I-TASSER results

I-TASSER results for job id Rv3394c

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

Input Sequence in FASTA format

>protein (527 residues)
MMASARVLAIWCMDWPAVAAAAAAGLSATAPVAVTLANRVIACSATARAAGVRRGLRRRE
AAARCPQLFIATADADRDARLFEGVIAAVDDLVPRAELLRPGLLVLPVRGPARFFGSEQM
AAERLIDAVAAAGAECQVGIADRLSTAVFAARAGRIVEPGGDARFLSLLSIRQLATEPSL
SGPGRDDLTDLLWRMGIRTIGQFAALSRTDVASRFGADAVAAHRFARGEPERAPCGREPP
PDLAAELACDPPIDRVDAAAFAGRSLAAELHRALMAAGVGCTRLAIHAVTANGEERSRVW
RCAEPLTEDATADRVRWQLDGWLNNRNARDRPTAAVTLLRLQAVETVSASEGLQLPLWGG
LGEQDRLRARRALVRVQGLLGPEAVRVPVLSGGHGPAERITLTVLGLVAPEPVPQADPGQ
PWPGRLPDPSPAVLFDDPVDLLDAQGNPIRVTSRGMFSADPARLRVRGRDDRLRWWAGPW
PDDERWWDPDRASGRTARAQVLLDGDPGTALLLCYRQRRWYLEGSYE

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MMASARVLAIWCMDWPAVAAAAAAGLSATAPVAVTLANRVIACSATARAAGVRRGLRRREAAARCPQLFIATADADRDARLFEGVIAAVDDLVPRAELLRPGLLVLPVRGPARFFGSEQMAAERLIDAVAAAGAECQVGIADRLSTAVFAARAGRIVEPGGDARFLSLLSIRQLATEPSLSGPGRDDLTDLLWRMGIRTIGQFAALSRTDVASRFGADAVAAHRFARGEPERAPCGREPPPDLAAELACDPPIDRVDAAAFAGRSLAAELHRALMAAGVGCTRLAIHAVTANGEERSRVWRCAEPLTEDATADRVRWQLDGWLNNRNARDRPTAAVTLLRLQAVETVSASEGLQLPLWGGLGEQDRLRARRALVRVQGLLGPEAVRVPVLSGGHGPAERITLTVLGLVAPEPVPQADPGQPWPGRLPDPSPAVLFDDPVDLLDAQGNPIRVTSRGMFSADPARLRVRGRDDRLRWWAGPWPDDERWWDPDRASGRTARAQVLLDGDPGTALLLCYRQRRWYLEGSYE
Prediction	CCCCCCEEEEEHCCCHHHHHHHHCCCCCCCCEEEHCCCEEEHCCHHHHHHCCCCCCCHHHHHHHCCCEEEHCCCHHHHHHHHHHHHHHHHHHCCCEEHCCCCEEEEHCCCCCCCCCCHHHHHHHHHHHHHHHCCEEEEEHCCCHHHHHHHHHHCCCCCCCHHHHHHHCCCHHHHCCCCCCCCCCCHHHHHHHHHHCCCCHHHHHHCCHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCEEEHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCEEEEEEEEHCCCCEEEEEEEHCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCEEEEEEEEEEHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCEEEEEHCCCCCCCCCEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEHCCCCCCCCCCCEEEHCCCCEEEEEHCCCCCCCCCCCCCCCCCCCEEEEEEEEHCCCCCEEEEEEHCCCEEEEEEHC
Conf.Score	99998499999599589999998887799989998798899879999998998888799999989995998799999999999999999998886676588779996789754478999999999999999899699997689899999985688888867777776587688668886446775999999999999648899879999999998599999999998999999998889988655785799999999999999999999999999989965899999999699699999995899999999999999999999987555568887899999987545777666667788876568999999999999975876477656668989754434445677877777778888888888899888878889854456799875656666778898579987754456666488777777778888777656789999679995999999689768999979
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MMASARVLAIWCMDWPAVAAAAAAGLSATAPVAVTLANRVIACSATARAAGVRRGLRRREAAARCPQLFIATADADRDARLFEGVIAAVDDLVPRAELLRPGLLVLPVRGPARFFGSEQMAAERLIDAVAAAGAECQVGIADRLSTAVFAARAGRIVEPGGDARFLSLLSIRQLATEPSLSGPGRDDLTDLLWRMGIRTIGQFAALSRTDVASRFGADAVAAHRFARGEPERAPCGREPPPDLAAELACDPPIDRVDAAAFAGRSLAAELHRALMAAGVGCTRLAIHAVTANGEERSRVWRCAEPLTEDATADRVRWQLDGWLNNRNARDRPTAAVTLLRLQAVETVSASEGLQLPLWGGLGEQDRLRARRALVRVQGLLGPEAVRVPVLSGGHGPAERITLTVLGLVAPEPVPQADPGQPWPGRLPDPSPAVLFDDPVDLLDAQGNPIRVTSRGMFSADPARLRVRGRDDRLRWWAGPWPDDERWWDPDRASGRTARAQVLLDGDPGTALLLCYRQRRWYLEGSYE
Prediction	74342000000000000000234365225100000222000000220162403301103302410140000211262024004200300340011001020300000000023113003300420151046140100000000000001004234114264034003500043025110111222530051036120300000171336202510352022001101011623053533152012223034302114101300330043005104636130200000011251432212230330222221013003201510463145121000000000102422536442235044556554233034004313733364142201116231111000000123325443344545231244124111010143023023242210101332111120010113333220100110010041003456352200000000004601000000044100000203
	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                 500                 520

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

Sec.Str
Seq

CCCCCCEEEEEHCCCHHHHHHHHCCCCCCCCEEEHCCCEEEHCCHHHHHHCCCCCCCHHHHHHHCCCEEEHCCCHHHHHHHHHHHHHHHHHHCCCEEHCCCCEEEEHCCCCCCCCCCHHHHHHHHHHHHHHHCCEEEEEHCCCHHHHHHHHHHCCCCCCCHHHHHHHCCCHHHHCCCCCCCCCCCHHHHHHHHHHCCCCHHHHHHCCHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCEEEHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCEEEEEEEEHCCCCEEEEEEEHCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCEEEEEEEEEEHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCEEEEEHCCCCCCCCCEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEHCCCCCCCCCCCEEEHCCCCEEEEEHCCCCCCCCCCCCCCCCCCCEEEEEEEEHCCCCCEEEEEEHCCCEEEEEEHC
MMASARVLAIWCMDWPAVAAAAAAGLSATAPVAVTLANRVIACSATARAAGVRRGLRRREAAARCPQLFIATADADRDARLFEGVIAAVDDLVPRAELLRPGLLVLPVRGPARFFGSEQMAAERLIDAVAAAGAECQVGIADRLSTAVFAARAGRIVEPGGDARFLSLLSIRQLATEPSLSGPGRDDLTDLLWRMGIRTIGQFAALSRTDVASRFGADAVAAHRFARGEPERAPCGREPPPDLAAELACDPPIDRVDAAAFAGRSLAAELHRALMAAGVGCTRLAIHAVTANGEERSRVWRCAEPLTEDATADRVRWQLDGWLNNRNARDRPTAAVTLLRLQAVETVSASEGLQLPLWGGLGEQDRLRARRALVRVQGLLGPEAVRVPVLSGGHGPAERITLTVLGLVAPEPVPQADPGQPWPGRLPDPSPAVLFDDPVDLLDAQGNPIRVTSRGMFSADPARLRVRGRDDRLRWWAGPWPDDERWWDPDRASGRTARAQVLLDGDPGTALLLCYRQRRWYLEGSYE

4ir1F

0.17

0.11

0.62

2.09

MUSTER

---GSRKIIHVDMDFFAAVEMRDNPALRDIPIAIGGRGVISTANYPARKFGVRSAMPTGMALKLCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNE-LTASAGVAPVKFLAKIASDMNKVITPAEVPAFLQTLPLAKIPGVG-------KVSAAKLEAMGLRTCGDVQKCDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKVDLLIARQGVKLKFDDFQQTTQEHVW--PRLNKADLIATARKTWDERR-------GGRGVRLVGLHVTLLDP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4ir1F

0.17

0.11

0.62

4.41

dPPAS

---GSRKIIHVDMDFFAAVEMRDNPALRDIPIAIGGRGVISTANYPARKFGVRSAMPTGMALKLCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNELLTASAGVAPVKFLAKIASDMNKVITPAEVPAFLQTLPLAKIPGVG-------KVSAAKLEAMGLRTCGDVQKCDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKPDLLIARQGVKLKFDDFQQTTQEHVW--PRLNKADLIATARKTWDERR-------GGRGVRLVGLHVTLLDP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4ir1F

0.17

0.11

0.62

5.09

wdPPAS

---GSRKIIHVDMDFFAAVEMRDNPALRDIPIAIGGRGVISTANYPARKFGVRSAMPTGMALKLCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNE-LTASAGVAPVKFLAKIASDMNKVITPAEVPAFLQTLPLAKIPGVG-------KVSAAKLEAMGLRTCGDVQKCDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKPDLLIARQGVKLKFDDFQQTTQEHVW--PRLNKADLIATARKTWDERR-------GGRGVRLVGLHVTLLDP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4ir1F

0.17

0.11

0.62

2.82

wMUSTER

----SRKIIHVDMDFFAAVEMRDNPALRDIPIAIGGRGVISTANYPARKFGVRSAMPTGMALKLCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNE-LTASAGVAPVKFLAKIASDMNKVITPAEVPAFLQTLPLAKIPGVG-------KVSAAKLEAMGLRTCGDVQKCDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKVDLLIARQGVKLKFDDFQQTTQEHVW--PRLNKADLIATARKTWDERR-------GGRGVRLVGLHVTLLDP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4ir1F

0.17

0.11

0.62

3.91

wPPAS

---GSRKIIHVDMDFFAAVEMRDNPALRDIPIAIGGRGVISTANYPARKFGVRSAMPTGMALKLCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNE-LTASAGVAPVKFLAKIASDMNKVITPAEVPAFLQTLPLAKIPGVG-------KVSAAKLEAMGLRTCGDVQKCDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKPDLLIARQGVKLKFDDFQQTTQEHVW--PRLNKADLIATARKTWDERR-------GGRGVRLVGLHVTLLDP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4ir1F

0.17

0.11

0.62

7.58

dPPAS2

---GSRKIIHVDMDFFAAVEMRDNPALRDIPIAIGGRGVISTANYPARKFGVRSAMPTGMALKLCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNELLTASAGVAPVKFLAKIASDMNKVITPAEVPAFLQTLPLAKIPGVG-------KVSAAKLEAMGLRTCGDVQKCDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKPDLLIARQGVKLKFDDFQQTTQEHVW--PRLNKADLIATARKTWDERR-------GGRGVRLVGLHVTLLDP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4ir1F

0.17

0.11

0.62

3.51

PPAS

---GSRKIIHVDMDFFAAVEMRDNPALRDIPIAIGGRGVISTANYPARKFGVRSAMPTGMALKLCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNE-LTASAGVAPVKFLAKIASDMNKVITPAEVPAFLQTLPLAKIPGVG-------KVSAAKLEAMGLRTCGDVQKCDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKPDLLIARQGVKLKFDDFQQTTQEHVW--PRLNKADLIATARKTWDERR-------GGRGVRLVGLHVTLLDP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4ir1F

0.17

0.11

0.62

6.05

Env-PPAS

---GSRKIIHVDMDFFAAVEMRDNPALRDIPIAIGGRGVISTANYPARKFGVRSAMPTGMALKLCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNELLTASAGVAPVKFLAKIASDMNKVITPAEVPAFLQTLPLAKIPGVG-------KVSAAKLEAMGLRTCGDVQKCDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKPDLLIARQGVKLKFDDFQQTTQEHVW--PRLNKADLIATARKTWDERR-------GGRGVRLVGLHVTLLDP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3fdsA

0.14

0.09

0.64

2.03

MUSTER

MI-----VLFVDFDFYAQVEEVLNPSLKGKPVVVCVSGAVATANYEARKFGVKAGIPIVEAKKILPNAVYLPMRKEVYQQVSSRIMNLLREYSEKIEIASIDEAYLDISDKVRDYREAYNLGLEIKNKILEK-ITVTVGISKNKVFAKIAADMAKVIDDEEVKRLIRELDIADVPGIG-------NITAEKLKKLGINKLVDTLSIEFDKLKGMIEAKAKYLISLARDEYNEPIRT-RVRKSIGRIVTMKRNSRNLEEIKPYLFRAIEESYYKLD--KRIPKAIHVVAVTEDLDIVSRGRTFPHGISKETAYSESVKLLQKILEED------ERKIRRIGVRFSKFIEAI---GLDKFFDT----------------------------------------------------------------------------------------------------------------------------------------------------------------------

3fdsA

0.13

0.09

0.64

4.16

dPPAS

-----MIVLFVDFDFYAQVEEVLNPSLKGKPVVVCVSGAVATANYEARKFGVKAGIPIVEAKKILPNAVYLPMRKEVYQQVSSRIMNLLREYSEKIEIASIDEAYLDISDKVRDYREAYNLGLEIKNKILEKEITVTVGISKNKVFAKIAADMAKVIDDEEVKRLIRELDIADVPGIG-------NITAEKLKKLGINKLVDTLSIEFDKLKGMIEAKAKYLISLARDEYNEPIRT-RVRKSIGRIVTMKRNSRNLEEIKPYLFRAIEESYYKLD--KRIPKAIHVVAVTEDLDIVSRGRTFPHGISKETAYSESVKLLQKILEED------ERKIRRIGVRFSKFIEAI---GLDKFFDT----------------------------------------------------------------------------------------------------------------------------------------------------------------------

(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=-1.56

Estimated TM-score = 0.52±0.15

Estimated RMSD = 11.1±4.6Å

Download Model 2

C-score=-2.65

Download Model 3

C-score=-1.31

Download Model 4

C-score=-1.47

Download Model 5

C-score=-1.22

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	4ir1F	0.615	1.07	0.173	0.624
2	2oh2B	0.598	2.15	0.159	0.632
3	3gqcB	0.566	2.92	0.153	0.628
4	3mr2A	0.565	3.19	0.194	0.636
5	1t3nA	0.548	3.12	0.165	0.621
6	2aq4A	0.542	3.65	0.099	0.632
7	2r8jA	0.513	4.37	0.144	0.632
8	3bq1A	0.490	4.14	0.116	0.573
9	3fdsA	0.441	3.17	0.129	0.482
10	4dezA	0.402	2.01	0.224	0.423

(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	132	4f4xA	NUC	Rep, Mult	36,37,38,39,55,57,59,60,63,99,215,217,218,238,239,240,241,242,243,244,245,246,248,273,293,337,338,342
2	0.10	68	2alzA	DCP	Rep, Mult	12,13,14,15,16,41,42,45,48,54,102
3	0.06	48	3gijA	NUC	Rep, Mult	100,102,103,148,175,176,177,178,186,187,188,285,296,297,298,299,300,301,321,345
4	0.04	25	4jv0A	NUC	Rep, Mult	16,36,38,39,75,216,217,235,240,241,242,243,244,245,246,248,273,337,338,342
5	0.04	28	2au0B	NUC	Rep, Mult	41,42,54,55,102,103,176,178,186,188,191,218,294,295,296,297,298,299,301,345
6	0.03	23	2aslB	NUC	Rep, Mult	16,41,102,103,176,177,178,186,188,191,297,298,299,300,301
7	0.02	15	2w7oB	CA	Rep, Mult	12,13,14,102
8	0.01	5	3pvxA	NUC	Rep, Mult	16,73,75,216,217,235,240,241,242,243,244,245,273,295,342
9	0.01	10	3in5A	MG	Rep, Mult	172,174,177
10	0.01	5	3g6vA	ATP	Rep, Mult	13,14,15,16,36,41,42,45,48,54,55,102
11	0.01	8	1s0nA	CA	Rep, Mult	12,102,103,155
12	0.00	2	3khrA	AF	Rep, Mult	244,245,246,285,287,341,342
13	0.00	2	3gqcB	NUC	Rep, Mult	99,100,103,148,174,175,176,177,178,186,187,188,283,297,299
14	0.00	1	3khgB	NUC	Rep, Mult	176,178,187,188,294,296,297,298,299
15	0.00	1	3v6kJ	CA	Rep, Mult	91,92
16	0.00	1	3pw7A	CA	Rep, Mult	45,48,155
17	0.00	1	2ia6B	BAP	Rep, Mult	269,272,273
18	0.00	1	2w7oA	CA	Rep, Mult	12,151,152,155
19	0.00	1	3v6hA	CA	Rep, Mult	75,100,101
20	0.00	3	3ngdA	NUC	Rep, Mult	36,37,38,39,41,75,240,241,242,243,244,246,248,273,289

	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	0.148	3mr2A	0.565	3.19	0.194	0.636	2.7.7.7	42,49
2	0.060	1h16A	0.332	7.81	0.047	0.554	2.3.1.54	NA
3	0.060	1kfyA	0.297	7.94	0.034	0.505	1.3.99.1	158
4	0.060	1mswD	0.280	7.50	0.050	0.454	2.7.7.6	NA
5	0.060	2r8jA	0.513	4.37	0.144	0.632	2.7.7.7	13,41,48,54
6	0.060	1jnrA	0.319	8.08	0.056	0.545	1.8.99.2	NA
7	0.060	1cgtA	0.296	7.11	0.024	0.465	2.4.1.19	NA
8	0.060	2oh2B	0.598	2.15	0.159	0.632	2.7.7.7	70
9	0.060	3bq1A	0.490	4.14	0.116	0.573	2.7.7.7	48,55
10	0.060	2imwP	0.588	2.37	0.130	0.626	2.7.7.7	51,55
11	0.060	1bxrA	0.316	7.38	0.053	0.499	6.3.5.5	143
12	0.060	1a47A	0.279	7.27	0.033	0.442	2.4.1.19	483
13	0.060	1lwdA	0.307	6.45	0.039	0.446	1.1.1.42	190
14	0.060	1t3nA	0.548	3.12	0.165	0.621	2.7.7.7	48
15	0.060	1d7fA	0.296	6.87	0.035	0.454	2.4.1.19	NA
16	0.060	1s76D	0.269	7.69	0.044	0.454	2.7.7.6	NA
17	0.060	1n1hA	0.297	8.14	0.039	0.512	2.7.7.48	NA
18	0.060	9cgtA	0.298	6.86	0.027	0.454	2.4.1.19	87,122,130
19	0.060	3cirM	0.275	7.69	0.040	0.459	1.3.99.1	NA
20	0.060	1kf6A	0.314	7.89	0.062	0.529	1.3.99.1	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	0.25	0.582	2.07	0.14	0.61	4f4zA	GO:0000287 GO:0003677 GO:0003684 GO:0003887 GO:0005737 GO:0006260 GO:0006261 GO:0006281 GO:0006974 GO:0016740 GO:0016779 GO:0046872 GO:0071897
1	0.22	0.441	3.17	0.13	0.48	3fdsA	GO:0000287 GO:0003677 GO:0003684 GO:0003887 GO:0005737 GO:0006260 GO:0006261 GO:0006281 GO:0006974 GO:0016740 GO:0016779 GO:0046872 GO:0071897
2	0.20	0.566	3.33	0.19	0.64	4ecwA	GO:0000731 GO:0003677 GO:0003684 GO:0003887 GO:0005634 GO:0005654 GO:0005737 GO:0006260 GO:0006281 GO:0006282 GO:0006290 GO:0006301 GO:0006974 GO:0010225 GO:0016740 GO:0016779 GO:0019985 GO:0046872 GO:0070987 GO:0071494 GO:0071897
3	0.19	0.612	1.21	0.17	0.62	5c5jA	GO:0000287 GO:0003677 GO:0003684 GO:0003887 GO:0005737 GO:0006260 GO:0006261 GO:0006281 GO:0006974 GO:0016740 GO:0016779 GO:0046872 GO:0071897
4	0.18	0.595	2.33	0.16	0.63	3pzpB	GO:0003677 GO:0003684 GO:0003887 GO:0005634 GO:0005654 GO:0006260 GO:0006281 GO:0006283 GO:0006296 GO:0006297 GO:0006974 GO:0016740 GO:0016779 GO:0019985 GO:0033683 GO:0042276 GO:0043231 GO:0046872 GO:0071897
5	0.17	0.607	1.11	0.17	0.62	4r8uB	GO:0000287 GO:0000731 GO:0003677 GO:0003684 GO:0003887 GO:0005737 GO:0006260 GO:0006261 GO:0006281 GO:0006974 GO:0009432 GO:0016740 GO:0016779 GO:0019985 GO:0046872
6	0.16	0.548	3.73	0.15	0.64	3ohaA	GO:0003677 GO:0003684 GO:0003887 GO:0005634 GO:0005657 GO:0005739 GO:0006260 GO:0006281 GO:0006974 GO:0007059 GO:0007064 GO:0016740 GO:0016779 GO:0042276 GO:0046872 GO:0070987 GO:0071897
7	0.15	0.548	3.12	0.17	0.62	1t3nA	GO:0003677 GO:0003684 GO:0003887 GO:0005622 GO:0005634 GO:0005654 GO:0006260 GO:0006281 GO:0006974 GO:0016740 GO:0016779 GO:0019985 GO:0042276 GO:0043231 GO:0046872 GO:0071897
8	0.15	0.566	2.92	0.15	0.63	3gqcB	GO:0003677 GO:0003684 GO:0005634 GO:0005654 GO:0006260 GO:0006281 GO:0006974 GO:0009411 GO:0016740 GO:0016779 GO:0017125 GO:0019985 GO:0042276 GO:0046872 GO:0071897
9	0.15	0.579	2.30	0.14	0.62	4f4wA	GO:0000287 GO:0003677 GO:0003684 GO:0003887 GO:0005737 GO:0006260 GO:0006261 GO:0006281 GO:0006974 GO:0016740 GO:0016779 GO:0046872 GO:0071897
10	0.10	0.490	4.14	0.12	0.57	3bq1A	GO:0000287 GO:0003677 GO:0003684 GO:0003887 GO:0005737 GO:0006260 GO:0006261 GO:0006281 GO:0006974 GO:0016740 GO:0016779 GO:0046872 GO:0071897
11	0.08	0.542	3.65	0.10	0.63	2aq4A	GO:0000790 GO:0003677 GO:0003684 GO:0003887 GO:0005634 GO:0005657 GO:0005739 GO:0006281 GO:0006974 GO:0016740 GO:0016779 GO:0017125 GO:0042276 GO:0046872 GO:0070987 GO:0071897
12	0.06	0.421	2.96	0.13	0.45	1t94A	GO:0003677 GO:0003684 GO:0003887 GO:0005634 GO:0005654 GO:0006260 GO:0006281 GO:0006283 GO:0006296 GO:0006297 GO:0006974 GO:0016740 GO:0016779 GO:0019985 GO:0033683 GO:0042276 GO:0043231 GO:0046872 GO:0071897
13	0.06	0.402	2.01	0.22	0.42	4dezA	GO:0000287 GO:0003677 GO:0003684 GO:0003887 GO:0005737 GO:0006260 GO:0006261 GO:0006281 GO:0006974 GO:0016740 GO:0016779 GO:0046872 GO:0071897
14	0.06	0.243	7.72	0.05	0.40	2y51A	GO:0000166 GO:0008152 GO:0016491 GO:0016620 GO:0055114
15	0.06	0.253	7.69	0.02	0.42	1s48A	GO:0000166 GO:0001172 GO:0003723 GO:0003968 GO:0004175 GO:0004197 GO:0004252 GO:0004386 GO:0005216 GO:0005524 GO:0006508 GO:0006810 GO:0006811 GO:0008026 GO:0008233 GO:0008234 GO:0008236 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0016817 GO:0017111 GO:0019012 GO:0019062 GO:0019079 GO:0019082 GO:0030430 GO:0030683 GO:0033644 GO:0033650 GO:0033897 GO:0034220 GO:0039503 GO:0039520 GO:0039548 GO:0039654 GO:0039663 GO:0039694 GO:0039707 GO:0042025 GO:0044161 GO:0044177 GO:0044228 GO:0044385 GO:0046718 GO:0051259 GO:0055036 GO:0070008 GO:0075509 GO:0075512 GO:0090502
16	0.06	0.244	8.09	0.03	0.42	2cjqA	GO:0000166 GO:0001172 GO:0003723 GO:0003968 GO:0004175 GO:0004197 GO:0004252 GO:0004386 GO:0005216 GO:0005524 GO:0006508 GO:0006810 GO:0006811 GO:0008026 GO:0008233 GO:0008234 GO:0008236 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0016817 GO:0017111 GO:0019012 GO:0019062 GO:0019079 GO:0019082 GO:0030683 GO:0033644 GO:0033897 GO:0034220 GO:0039503 GO:0039520 GO:0039548 GO:0039654 GO:0039663 GO:0039694 GO:0039707 GO:0044228 GO:0044385 GO:0046718 GO:0051259 GO:0055036 GO:0070008 GO:0075509 GO:0075512 GO:0090502
17	0.06	0.191	2.07	0.12	0.20	1unnD	GO:0000287 GO:0000731 GO:0003677 GO:0003684 GO:0003887 GO:0005737 GO:0006260 GO:0006261 GO:0006281 GO:0006974 GO:0009432 GO:0016740 GO:0016779 GO:0019985 GO:0046872
18	0.06	0.183	7.20	0.05	0.29	3l0gC	GO:0003824 GO:0004514 GO:0009435 GO:0016740 GO:0016757 GO:0016763 GO:0019363

Consensus prediction of GO terms

Molecular Function	GO:0003684	GO:0003887	GO:0000287
GO-Score	0.69	0.69	0.53
Biological Processes	GO:0006261	GO:0010225	GO:0034644	GO:0051052	GO:2001020	GO:0033683	GO:0019985
GO-Score	0.53	0.41	0.41	0.41	0.41	0.35	0.35
Cellular Component	GO:0005737	GO:0005654
GO-Score	0.62	0.35

(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.