I-TASSER results

I-TASSER results for job id Rv3439c

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

Input Sequence in FASTA format

>protein (467 residues)
MADRLNVAERLAEGRPAAEHTQSYVRACHLVGYQHPDLTAYPAQIHDWYGSEDGLDLHAL
DADCAQLRAAASVLMEALRMERSQVAVLAAAWTGSGADAAVHFVQRHCETGNSVVTEVRA
AAQRCESLRDNLWQLVDSKVATAIAIDERALAQRPAWLAAAEALTTEGADRPTAVEVVRQ
QIQPYVDDDVRNDWLTTMRSTTAGVAASYDAVTDQLASAPRAHFEIPDDLGPGRQPSPAS
VPAQPSATAAITPAAALPPPDPVPAVTSRPVTPSDFGSAPGDGSATPAGVGSAGGFGDAG
GTGGLGGFAGLAGLANRIVDAVDSLLGSVAEQLGDPLAADNPPGAVDPFAEDAADNADDG
DDAHPEEADEAAEPKEATEPDEADEVDDADESVPAERAQDVAEEATLPPVAEPPPPAAPP
VAEPPPPVAAPAPPGAPEPANGPSPEALSEGATPCEIAADELPQAGP

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MADRLNVAERLAEGRPAAEHTQSYVRACHLVGYQHPDLTAYPAQIHDWYGSEDGLDLHALDADCAQLRAAASVLMEALRMERSQVAVLAAAWTGSGADAAVHFVQRHCETGNSVVTEVRAAAQRCESLRDNLWQLVDSKVATAIAIDERALAQRPAWLAAAEALTTEGADRPTAVEVVRQQIQPYVDDDVRNDWLTTMRSTTAGVAASYDAVTDQLASAPRAHFEIPDDLGPGRQPSPASVPAQPSATAAITPAAALPPPDPVPAVTSRPVTPSDFGSAPGDGSATPAGVGSAGGFGDAGGTGGLGGFAGLAGLANRIVDAVDSLLGSVAEQLGDPLAADNPPGAVDPFAEDAADNADDGDDAHPEEADEAAEPKEATEPDEADEVDDADESVPAERAQDVAEEATLPPVAEPPPPAAPPVAEPPPPVAAPAPPGAPEPANGPSPEALSEGATPCEIAADELPQAGP
Prediction	CCCCCCHHHHHHHCHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHEEEHCCCCCCCCCCCCHHHHHCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	99887788888875799999999999999986888887778556666545677754889999999999999999999999999999999874687558999999999998999999999999999999999999986665544554565556676543445444578888765566666546777777777777666667888888777888888888999999999899999999999999999999999999999999999999999999999999999999999999999999999999999999999998998889999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MADRLNVAERLAEGRPAAEHTQSYVRACHLVGYQHPDLTAYPAQIHDWYGSEDGLDLHALDADCAQLRAAASVLMEALRMERSQVAVLAAAWTGSGADAAVHFVQRHCETGNSVVTEVRAAAQRCESLRDNLWQLVDSKVATAIAIDERALAQRPAWLAAAEALTTEGADRPTAVEVVRQQIQPYVDDDVRNDWLTTMRSTTAGVAASYDAVTDQLASAPRAHFEIPDDLGPGRQPSPASVPAQPSATAAITPAAALPPPDPVPAVTSRPVTPSDFGSAPGDGSATPAGVGSAGGFGDAGGTGGLGGFAGLAGLANRIVDAVDSLLGSVAEQLGDPLAADNPPGAVDPFAEDAADNADDGDDAHPEEADEAAEPKEATEPDEADEVDDADESVPAERAQDVAEEATLPPVAEPPPPAAPPVAEPPPPVAAPAPPGAPEPANGPSPEALSEGATPCEIAADELPQAGP
Prediction	74741410311451240053044003002200142230233433023113343011020033004303400310440143144314401300324215102400440151033014303400530430052004104440420202334333421202100220344344453145203540432146515441231045235424532542166245634253634654446444444543454445454545544446545245565344465355455645544454454445465424645334443443554425446544544555465245376345465245664665564664552652654664753564654465635636527526555526526547553663654565752643755642752646744636537646525536577536768
	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

CCCCCCHHHHHHHCHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHEEEHCCCCCCCCCCCCHHHHHCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MADRLNVAERLAEGRPAAEHTQSYVRACHLVGYQHPDLTAYPAQIHDWYGSEDGLDLHALDADCAQLRAAASVLMEALRMERSQVAVLAAAWTGSGADAAVHFVQRHCETGNSVVTEVRAAAQRCESLRDNLWQLVDSKVATAIAIDERALAQRPAWLAAAEALTTEGADRPTAVEVVRQQIQPYVDDDVRNDWLTTMRSTTAGVAASYDAVTDQLASAPRAHFEIPDDLGPGRQPSPASVPAQPSATAAITPAAALPPPDPVPAVTSRPVTPSDFGSAPGDGSATPAGVGSAGGFGDAGGTGGLGGFAGLAGLANRIVDAVDSLLGSVAEQLGDPLAADNPPGAVDPFAEDAADNADDGDDAHPEEADEAAEPKEATEPDEADEVDDADESVPAERAQDVAEEATLPPVAEPPPPAAPPVAEPPPPVAAPAPPGAPEPANGPSPEALSEGATPCEIAADELPQAGP

5gaoE

0.19

0.14

0.72

1.22

MUSTER

----------------------------------------------------------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA---------------AAAAAAAAAAAAAAAA-----AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKS

4ut1A

0.10

0.09

0.97

1.05

MUSTER

-------SNQLNAAQTQGSSLSTYYTLVAQL-VGSPT-AGIATAITNYFTG-----LQTVANDPSARQTAMSNAQTLASQLVAAGQQYSQLRQS-VNSQLTDTVTQINSYTSQIAQLNEQIASASNQLLDQRDLAVSKLSQASYQLATVASPSDPSELTIVSKGVAGSAQPGPTQYLPDVSLTGGALGAFRSQTLDPAQAQNALGVDMSGNPGGSLFAVGAPAVYANQNNTGSATLSVSFVDGTQPTTSDYALSYDGAKYTLTDRATGSVVGTATPSSTPPTMTIGGLKLSLSSTPNAGDSFTVLPTRGALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGYQLPSGTTTLAYNAASKTLSGFPVGTTVTIAGTPPTSINITSATTPVPYDPSKGASMTISSTTQPAPSGVMNGVSVSLSGTPADGDQFTIGANKGTNDGRNALALSQSKTMNNGT

5gaoE

0.20

0.14

0.72

1.32

dPPAS

------------------------------------------------------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA----------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK-----

4ut1A

0.08

0.97

1.11

PPAS

-------SNQLNAAQTQGSSLSTYYTLVAQL-VGSPT-AGIATAITNYFTG-----LQTVANDPSARQTAMSNAQTLASQLVAAGQQYSQLRQSSQLTDTVTQINSYTSQIAQLNEQIASASNQLLDQRDLAVSKLSQLAGVQVVQSNFLSGGQPGNASYQLATVASPSDPSELTIVSKGVAGSAQPGPTQYLPDVSLTGGALGGLLALGVDMSGNPGGSLFAVGAPAVYANQNNTGSATLSVSFVDGTQPTTSDYALSYDGAKYTLTDRATGSVVGTATPSSTPPTMTSSTPNAGDSFTVLPTRGALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGYQLPSGTTTLAYNAASKTLSGFPVGTTVTIAGTPPTSINITSATTPVPYDPSKGASMTISSTTQPAPSGVMNGVSVSLSGTPADGDQFTIGANKGTNDGRNALALSQLVNSKTMNNGT

5gaoE

0.22

0.15

0.71

1.00

wMUSTER

------------------------------------------------------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA---AAAAAAAAAAAAAAAA-------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFH

1vt4I3

0.11

0.10

0.93

1.11

PPAS

---------------EYALHRSIVDHYNIPKTFDSDDLIPPY--LDQYFYSHIGHHLKNIE--HPERMTLFRMVFLDFRFLEQKIRHDSTAWNASGS---LNTLQQLKFYKPYICDNDPKYERLVNAILDFLPKI-----------EENLICSKYTDLLRIALMAEDEAIFEEAHKQVQRGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

5gaoE

0.22

0.15

0.71

1.11

wPPAS

------------------------------------------------------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA---AAAAAAAAAAAAAAAA-------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFH

5gaoE

0.21

0.15

0.70

0.71

wdPPAS

------------------------------------------------------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA--AAAAAAAAAAAAAAAA---------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEA----GTKSNKK---

5gaoE

0.20

0.15

0.72

1.90

dPPAS2

------------------------------------------------------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA----------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK-----

5gaoE

0.20

0.15

0.72

1.91

PPAS

------------------------------------------------------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA-------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK--

(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=-3.28

Estimated TM-score = 0.35±0.12

Estimated RMSD = 15.4±3.4Å

Download Model 2

C-score=-4.05

Download Model 3

C-score=-4.46

Download Model 4

C-score=-2.63

Download Model 5

C-score=-5.00

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	4ut1A	0.898	2.56	0.096	0.970
2	2d4yA	0.637	3.47	0.088	0.722
3	5a22A	0.390	7.72	0.052	0.672
4	5dotA	0.371	6.92	0.033	0.587
5	4f4cA	0.371	7.09	0.035	0.600
6	4r04A	0.371	7.29	0.041	0.619
7	3g61A	0.367	7.06	0.046	0.585
8	3ixzA	0.363	7.05	0.054	0.578
9	4bxsV	0.363	7.37	0.033	0.604
10	3saeA	0.362	7.46	0.035	0.612

(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	0.07	4	2ckjB	FES	Rep, Mult	230,231,232,233,296,297,301
2	0.04	2	3fbyC	CA	Rep, Mult	387,389,391,393,394,400
3	0.04	2	4ty0A	MG	Rep, Mult	359,361
4	0.04	2	5l8gV	CA	Rep, Mult	117,128,131
5	0.04	2	4edgA	MN	Rep, Mult	13,61,63
6	0.02	1	1ecyA	UUU	Rep, Mult	454,456,464
7	0.02	1	2vn4A	MAN	Rep, Mult	252,253
8	0.02	1	3favC	ZN	Rep, Mult	52,56
9	0.02	1	1v97A	FES	Rep, Mult	226,227,231,233,234,235,236,297
10	0.02	1	3wmoP	BCL	Rep, Mult	88,89
11	0.02	1	1i40A	CA	Rep, Mult	384,388
12	0.02	1	3attA	MG	Rep, Mult	147,148
13	0.02	1	4x23P	III	Rep, Mult	73,76
14	0.02	1	5jqhB	CLR	Rep, Mult	114,139,140
15	0.02	1	4amjB	2CV	Rep, Mult	68,69
16	0.02	1	3ze3D	78M	Rep, Mult	78,81,85,89
17	0.02	1	2e84A	ZN	Rep, Mult	396,400
18	0.02	1	2ckjD	PO4	Rep, Mult	260,278,280,282,295
19	0.02	1	1wygA	CA	Rep, Mult	327,445,446,447,449
20	0.02	1	3wmnU	CRT	Rep, Mult	103,114

	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	1bglA	0.328	7.50	0.051	0.548	3.2.1.23	370
2	0.060	3btaA	0.326	6.07	0.027	0.463	3.4.24.69	NA
3	0.060	1fa9A	0.314	7.23	0.040	0.518	2.4.1.1	NA
4	0.060	2cseW	0.326	7.56	0.038	0.557	3.6.4.13	NA
5	0.060	1z0hB	0.257	6.72	0.056	0.405	3.4.24.69	NA
6	0.060	1e1yA	0.300	7.35	0.036	0.497	2.4.1.1	453
7	0.060	2x58A	0.324	7.08	0.047	0.518	5.3.3.8,4.2.1.17,1.1.1.35	NA
8	0.060	2rhqB	0.313	7.40	0.046	0.522	6.1.1.20	NA
9	0.060	1zcjA	0.244	7.56	0.056	0.418	1.1.1.35	NA
10	0.060	1h16A	0.345	7.83	0.038	0.608	2.3.1.54	NA
11	0.060	2vuaA	0.267	7.40	0.015	0.450	3.4.24.69	NA
12	0.060	1s46A	0.317	7.20	0.049	0.518	2.4.1.4	NA
13	0.060	1g5aA	0.317	7.22	0.049	0.518	2.4.1.4	NA
14	0.060	3k1dA	0.315	6.99	0.039	0.503	2.4.1.18	350
15	0.060	3b8eA	0.328	7.51	0.037	0.544	3.6.3.9	NA
16	0.060	2vdcF	0.316	7.71	0.030	0.548	1.4.1.13	NA
17	0.060	3b9jI	0.138	4.84	0.066	0.180	1.17.1.4,1.17.3.2	NA
18	0.060	1w27A	0.323	7.65	0.053	0.555	4.3.1.24	NA
19	0.060	3b9jJ	0.194	6.39	0.018	0.289	1.17.1.4,1.17.3.2	217

(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	0.22	0.898	2.56	0.10	0.97	4ut1A	GO:0005198 GO:0009424 GO:0044780
1	0.07	0.637	3.47	0.09	0.72	2d4yA	GO:0005198 GO:0005576 GO:0009288 GO:0009424 GO:0044780 GO:0071973
2	0.06	0.267	8.03	0.03	0.48	4n0rA	GO:0005975
3	0.06	0.253	7.63	0.05	0.44	3ictA	GO:0000166 GO:0003756 GO:0005623 GO:0016491 GO:0045454 GO:0050451 GO:0050660 GO:0050661 GO:0055114
4	0.06	0.251	7.25	0.06	0.41	4cnjA	GO:0000166 GO:0016491 GO:0055114
5	0.06	0.234	6.59	0.05	0.36	1n8pA	GO:0003824 GO:0003962 GO:0004123 GO:0005737 GO:0008652 GO:0016829 GO:0019343 GO:0019344 GO:0019346 GO:0030170 GO:0042802 GO:0044540 GO:0071266 GO:0080146
6	0.06	0.254	7.28	0.05	0.42	2wssA	GO:0000166 GO:0005524 GO:0005739 GO:0005743 GO:0005753 GO:0005886 GO:0006754 GO:0006810 GO:0006811 GO:0015986 GO:0015991 GO:0015992 GO:0016020 GO:0016820 GO:0033178 GO:0045261 GO:0046034 GO:0046933 GO:0046961
7	0.06	0.212	7.36	0.04	0.35	3v7dB	GO:0000082 GO:0000086 GO:0004842 GO:0005634 GO:0007049 GO:0007067 GO:0007126 GO:0016363 GO:0016567 GO:0019005 GO:0030435 GO:0031146 GO:0042787 GO:0043130 GO:0043224 GO:0050815 GO:0051301 GO:0061630
8	0.06	0.232	7.50	0.06	0.40	3peiA	GO:0004177 GO:0005622 GO:0005737 GO:0006508 GO:0008233 GO:0008235 GO:0016787 GO:0019538 GO:0030145 GO:0046872
9	0.06	0.214	6.96	0.05	0.35	4pmxA	GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0031176 GO:0045493 GO:0046872
10	0.06	0.204	6.80	0.04	0.33	2exxA	GO:0000050 GO:0005634 GO:0005737 GO:0005829 GO:0048471
11	0.06	0.217	6.87	0.06	0.34	2cb1A	GO:0003824 GO:0016829 GO:0030170
12	0.06	0.230	7.60	0.03	0.39	1sezA	GO:0004729 GO:0005739 GO:0006779 GO:0006782 GO:0006783 GO:0016491 GO:0055114
13	0.06	0.192	6.55	0.05	0.29	2ip2A	GO:0008168 GO:0008171 GO:0008757 GO:0016740 GO:0019438 GO:0032259
14	0.06	0.192	6.93	0.03	0.31	4dppA	GO:0003824 GO:0008152 GO:0008652 GO:0008840 GO:0009085 GO:0009089 GO:0009507 GO:0009536 GO:0016829 GO:0019877
15	0.06	0.217	6.69	0.03	0.34	5chsB	GO:0000166 GO:0001172 GO:0003824 GO:0003968 GO:0004482 GO:0005524 GO:0006139 GO:0006370 GO:0006397 GO:0008152 GO:0008168 GO:0016740 GO:0016779 GO:0019012 GO:0030430 GO:0032259 GO:0036265 GO:0039689
16	0.06	0.201	7.19	0.04	0.33	4hnnF	GO:0003824 GO:0008152 GO:0008840 GO:0009089 GO:0016829
17	0.06	0.174	6.62	0.05	0.27	4q16D	GO:0000166 GO:0003952 GO:0005524 GO:0005737 GO:0008795 GO:0009435 GO:0016874
18	0.06	0.203	7.30	0.06	0.34	1qzzA	GO:0008168 GO:0008171 GO:0016829 GO:0016831 GO:0017000 GO:0032259

Consensus prediction of GO terms

Molecular Function	GO:0005198	GO:0050661	GO:0050451	GO:0050660	GO:0003756
GO-Score	0.28	0.06	0.06	0.06	0.06
Biological Processes	GO:0030031	GO:0044781	GO:0070925
GO-Score	0.55	0.55	0.55
Cellular Component	GO:0044461
GO-Score	0.55

(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.