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031428 GO:0032040 GO:0034511 GO:0044822
14	0.06	0.368	4.78	0.04	0.47	4xyhA	GO:0000070 GO:0000778 GO:0000790 GO:0005634 GO:0005829 GO:0051382 GO:0061638 GO:0061641 GO:0070317 GO:0098654
15	0.06	0.297	5.28	0.05	0.40	5g04R	GO:0000922 GO:0005634 GO:0005654 GO:0005680 GO:0005737 GO:0005813 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0007049 GO:0007062 GO:0007067 GO:0007399 GO:0008022 GO:0008284 GO:0010997 GO:0016567 GO:0019899 GO:0030154 GO:0031145 GO:0031915 GO:0040020 GO:0042787 GO:0042826 GO:0043161 GO:0043234 GO:0048471 GO:0050773 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0090129 GO:0097027 GO:1904668
16	0.06	0.306	4.87	0.04	0.40	4ui9R	GO:0005634 GO:0005654 GO:0005680 GO:0005737 GO:0005829 GO:0006281 GO:0006974 GO:0007049 GO:0007067 GO:0008284 GO:0010997 GO:0016567 GO:0031145 GO:0031572 GO:0031965 GO:0040020 GO:0042787 GO:0045732 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0070306 GO:0070979 GO:0090344 GO:0097027 GO:1904668
17	0.06	0.363	4.26	0.06	0.44	3ow8C	GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0016055 GO:0016593 GO:0032968 GO:0035327 GO:0045638 GO:0045944 GO:0051571 GO:0055087 GO:0080182 GO:2001162
18	0.06	0.305	4.62	0.04	0.39	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

Consensus prediction of GO terms

Molecular Function	GO:0031072	GO:0005524	GO:0008656	GO:0043531	GO:0042802	GO:0008017	GO:0005509
GO-Score	0.13	0.13	0.13	0.13	0.13	0.07	0.07
Biological Processes	GO:0048513	GO:0060322	GO:0007417
GO-Score	0.37	0.37	0.37
Cellular Component	GO:0044444	GO:0043231
GO-Score	0.37	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.