I-TASSER results

I-TASSER results for job id Rv3433c

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

Input Sequence in FASTA format

>protein (473 residues)
MRHYYSVDTIRAAEAPLLASLPDGALMRRAAFGLATEIGRELTARTGGVVGRRVCAVVGS
GDNGGDALWAATFLRRRGAAADAVLLNPDRTHRKALAAFTKSGGRLVESVSAATDLVIDG
VVGISGSGPLRPAAAQVFAAVQAAAIPVVAVDIPSGIDVATGAITGPAVHAALTVTFGGL
KPVHALADCGRVVLVDIGLDLAHTDVLGFEATDVAARWPVPGPRDDKYTQGVTGVLAGSS
TYPGAAVLCTGAAVAATSGMVRYAGTAHAEVLAHWPEVIASPTPAAAGRVQAWVVGPGLG
TDEAGAAALWFALDTDLPVLVDADGLTMLADHPDLVAGRNAPTVLTPHAGEFARLAGAPP
GDDRVGACRQLADALGATVLLKGNVTVIADPGGPVYLNPAGQSWAATAGSGDVLSGMIGA
LLASGLPSGEAAAAAAFVHARASAAAAADPGPGDAPTSASRISGHIRAALAAL

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MRHYYSVDTIRAAEAPLLASLPDGALMRRAAFGLATEIGRELTARTGGVVGRRVCAVVGSGDNGGDALWAATFLRRRGAAADAVLLNPDRTHRKALAAFTKSGGRLVESVSAATDLVIDGVVGISGSGPLRPAAAQVFAAVQAAAIPVVAVDIPSGIDVATGAITGPAVHAALTVTFGGLKPVHALADCGRVVLVDIGLDLAHTDVLGFEATDVAARWPVPGPRDDKYTQGVTGVLAGSSTYPGAAVLCTGAAVAATSGMVRYAGTAHAEVLAHWPEVIASPTPAAAGRVQAWVVGPGLGTDEAGAAALWFALDTDLPVLVDADGLTMLADHPDLVAGRNAPTVLTPHAGEFARLAGAPPGDDRVGACRQLADALGATVLLKGNVTVIADPGGPVYLNPAGQSWAATAGSGDVLSGMIGALLASGLPSGEAAAAAAFVHARASAAAAADPGPGDAPTSASRISGHIRAALAAL
Prediction	CCHCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCEEEEEHCCCCCHHHHHHHHHHHHHHCCCEEEEEHCCCHHCHHHHHHHHHHCCCCCCCCCCCCCEEEHCCCCCCCCCCCCHHHHHHHHHHHHCCCCEEEEHCCCCCCCCCCCCCCCEHCCCEEEEHCCHHHHHHCCCCCEEEEEEEEHCCCCCCHHHCCHHHHHHHCCCCCCCCCCCCCCEEEEEHCCCCCCCHHHHHHHHHHHHCCCEEEEHCCCCHHHHHHCCEEEEHCCHHHCCCCCEEEHCCCCCCCHHHHHHHHHHHHHCCCEEEHCCHHHHHHHCHHHHHCCCCCEEHCCCHHHHHHHHCCCCCCCHHHHHHHHHHHHCCEEEHCCCCCEEHCCCCEEEEHCCCCCCCCCCCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHC
Conf.Score	97557999999999999989999999999999999999999887567778867999989998758899999999998996899996885658899999999899766677778989998567899999999999999999998699899998899998999988886565776898644446665566775687887754566544545589999978988888999888879999689999869999999999989997999868757788759969997677885889899995999999999999999998599999986568999868678875899889879979999987999655789999999999898999869995998699759996899854578888747899999999969999999999999999999999999899878888899999999999979
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MRHYYSVDTIRAAEAPLLASLPDGALMRRAAFGLATEIGRELTARTGGVVGRRVCAVVGSGDNGGDALWAATFLRRRGAAADAVLLNPDRTHRKALAAFTKSGGRLVESVSAATDLVIDGVVGISGSGPLRPAAAQVFAAVQAAAIPVVAVDIPSGIDVATGAITGPAVHAALTVTFGGLKPVHALADCGRVVLVDIGLDLAHTDVLGFEATDVAARWPVPGPRDDKYTQGVTGVLAGSSTYPGAAVLCTGAAVAATSGMVRYAGTAHAEVLAHWPEVIASPTPAAAGRVQAWVVGPGLGTDEAGAAALWFALDTDLPVLVDADGLTMLADHPDLVAGRNAPTVLTPHAGEFARLAGAPPGDDRVGACRQLADALGATVLLKGNVTVIADPGGPVYLNPAGQSWAATAGSGDVLSGMIGALLASGLPSGEAAAAAAFVHARASAAAAADPGPGDAPTSASRISGHIRAALAAL
Prediction	83311206102401420154034420401001000400162047434425434303413524211131000010262504010000136641350042036142401341164010000000000032504620240041027170100000000000003141331002000000000002100022101100010000101111221012102310232143221021000000001351100000000001201010000001420101010000000204412530200000000023630140022006162402551400100052351056164200000123102200524355410510240075140000001130000046230100221101000000020300000000004130000000000000200120066344342000012006202500563
	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

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

Sec.Str
Seq

CCHCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCEEEEEHCCCCCHHHHHHHHHHHHHHCCCEEEEEHCCCHHCHHHHHHHHHHCCCCCCCCCCCCCEEEHCCCCCCCCCCCCHHHHHHHHHHHHCCCCEEEEHCCCCCCCCCCCCCCCEHCCCEEEEHCCHHHHHHCCCCCEEEEEEEEHCCCCCCHHHCCHHHHHHHCCCCCCCCCCCCCCEEEEEHCCCCCCCHHHHHHHHHHHHCCCEEEEHCCCCHHHHHHCCEEEEHCCHHHCCCCCEEEHCCCCCCCHHHHHHHHHHHHHCCCEEEHCCHHHHHHHCHHHHHCCCCCEEHCCCHHHHHHHHCCCCCCCHHHHHHHHHHHHCCEEEHCCCCCEEHCCCCEEEEHCCCCCCCCCCCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHC
MRHYYSVDTIRAAEAPLLASLPDGALMRRAAFGLATEIGRELTARTGGVVGRRVCAVVGSGDNGGDALWAATFLRRRGAAADAVLLNPDRTHRKALAAFTKSGGRLVESVSAATDLVIDGVVGISGSGPLRPAAAQVFAAVQAAAIPVVAVDIPSGIDVATGAITGPAVHAALTVTFGGLKPVHALADCGRVVLVDIGLDLAHTDVLGFEATDVAARWPVPGPRDDKYTQGVTGVLAGSSTYPGAAVLCTGAAVAATSGMVRYAGTAHAEVLAHWPEVIASPTPAAAGRVQAWVVGPGLGTDEAGAAALWFALDTDLPVLVDADGLTMLADHPDLVAGRNAPTVLTPHAGEFARLAGAPPGDDRVGACRQLADALGATVLLKGNVTVIADPGGPVYLNPAGQSWAATAGSGDVLSGMIGALLASGLPSGEAAAAAAFVHARASAAAAADPGPGDAPTSASRISGHIRAALAAL

2ax3A

0.27

0.25

0.95

2.90

MUSTER

--------HHKEIDELTIKEVDSR-ILERAGISVVLAEEEL-----GNLSDYRFLVLCGGGNNGGDGFVVARNLLGVVKDVLVVFLGKKPDCEYNYGLYKKFGGKVVEQFEPSFDVVVDAIFGTGLRGEITGEYAEIINLVNKSGKVVVSVDVPSGIDSNTGKVLRTAVKADLTVTFGVPKIGHILFPTGKLKVANIGHPLINSINRYVITREVRSLLPERPRDSHKGTYGKVLIIAGSRLY-SGAPVLSGGSLKVGTGLVKLAVPFPLIATSRFPELISVPILELSKDVDVVAIGPGLGNNEHVREFVNEFLKTEKPAVIDADAINVLD--TSVLKERKSPAVLTPHPGEARLVKKTVGDKYNYELAEEFAKENDCVLVLKSATTIVTDGEK-TLFNITGNTGLSKGGSGDVLTGIAGFIAQ--LSPLEASTVSVYLHGFAAELFEQ----DERGLTASELLRLIPEAIRRL

2ax3A

0.26

0.25

0.95

4.99

dPPAS

--------HHKEIDELTIKEYGDSRILERAGISVVLAEEE-----LGNLSDYRFLVLCGGGNNGGDGFVVARNLLGVVKDVLVVFLGKKPDCEYNYGLYKKFGGKVVEQFEPSFDVVVDAIFGTGLRGEITGEYAEIINLVNKSGKVVVSVDVPSGIDSNTGKVLRTAVKADLTVTFGVPKIGHILFPGRDLTGKLKVANIGHPVHLINSIREVRSLLPERPRDSHKGTYGKVLIIAGSRLY-SGAPVLSGGSLKVGTGLVKLAVPFPLIATSRFPELISVPILELSKDVDVVAIGPGLGNNEHVREFVNEFLKTEKPAVIDADAINVL--DTSVLKERKSPAVLTPHPGEARLVKKTVGDKYNYELAEEFAKENDCVLVLKSATTIVTDGEK-TLFNITGNTGLSKGGSGDVLTGIAGFIAQG-LSPLEASTVSVYLHGFAAELF----EQDERGLTASELLRLIPEAIRRL

2ax3A

0.26

0.25

0.95

5.60

wdPPAS

--------HHKEIDELTIK-GVDSRILERAGISVVLAEEE-----LGNLSDYRFLVLCGGGNNGGDGFVVARNLLGVVKDVLVVFLGKKPDCEYNYGLYKKFGGKVVEQFEPSFDVVVDAIFGTGLRGEITGEYAEIINLVNKSGKVVVSVDVPSGIDSNTGKVLRTAVKADLTVTFGVPKIGHILFPGRDLTGKLKVANIGHPVHLINSIREVRSLLPERPRDSHKGTYGKVLIIAGSRLY-SGAPVLSGGSLKVGTGLVKLAVPFPLIATSRFPELISVPCLELSKDVDVVAIGPGLGNNEHVREFVNEFLKTEKPAVIDADAINVLD--TSVLKERKSPAVLTPHPGEARLVKKTVGDKYNYELAEEFAKENDCVLVLKSATTIVTDGEK-TLFNITGNTGLSKGGSGDVLTGIAGFIAQ--LSPLEASTVSVYLHGFAAELFEQ----DERGLTASELLRLIPEAIRRL

2ax3A

0.26

0.24

0.95

3.38

wMUSTER

--------HHKEIDELTIK-VDS-RILERAGISVVLAEEE-----LGNLSDYRFLVLCGGGNNGGDGFVVARNLLGVVKDVLVVFLGKKPDCEYNYGLYKKFGGKFEPSILNEFDVVVDAIFGTGLRGEITGEYAEIINLVNKSGKVVVSVDVPSGIDSNTGKVLRTAVKADLTVTFGVPKIGHILFPGRDLTGKLKVANIGHPINRYVITREVRSLLPERPRDSHKGTYGKVLIIAGSRLY-SGAPVLSGGSLKVGTGLVKLAVPFPLIATSRFPELISVPILELSKDVDVVAIGPGLGNNEHVREFVNEFLKTEKPAVIDADAINVLD--TSVLKERKSPAVLTPHPGEARLVKKTVGDKYNYELAEEFAKENDCVLVLKSATTIVTDGEK-TLFNITGNTGLSKGGSGDVLTGIAGFIAQ--LSPLEASTVSVYLHGFAAELFEQ----DERGLTASELLRLIPEAIRRL

2ax3A

0.26

0.25

0.95

4.35

wPPAS

--------HHKEIDELTIK-VDS-RILERAGISVVLAEEELGN-----LSDYRFLVLCGGGNNGGDGFVVARNLLGVVKDVLVVFLGKKPDCEYNYGLYKKFGGKVVEQFEPSFDVVVDAIFGTGLRGEITGEYAEIINLVNKSGKVVVSVDVPSGIDSNTGKVLRTAVKADLTVTFGVPKIGHILFPGRDLTGKLKVANIGHPVHLINSIREVRSLLPERPRDSHKGTYGKVLIIAGSRLY-SGAPVLSGGSLKVGTGLVKLAVPFPLIATSRFPELISVPCLELSKDVDVVAIGPGLGNNEHVREFVNEFLKTEKPAVIDADAINVLD--TSVLKERKSPAVLTPHPGEARLVKKTVGDKYNYELAEEFAKENDCVLVLKSATTIVTDGEK-TLFNITGNTGLSKGGSGDVLTGIAGFIAQG-LSPLEASTVSVYLHGFAAELFEQ----DERGLTASELLRLIPEAIRRL

2ax3A

0.26

0.25

0.95

9.32

dPPAS2

--------HHKEIDELTIKEVDSR-ILERAGISVVLAEEE-----LGNLSDYRFLVLCGGGNNGGDGFVVARNLLGVVKDVLVVFLGKKPDCEYNYGLYKKFGGKVVEQFEPSFDVVVDAIFGTGLRGEITGEYAEIINLVNKSGKVVVSVDVPSGIDSNTGKVLRTAVKADLTVTFGVPKIGHILFPGRDLTGKLKVANIGHPVHLINSIREVRSLLPERPRDSHKGTYGKVLIIAGSRLY-SGAPVLSGGSLKVGTGLVKLAVPFPLIATSRFPELISVPILELSKDVDVVAIGPGLGNNEHVREFVNEFLKTEKPAVIDADAINVLD--TSVLKERKSPAVLTPHPGEARLVKKTVGDKYNYELAEEFAKENDCVLVLKSATTIVTDGEK-TLFNITGNTGLSKGGSGDVLTGIAGFIAQG-LSPLEASTVSVYLHGFAAELFE----QDERGLTASELLRLIPEAIRRL

2ax3A

0.26

0.25

0.95

4.24

PPAS

--------HHKEIDELTIKEVDS-RILERAGISVVLAEEELG-----NLSDYRFLVLCGGGNNGGDGFVVARNLLGVVKDVLVVFLGKKPDCEYNYGLYKKFGGKVVEQFEPSFDVVVDAIFGTGLRGEITGEYAEIINLVNKSGKVVVSVDVPSGIDSNTGKVLRTAVKADLTVTFGVPKIGHILFPGRDLTGKLKVANIGHPVHLINITREVRSLLPERPRDSHKGTYGKVLIIAGSRLY-SGAPVLSGGSLKVGTGLVKLAVPFPLIATSRFPELISVPILELSKDVDVVAIGPGLGNNEHVREFVNEFLKTEKPAVIDADAINVLD--TSVLKERKSPAVLTPHPGEARLVKKTGDVKYNYELAEEFAKENDCVLVLKSATTIVTDGEK-TLFNITGNTGLSKGGSGDVLTGIAGFIAQG-LSPLEASTVSVYLHGFAAELFEQ----DERGLTASELLRLIPEAIRRL

2ax3A

0.26

0.25

0.95

7.04

Env-PPAS

--------HHKEIDELTIKEVDS-RILERAGISVVLAEEELGN-----LSDYRFLVLCGGGNNGGDGFVVARNLLGVVKDVLVVFLGKKPDCEYNYGLYKKFGGKVVEQFEPSFDVVVDAIFGTGLRGEITGEYAEIINLVNKSGKVVVSVDVPSGIDSNTGKVLRTAVKADLTVTFGVPKIGHILFPGRDLTGKLKVANIGHPVHLINSIREVRSLLPERPRDSHKGTYGKVLIIAGSRLY-SGAPVLSGGSLKVGTGLVKLAVPFPLIATSRFPELISVPILELSKDVDVVAIGPGLGNNEHVREFVNEFLKTEKPAVIDADAINVLD--TSVLKERKSPAVLTPHPGEARLVKKTVGDKYNYELAEEFAKENDCVLVLKSATTIVTDGEK-TLFNITGNTGLSKGGSGDVLTGIAGFIAQG-LSPLEASTVSVYLHGFAAELFEQ----DERGLTASELLRLIPEAIRRL

3k5wA

0.24

0.23

0.93

2.59

MUSTER

--SLSVYEKVNALDKRAIEELLSEDILENAA-ALERAVLQNAS------LGAKVIILCGSGDNGGDGYALARRLVG-RFRVLVFEKLTKSPCQLQKERAKKAGVVIYEENNLECDVLIDCVIGSHFKGKLEPFLN--FESLSQKARFKIACDIPSGIDS-KGRVDKRAFKADLTISGA-IKSCLLSDRAKDYVGELKVGHLGVFNPIYELEKSDLKLPLRDKKNAHKGDYGHAHVLLGK--HSGAGLLSALSALSFGSGVVSVQALECEITSNNKPLELVF-----CENFPNLLSAFALGGLENIPKDFNRWLEL-APCVLDAGVFY----HKEILQALEKEAVLTPHPKEFLSLLNINISLELLDNARDFSQKYPVVLLLKGANTLIA-HQGQVFINILGSVALAKAGSGDVLAGLILSLLSQNYTPLDAAINASLAHALASLEF-----KNNYALTPLDLIEKIKQL--E-

3k5wA

0.24

0.22

0.93

4.17

dPPAS

--SLSVYEKVNALDKRAIEEFLSEDILENAAALERAVLQN-------ASLGAKVIILCGSGDNGGDGYALARRLVGRF-RVLVFEKLTKSPCQLQKERAKKAGVVIYEENNLECDVLIDCVIGSHFKGKLEPFLN--FESLSQKARFKIACDIPSGIDSK-GRVDKRAFKADLTISGA-IKSCLLSDRAKDYVGELKVGHLGVFNPIYEIPKSDLKLPLRDKKNAHKGDYGHAHVLLGK--HSGAGLLSALSALSFGSGVVSVQALECEITSNNKPLELVF-----CENFPNLLSAFALGGLENIPKDFNRWLEL-APCVLDAGVFY----HKEILQALEKEAVLTPHPKEFLSLLNINISLELLDARDFSQKYPKVVLLLKGANTLIA-HQGQVFINILGSVALAKAGSGDVLAGLILSLLSQNYTPLDAAINASLAHALASLEF-----KNNYALTPLDLIEKIKQLE---

(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=1.09

Estimated TM-score = 0.86±0.07

Estimated RMSD = 4.9±3.2Å

Download Model 2

C-score=-1.88

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	2ax3A	0.868	2.73	0.273	0.951
2	3k5wA	0.833	2.86	0.228	0.926
3	2r3bB	0.492	2.92	0.190	0.548
4	3bgkA	0.479	3.09	0.228	0.537
5	1kyhA	0.465	3.08	0.267	0.518
6	2et6A	0.459	6.26	0.095	0.666
7	5g0iA	0.434	6.89	0.039	0.687
8	1c3qA	0.432	3.49	0.156	0.499
9	2fr0A	0.425	6.54	0.118	0.624
10	3hpdA	0.425	3.46	0.147	0.486

(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	0.28	25	3rs8A	APR	Rep, Mult	323,348,351,382,383,384,386,402,403,405,406,408,409,410,411,439
2	0.16	16	3rsfA	III	Rep, Mult	29,33,36,37,40,196,198,199,200
3	0.15	15	3rtaA	ACO	Rep, Mult	14,18,27,61,62,63,66,88,122,123,124,125,126,127,128,129,134,152,177,201
4	0.12	11	3rtdA	NAX	Rep, Mult	242,245,323,324,327,348,349,350,351,354,361,408,409,412
5	0.08	9	3rt7A	ADQ	Rep, Mult	348,349,350,354,364,383
6	0.02	2	3rt9A	COA	Rep, Mult	161,163,187,361,362,363
7	0.02	4	3rogA	T3P	Rep, Mult	10,13,14,17,27,62,66,124,152,177,178,181,203
8	0.02	2	3rq5A	COA	Rep, Mult	348,406,408,409,410,411,412
9	0.01	1	3rozA	NCA	Rep, Mult	14,17,26,27,30,66,178
10	0.01	1	3rqxA	B4P	Rep, Mult	161,182,369,394,395,396
11	0.01	1	3rqxA	B4P	Rep, Mult	204,205,207,369,393,394,395,396
12	0.01	1	3rt9A	COA	Rep, Mult	241,301,302,304
13	0.01	1	1esqB	TZP	Rep, Mult	323,324,347,411,414,415
14	0.01	1	1c3qA	TZE	Rep, Mult	249,296,416,419
15	0.01	1	1esqA	TZP	Rep, Mult	236,247,411,412,414,415
16	0.01	1	3nl5C	TZE	Rep, Mult	236,247,416

	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	2a9yA	0.406	3.66	0.102	0.478	2.7.1.20	416
2	0.060	2i5bA	0.403	3.50	0.146	0.467	2.7.4.7	NA
3	0.060	2pffB	0.408	7.37	0.094	0.674	2.3.1.86	59,64,103
4	0.060	3h74A	0.395	3.94	0.174	0.474	2.7.1.35	NA
5	0.060	1v8aA	0.425	3.46	0.147	0.486	2.7.1.50	300,351,383,385,401,409,411
6	0.060	1vi9A	0.387	4.08	0.113	0.465	2.7.1.35	416
7	0.060	2i6aA	0.394	3.74	0.104	0.467	2.7.1.20	416
8	0.060	1ej6A	0.391	7.34	0.053	0.641	2.7.7.50	59,64
9	0.060	3cqdB	0.411	3.44	0.142	0.478	2.7.1.11	NA
10	0.060	2pkfB	0.396	4.33	0.145	0.486	2.7.1.20	NA
11	0.060	3in1A	0.400	3.72	0.128	0.476	2.7.1.-	415,416
12	0.060	1esjA	0.433	3.56	0.161	0.501	2.7.1.50	300,349,351,383,385,409,411,414
13	0.060	1rfuA	0.402	4.10	0.104	0.488	2.7.1.35	NA
14	0.060	1gqtB	0.410	3.58	0.148	0.484	2.7.1.15	NA
15	0.060	2vkzG	0.413	7.43	0.055	0.685	2.3.1.38,3.1.2.14	250,254,323
16	0.060	3ewmA	0.393	3.88	0.076	0.471	2.7.1.-	NA
17	0.060	1tz3A	0.409	3.87	0.139	0.488	2.7.1.4	NA
18	0.060	2f7kA	0.404	4.54	0.094	0.507	2.7.1.35	NA
19	0.060	3dzvA	0.422	3.29	0.149	0.480	2.7.1.50	351

(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	0.840	2.87	0.23	0.93	3k5wA	GO:0000166 GO:0003824 GO:0005524 GO:0008152 GO:0016829 GO:0016853 GO:0046872 GO:0052855
1	0.33	0.501	3.00	0.20	0.56	2r3bB	GO:0000166 GO:0005524 GO:0016829 GO:0046496 GO:0052855
2	0.32	0.487	3.13	0.27	0.55	3rphA	GO:0000166 GO:0005524 GO:0016829 GO:0046496 GO:0052855
3	0.30	0.389	2.96	0.17	0.43	2dg2A	GO:0000166 GO:0005576 GO:0005615 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005929 GO:0016853 GO:0042803 GO:0043231 GO:0044297 GO:0046872 GO:0051289 GO:0052856 GO:0052857 GO:0070062
4	0.26	0.488	2.91	0.23	0.54	3bgkA	GO:0000166 GO:0005524 GO:0016829 GO:0046496 GO:0052855
5	0.23	0.879	2.80	0.28	0.97	3rssA	GO:0000166 GO:0003824 GO:0005524 GO:0008152 GO:0016829 GO:0016853 GO:0046872 GO:0052855
6	0.14	0.391	3.21	0.19	0.44	1jztA	GO:0000166 GO:0005737 GO:0005739 GO:0016853 GO:0046496 GO:0046872 GO:0052856 GO:0052857
7	0.07	0.398	3.85	0.16	0.47	3q1yA	GO:0000166 GO:0005524 GO:0005975 GO:0005988 GO:0009024 GO:0016301 GO:0016310 GO:0016740 GO:0016773 GO:2001059
8	0.06	0.414	3.73	0.13	0.49	2jg1A	GO:0000166 GO:0005524 GO:0005975 GO:0005988 GO:0009024 GO:0016301 GO:0016310 GO:0016740 GO:0016773 GO:0019512 GO:2001059
9	0.06	0.401	3.91	0.17	0.48	3h74A	GO:0000166 GO:0005524 GO:0008478 GO:0009443 GO:0016301 GO:0016310 GO:0016740
10	0.06	0.289	6.86	0.04	0.45	3bg5A	GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
11	0.06	0.258	6.44	0.06	0.39	2gmhA	GO:0004174 GO:0005739 GO:0005743 GO:0006979 GO:0009055 GO:0016020 GO:0016491 GO:0022900 GO:0043783 GO:0046872 GO:0048039 GO:0050660 GO:0051536 GO:0051539 GO:0055114
12	0.06	0.281	6.12	0.08	0.42	1yxmA	GO:0005102 GO:0005739 GO:0005777 GO:0005778 GO:0006629 GO:0006631 GO:0006633 GO:0008670 GO:0016491 GO:0019166 GO:0033306 GO:0043231 GO:0044255 GO:0055114
13	0.06	0.235	5.40	0.08	0.32	3io5B	GO:0000166 GO:0003677 GO:0003697 GO:0005524 GO:0006259 GO:0006260 GO:0006281 GO:0006310 GO:0006974 GO:0008094
14	0.06	0.234	6.88	0.03	0.36	4ztcA	GO:0003824 GO:0006486 GO:0008483 GO:0016740 GO:0047302
15	0.06	0.271	5.33	0.12	0.37	3ennB	GO:0004316 GO:0006633 GO:0016491 GO:0051287 GO:0055114 GO:0102132
16	0.06	0.227	7.40	0.03	0.37	4nyuA	GO:0003824 GO:0004099 GO:0004553 GO:0005576 GO:0005975 GO:0016787 GO:0016810 GO:0030246
17	0.06	0.250	5.80	0.11	0.35	3knzA	GO:0004360 GO:0005829 GO:0005975 GO:0006002 GO:0006047 GO:0030246
18	0.06	0.203	6.48	0.05	0.31	2xedA	GO:0016853 GO:0050076

Consensus prediction of GO terms

Molecular Function	GO:0052855	GO:0005524	GO:0046872	GO:0042802	GO:0016854	GO:0046983
GO-Score	0.83	0.83	0.64	0.60	0.60	0.60
Biological Processes	GO:0046496	GO:0051262	GO:0051260
GO-Score	0.66	0.60	0.60
Cellular Component	GO:0042995	GO:0044444	GO:1903561	GO:0031988	GO:0031981
GO-Score	0.60	0.60	0.60	0.60	0.60

(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.