I-TASSER results

I-TASSER results for job id Rv1707

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

Input Sequence in FASTA format

>protein (486 residues)
MLQRIARELLSGVAVAIVALPLAIAFGITATGTSQGALIGLYGAIFAGFFAAVFGGTPGQ
VTGPTGPITVVATATIAEHGLEGAFFAFILAGVFQILFGACRLGSLIRYVPHPVISGFMG
GIAILIIMTQLDQVRSSSLLVLVTVVLLLASGRFIKAIPPSLLVLVLVSSVLPLAAPWLR
DLRAGPVSINRTVDYIGEIPQAMPSFDFPQVANSTMLQVLLSAVAIALLGSLDSLLTSLV
MDNIRGTRHRSNKELIGQGIGNIAAGLFGGLSGAGATVRSVVNVRNGGQTALSAATHSVV
LFVFVAGLGAVVQYIPLAVLSGILILVAVGMFDWHAMRKAHVSPRGDVIVMFTTMIITVV
VDLTIAVMVGIALSLLVHRLRSRQRKAKVTQDDTGTYRIDGPLSFLSVDGVFGSLRDGRE
DVSLDLQHVTYLDTSGARALLYFIDHSEKDGVAVSIKRIPPRLESQLTALADNEQRDKLR
TVLESA

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MLQRIARELLSGVAVAIVALPLAIAFGITATGTSQGALIGLYGAIFAGFFAAVFGGTPGQVTGPTGPITVVATATIAEHGLEGAFFAFILAGVFQILFGACRLGSLIRYVPHPVISGFMGGIAILIIMTQLDQVRSSSLLVLVTVVLLLASGRFIKAIPPSLLVLVLVSSVLPLAAPWLRDLRAGPVSINRTVDYIGEIPQAMPSFDFPQVANSTMLQVLLSAVAIALLGSLDSLLTSLVMDNIRGTRHRSNKELIGQGIGNIAAGLFGGLSGAGATVRSVVNVRNGGQTALSAATHSVVLFVFVAGLGAVVQYIPLAVLSGILILVAVGMFDWHAMRKAHVSPRGDVIVMFTTMIITVVVDLTIAVMVGIALSLLVHRLRSRQRKAKVTQDDTGTYRIDGPLSFLSVDGVFGSLRDGREDVSLDLQHVTYLDTSGARALLYFIDHSEKDGVAVSIKRIPPRLESQLTALADNEQRDKLRTVLESA
Prediction	CCHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHCCCCCCHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCEHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHCCCHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCEEEEHCCCEEEEEEEEEEEEHHHHHHHHHHHHCCCEEEEHCCCCCCCHHHHHHHHHHHHHHHHHHCCEEEEHCCCHHHHHHHHHHCCCCCCCHHHCCHHHC
Conf.Score	865667889999999999999999999998999888754699999999999985899865445557899999999999999999999999999999999988889998858766789999999999999868876886689999999999998875688789999999999999987655444455555666554445788899988999999999999999999999999999999999998569999986889999799999998655545557777788788788775999999999999999999999985577887777666565488999999985898999999999999999978999999999999999999857658998498899999975763458999999865898899986899834589999999999999998999999779899999999986666766444667649
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MLQRIARELLSGVAVAIVALPLAIAFGITATGTSQGALIGLYGAIFAGFFAAVFGGTPGQVTGPTGPITVVATATIAEHGLEGAFFAFILAGVFQILFGACRLGSLIRYVPHPVISGFMGGIAILIIMTQLDQVRSSSLLVLVTVVLLLASGRFIKAIPPSLLVLVLVSSVLPLAAPWLRDLRAGPVSINRTVDYIGEIPQAMPSFDFPQVANSTMLQVLLSAVAIALLGSLDSLLTSLVMDNIRGTRHRSNKELIGQGIGNIAAGLFGGLSGAGATVRSVVNVRNGGQTALSAATHSVVLFVFVAGLGAVVQYIPLAVLSGILILVAVGMFDWHAMRKAHVSPRGDVIVMFTTMIITVVVDLTIAVMVGIALSLLVHRLRSRQRKAKVTQDDTGTYRIDGPLSFLSVDGVFGSLRDGREDVSLDLQHVTYLDTSGARALLYFIDHSEKDGVAVSIKRIPPRLESQLTALADNEQRDKLRTVLESA
Prediction	625303300000100000020001000000314522010000000000210000012200000010000000000003100100000001001102020212212002020200111201020110000313401402011110011110121114202000000011011101001202301112122321022003014102100013031620200110000000001000000020004236651311100100110000002000100000000000002130201000000122001000110210330110000000000000003051022015042000000000000000121330011001000000002004244433573100000301000000530362047304100000360210000001004400530473503010110364025105401452445302521661
	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

CCHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHCCCCCCHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCEHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHCCCHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCEEEEHCCCEEEEEEEEEEEEHHHHHHHHHHHHCCCEEEEHCCCCCCCHHHHHHHHHHHHHHHHHHCCEEEEHCCCHHHHHHHHHHCCCCCCCHHHCCHHHC
MLQRIARELLSGVAVAIVALPLAIAFGITATGTSQGALIGLYGAIFAGFFAAVFGGTPGQVTGPTGPITVVATATIAEHGLEGAFFAFILAGVFQILFGACRLGSLIRYVPHPVISGFMGGIAILIIMTQLDQVRSSSLLVLVTVVLLLASGRFIKAIPPSLLVLVLVSSVLPLAAPWLRDLRAGPVSINRTVDYIGEIPQAMPSFDFPQVANSTMLQVLLSAVAIALLGSLDSLLTSLVMDNIRGTRHRSNKELIGQGIGNIAAGLFGGLSGAGATVRSVVNVRNGGQTALSAATHSVVLFVFVAGLGAVVQYIPLAVLSGILILVAVGMFDWHAMRKAHVSPRGDVIVMFTTMIITVVVDLTIAVMVGIALSLLVHRLRSRQRKAKVTQDDTGTYRIDGPLSFLSVDGVFGSLRDGREDVSLDLQHVTYLDTSGARALLYFIDHSEKDGVAVSIKRIPPRLESQLTALADNEQRDKLRTVLESA

5da0A

0.31

0.29

0.93

3.83

MUSTER

WFANPRKDVLAGIVVALALIPEAIAFSIIAGV---DPQVGLYASFIIALITAFLGGRPGMISAATGAMALLMTGLVKDHGIQYLFAATVLTGVLQVVFGWAKLARYLKFVPRSVMVGFVNALAILIFMAQLPQFVGANAMVAAGLAIIYLLPLVFKAMPSALVAIVVLTVVAVVTGADV-----------KTVGDMGTLPTALPHFQFPQVPFETLAIIFPVALTLSLVGLLESLLTAQLIDERTDTTSDKNVESRGQGVANIVTGFFGGMAGCAMIGQSMINVTSGGRGRLSTFVAGAFLMVLILALQPLLVQIPMAALVAVMMVVAISTFDWGSL----RFPKGETVVMLATVAVTVFTDLSLGVLIGVVLSALFFARKVSQLTPVDEVDGTRTYRVRGQLFFVSTHDFLHQFDHPARRVVIDLSDAHFWDGSAVGALDKVMLKFMRQGTSVELRGLNAASATLVERL----------------

5da0A

0.31

0.29

0.93

6.86

dPPAS

WFANPRKDVLAGIVVALALIPEAIAFSIIAGVD---PQVGLYASFIIALITAFLGGRPGMISAATGAMALLMTGLVKDHGIQYLFAATVLTGVLQVVFGWAKLARYLKFVPRSVMVGFVNALAILIFMAQLPQFVGANAMVAAGLAIIYLLPLVFKAMPSALVAIVVLTVVAVVTG-----------ADVKTVGDMGTLPTALPHFQFPQVPFETLAIIFPVALTLSLVGLLESLLTAQLIDERTDTTSDKNVESRGQGVANIVTGFFGGMAGCAMIGQSMINVTSGGRGRLSTFVAGAFLMVLILALQPLLVQIPMAALVAVMMVVAISTFDWGSLR----FPKGETVVMLATVAVTVFTDLSLGVLIGVVLSALFFARKVSQLTPVDEVDGTRTYRVRGQLFFVSTHDFLHQFDHPARRVVIDLSDAHFWDGSAVGALDKVMLKFMRQGTSVELRGLNAASATLVERL----------------

5da0A

0.31

0.29

0.93

9.30

wdPPAS

WFANPRKDVLAGIVVALALIPEAIAFSIIAGVDP---QVGLYASFIIALITAFLGGRPGMISAATGAMALLMTGLVKDHGIQYLFAATVLTGVLQVVFGWAKLARYLKFVPRSVMVGFVNALAILIFMAQLPQFVGANAMVAAGLAIIYLLPLVFKAMPSALVAIVVLTVVAVVTGADV-----------KTVGDMGTLPTALPHFQFPQVPFETLAIIFPVALTLSLVGLLESLLTAQLIDERTDTTSDKNVESRGQGVANIVTGFFGGMAGCAMIGQSMINVTSGGRGRLSTFVAGAFLMVLILALQPLLVQIPMAALVAVMMVVAISTFDWGSL----RFPKGETVVMLATVAVTVFTDLSLGVLIGVVLSALFFARKVSQLTPVDEVDGTRTYRVRGQLFFVSTHDFLHQFDHPARRVVIDLSDAHFWDGSAVGALDKVMLKFMRQGTSVELRGLNAASATLVERL----------------

5da0A

0.31

0.29

0.93

4.97

wMUSTER

WFANPRKDVLAGIVVALALIPEAIAFSIIAGVDP---QVGLYASFIIALITAFLGGRPGMISAATGAMALLMTGLVKDHGIQYLFAATVLTGVLQVVFGWAKLARYLKFVPRSVMVGFVNALAILIFMAQLPQFVGANAMVAAGLAIIYLLPLVFKAMPSALVAIVVLTVVAVVTGADV-----------KTVGDMGTLPTALPHFQFPQVPFETLAIIFPVALTLSLVGLLESLLTAQLIDERTDTTSDKNVESRGQGVANIVTGFFGGMAGCAMIGQSMINVTSGGRGRLSTFVAGAFLMVLILALQPLLVQIPMAALVAVMMVVAISTFDWGSL----RFPKGETVVMLATVAVTVFTDLSLGVLIGVVLSALFFARKVSQLTPVDEVDGTRTYRVRGQLFFVSTHDFLHQFDHPARRVVIDLSDAHFWDGSAVGALDKVMLKFMRQGTSVELRGLNAASATLVERL----------------

5da0A

0.31

0.29

0.93

6.44

wPPAS

WFANPRKDVLAGIVVALALIPEAIAFSIIAGVDP---QVGLYASFIIALITAFLGGRPGMISAATGAMALLMTGLVKDHGIQYLFAATVLTGVLQVVFGWAKLARYLKFVPRSVMVGFVNALAILIFMAQLPQFVGANAMVAAGLAIIYLLPLVFKAMPSALVAIVVLTVVAVVTGADV-----------KTVGDMGTLPTALPHFQFPQVPFETLAIIFPVALTLSLVGLLESLLTAQLIDERTDTTSDKNVESRGQGVANIVTGFFGGMAGCAMIGQSMINVTSGGRGRLSTFVAGAFLMVLILALQPLLVQIPMAALVAVMMVVAISTFDWGSL----RFPKGETVVMLATVAVTVFTDLSLGVLIGVVLSALFFARKVSQLTPVDEVDGTRTYRVRGQLFFVSTHDFLHQFDHPARRVVIDLSDAHFWDGSAVGALDKVMLKFMRQGTSVELRGLNAASATLVERL----------------

5da0A

0.31

0.29

0.93

13.81

dPPAS2

WFANPRKDVLAGIVVALALIPEAIAFSIIAGVD---PQVGLYASFIIALITAFLGGRPGMISAATGAMALLMTGLVKDHGIQYLFAATVLTGVLQVVFGWAKLARYLKFVPRSVMVGFVNALAILIFMAQLPQFVGANAMVAAGLAIIYLLPLVFKAMPSALVAIVVLTVVAVVTGADV-----------KTVGDMGTLPTALPHFQFPQVPFETLAIIFPVALTLSLVGLLESLLTAQLIDERTDTTSDKNVESRGQGVANIVTGFFGGMAGCAMIGQSMINVTSGGRGRLSTFVAGAFLMVLILALQPLLVQIPMAALVAVMMVVAISTFDWGSLR----FPKGETVVMLATVAVTVFTDLSLGVLIGVVLSALFFARKVSQLTPVDEVDGTRTYRVRGQLFFVSTHDFLHQFDHPARRVVIDLSDAHFWDGSAVGALDKVMLKFMRQGTSVELRGLNAASATLVERL----------------

5da0A

0.31

0.29

0.93

5.71

PPAS

WFANPRKDVLAGIVVALALIPEAIAFSIIAGVDP---QVGLYASFIIALITAFLGGRPGMISAATGAMALLMTGLVKDHGIQYLFAATVLTGVLQVVFGWAKLARYLKFVPRSVMVGFVNALAILIFMAQLPQFVGANAMVAAGLAIIYLLPLVFKAMPSALVAIVVLTVVAVVTGADV-----------KTVGDMGTLPTALPHFQFPQVPFETLAIIFPVALTLSLVGLLESLLTAQLIDERTDTTSDKNVESRGQGVANIVTGFFGGMAGCAMIGQSMINVTSGGRGRLSTFVAGAFLMVLILALQPLLVQIPMAALVAVMMVVAISTFDWGSL----RFPKGETVVMLATVAVTVFTDLSLGVLIGVVLSALFFARKVSQLTPVDEVDGTRTYRVRGQLFFVSTHDFLHQFDHPARRVVIDLSDAHFWDGSAVGALDKVMLKFMRQGTSVELRGLNAASATLVERL----------------

5da0A

0.31

0.29

0.93

12.31

Env-PPAS

WFANPRKDVLAGIVVALALIPEAIAFSIIAGVDP---QVGLYASFIIALITAFLGGRPGMISAATGAMALLMTGLVKDHGIQYLFAATVLTGVLQVVFGWAKLARYLKFVPRSVMVGFVNALAILIFMAQLPQFVGANAMVAAGLAIIYLLPLVFKAMPSALVAIVVLTVVAVVTGADV-----------KTVGDMGTLPTALPHFQFPQVPFETLAIIFPVALTLSLVGLLESLLTAQLIDERTDTTSDKNVESRGQGVANIVTGFFGGMAGCAMIGQSMINVTSGGRGRLSTFVAGAFLMVLILALQPLLVQIPMAALVAVMMVVAISTFDWGSL----RFPKGETVVMLATVAVTVFTDLSLGVLIGVVLSALFFARKVSQLTPVDEVDGTRTYRVRGQLFFVSTHDFLHQFDHPARRVVIDLSDAHFWDGSAVGALDKVMLKFMRQGTSVELRGLNAASATLVERL----------------

5da0A1

0.33

0.22

0.67

2.93

MUSTER

WFANPRKDVLAGIVVALALIPEAIAFSIIAGVD---PQVGLYASFIIALITAFLGGRPGMISAATGAMALLMTGLVKDHGIQYLFAATVLTGVLQVVFGWAKLARYLKFVPRSVMVGFVNALAILIFMAQLPQFVGANAMVAAGLAIIYLLPLVFKAMPSALVAIVVLTVVAVVTGADV-----------KTVGDMGTLPTALPHFQFPQVPFETLAIIFPVALTLSLVGLLESLLTAQLIDERTDTTSDKNVESRGQGVANIVTGFFGGMAGCAMIGQSMINVTSGGRGRLSTFVAGAFLMVLILALQPLLVQIPMAALVAVMMVVAISTFDWGSLR----------------------------------------------------------------------------------------------------------------------------------------------------

5da0A1

0.33

0.22

0.67

5.39

dPPAS

WFANPRKDVLAGIVVALALIPEAIAFSIIAGVD---PQVGLYASFIIALITAFLGGRPGMISAATGAMALLMTGLVKDHGIQYLFAATVLTGVLQVVFGWAKLARYLKFVPRSVMVGFVNALAILIFMAQLPQFVGANAMVAAGLAIIYLLPLVFKAMPSALVAIVVLTVVAVVTG-----------ADVKTVGDMGTLPTALPHFQFPQVPFETLAIIFPVALTLSLVGLLESLLTAQLIDERTDTTSDKNVESRGQGVANIVTGFFGGMAGCAMIGQSMINVTSGGRGRLSTFVAGAFLMVLILALQPLLVQIPMAALVAVMMVVAISTFDWGSLR----------------------------------------------------------------------------------------------------------------------------------------------------

(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 4 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=1.12

Estimated TM-score = 0.87±0.07

Estimated RMSD = 4.9±3.2Å

Download Model 2

C-score=0.95

Download Model 3

C-score=0.60

Download Model 4

C-score=0.92

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	5da0A	0.909	1.37	0.310	0.930
2	5i6cA	0.654	3.58	0.136	0.753
3	4yzfA	0.616	4.11	0.139	0.749
4	5sv9A	0.613	4.23	0.157	0.757
5	3qe7A	0.579	4.71	0.110	0.722
6	3dh4A	0.396	6.31	0.057	0.580
7	2jgdA	0.368	6.83	0.040	0.568
8	3hfxA	0.368	6.33	0.068	0.539
9	4djiA	0.363	6.35	0.064	0.529
10	3gi9C	0.361	5.96	0.052	0.506

(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	0.06	2	1ottA	CL	Rep, Mult	12,18,21
2	0.04	1	5da0A	DMU	Rep, Mult	118,228,229,232,233,236,327,330,331
3	0.03	1	2aluA	UUU	Rep, Mult	124,354,355,358
4	0.03	1	1otsA	CL	Rep, Mult	11,12,21,314,407
5	0.03	1	1fipA	III	Rep, Mult	21,22
6	0.03	1	3qnqA	CBS	Rep, Mult	110,111,114
7	0.03	1	1jb0B	CLA	Rep, Mult	316,317,318,320
8	0.03	1	2hlfB	BR	Rep, Mult	11,12,21,407
9	0.03	1	2dsfA	UUU	Rep, Mult	48,63,293,297
10	0.03	1	2aluA	UUU	Rep, Mult	233,234,235,236,238
11	0.03	1	1sdxA	UUU	Rep, Mult	297,298,301
12	0.03	1	1m34A	SF4	Rep, Mult	125,126
13	0.03	1	1rkuB	MG	Rep, Mult	287,433
14	0.03	1	1qprA	PPC	Rep, Mult	248,279
15	0.03	1	2h4iA	LBT	Rep, Mult	305,306,309

	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	1kc7A	0.328	7.85	0.037	0.564	2.7.9.1	NA
2	0.060	1llwA	0.320	7.42	0.067	0.529	1.4.7.1	NA
3	0.060	1bglA	0.256	8.05	0.043	0.457	3.2.1.23	NA
4	0.060	2o1xB	0.348	6.87	0.062	0.539	2.2.1.7	NA
5	0.060	2jgdA	0.368	6.83	0.040	0.568	1.2.4.2	82
6	0.060	2ebsB	0.322	7.49	0.045	0.531	3.2.1.150	NA
7	0.060	1n1hA	0.335	7.39	0.047	0.551	2.7.7.48	62,275
8	0.060	1ynnD	0.323	7.63	0.035	0.549	2.7.7.6	NA
9	0.060	1kblA	0.327	7.86	0.042	0.562	2.7.9.1	NA
10	0.060	1qmgA	0.326	6.73	0.061	0.498	1.1.1.86	NA
11	0.060	2ow6A	0.318	7.39	0.049	0.525	3.2.1.114	242
12	0.060	2g25A	0.331	7.44	0.044	0.551	1.2.4.1	NA
13	0.060	1sy7A	0.333	7.40	0.025	0.558	1.11.1.6	414
14	0.060	2qtcB	0.332	7.65	0.044	0.564	1.2.4.1	25
15	0.060	2o1xC	0.343	6.57	0.064	0.510	2.2.1.7	NA
16	0.060	2o1sB	0.323	6.63	0.054	0.488	2.2.1.7	NA
17	0.060	1ofdA	0.277	7.38	0.057	0.453	1.4.7.1	NA
18	0.060	1t3tA	0.342	7.61	0.049	0.568	6.3.5.3	NA
19	0.060	3b8eC	0.320	7.43	0.051	0.531	3.6.3.9	226,277,332

(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	0.49	0.909	1.37	0.31	0.93	5da0A	GO:0008271 GO:0008272 GO:0015116 GO:0016020 GO:0016021 GO:0055085 GO:1902358
1	0.08	0.654	3.58	0.14	0.75	5i6cA	GO:0000324 GO:0002060 GO:0005215 GO:0005886 GO:0006810 GO:0010008 GO:0015143 GO:0015747 GO:0016020 GO:0016021 GO:0034423 GO:0042906 GO:0042907 GO:0055085 GO:1903825
2	0.07	0.616	4.11	0.14	0.75	4yzfA	GO:0003779 GO:0005215 GO:0005452 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006820 GO:0006821 GO:0006873 GO:0008022 GO:0008509 GO:0015106 GO:0015108 GO:0015301 GO:0015701 GO:0016020 GO:0016021 GO:0016323 GO:0019899 GO:0030018 GO:0030506 GO:0030863 GO:0042803 GO:0043495 GO:0051453 GO:0070062 GO:0072562 GO:1902476
3	0.07	0.579	4.71	0.11	0.72	3qe7A	GO:0005215 GO:0005886 GO:0005887 GO:0006810 GO:0015210 GO:0015505 GO:0015857 GO:0016020 GO:0016021 GO:0055085 GO:1903791
4	0.06	0.404	6.16	0.06	0.58	2xq2A	GO:0005215 GO:0005886 GO:0006810 GO:0006811 GO:0006814 GO:0008643 GO:0015293 GO:0016020 GO:0016021 GO:0055085
5	0.06	0.368	6.83	0.04	0.57	2jgdA	GO:0000287 GO:0004591 GO:0005829 GO:0006096 GO:0006099 GO:0008152 GO:0016491 GO:0016624 GO:0030976 GO:0042802 GO:0045252 GO:0055114
6	0.06	0.349	6.90	0.07	0.54	2y0pC	GO:0003824 GO:0004149 GO:0004591 GO:0006099 GO:0008152 GO:0008683 GO:0016491 GO:0016624 GO:0016740 GO:0016746 GO:0016829 GO:0016831 GO:0030976 GO:0046872 GO:0050439 GO:0055114
7	0.06	0.344	6.91	0.05	0.54	2xt6A	GO:0003824 GO:0004149 GO:0004591 GO:0006099 GO:0008152 GO:0008683 GO:0016491 GO:0016624 GO:0016740 GO:0016746 GO:0016829 GO:0016831 GO:0030976 GO:0046872 GO:0050439 GO:0055114
8	0.06	0.263	5.44	0.07	0.36	3bjxA	GO:0019120
9	0.06	0.237	7.66	0.03	0.41	1bu6Y	GO:0000166 GO:0003824 GO:0004370 GO:0005524 GO:0005829 GO:0005975 GO:0006071 GO:0006072 GO:0006974 GO:0008152 GO:0008270 GO:0016301 GO:0016310 GO:0016740 GO:0016773 GO:0019563 GO:0046872
10	0.06	0.266	8.18	0.06	0.49	3cmmC	GO:0000166 GO:0004839 GO:0004842 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006464 GO:0008641 GO:0016567 GO:0016874 GO:0019941
11	0.06	0.247	6.42	0.03	0.36	3exeA	GO:0004738 GO:0004739 GO:0005634 GO:0005739 GO:0005759 GO:0005975 GO:0006006 GO:0006086 GO:0006090 GO:0006099 GO:0008152 GO:0010510 GO:0016491 GO:0016624 GO:0034604 GO:0043209 GO:0043231 GO:0045254 GO:0046487 GO:0055114 GO:0061732
12	0.06	0.221	7.26	0.05	0.36	3m4xA	GO:0003723 GO:0005737 GO:0006364 GO:0008168 GO:0008757 GO:0016740 GO:0032259
13	0.06	0.202	7.10	0.04	0.32	1d2fB	GO:0003824 GO:0004121 GO:0006351 GO:0006355 GO:0008652 GO:0009058 GO:0009086 GO:0016829 GO:0030170 GO:0043433 GO:0080146
14	0.06	0.234	7.60	0.06	0.40	1vp4A	GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
15	0.06	0.209	7.69	0.05	0.35	3jurD	GO:0004650 GO:0005975 GO:0008152 GO:0016787 GO:0016798
16	0.06	0.243	7.39	0.03	0.41	4v94G	GO:0000166 GO:0005524 GO:0005737 GO:0005832 GO:0006457 GO:0051082
17	0.06	0.209	7.03	0.05	0.33	4k36A	GO:0003824 GO:0016491 GO:0046872 GO:0051536 GO:0051539 GO:0055114
18	0.06	0.190	6.48	0.07	0.29	2qnvA	GO:0000977 GO:0001228 GO:0003677 GO:0003700 GO:0003707 GO:0003713 GO:0004879 GO:0005634 GO:0005654 GO:0006351 GO:0006355 GO:0006367 GO:0006805 GO:0007165 GO:0008144 GO:0008202 GO:0008270 GO:0010628 GO:0030522 GO:0042738 GO:0042908 GO:0043401 GO:0043565 GO:0045892 GO:0045893 GO:0045944 GO:0046618 GO:0046872

Consensus prediction of GO terms

Molecular Function	GO:0008271
GO-Score	0.49
Biological Processes	GO:1902358
GO-Score	0.49
Cellular Component	GO:0016021	GO:0071944
GO-Score	0.62	0.49

(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.