I-TASSER results

I-TASSER results for job id Rv3812

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

Input Sequence in FASTA format

>protein (504 residues)
MSFVVTVPEAVAAAAGDLAAIGSTLREATAAAAGPTTGLAAAAADDVSIAVSQLFGRYGQ
EFQTVSNQLAAFHTEFVRTLNRGAAAYLNTESANGGQLFGQIEAGQRAVSAAAAAAPGGA
YGQLVANTATNLESLYGAWSANPFPFLRQIIANQQVYWQQIAAALANAVQNFPALVANLP
AAIDAAVQQFLAFNAAYYIQQIISSQIGFAQLFATTVGQGVTSVIAGWPNLAAELQLAFQ
QLLVGDYNAAVANLGKAMTNLLVTGFDTSDVTIGTMGTTISVTAKPKLLGPLGDLFTIMT
IPAQEAQYFTNLMPPSILRDMSQNFTNVLTTLSNPNIQAVASFDIATTAGTLSTFFGVPL
VLTYATLGAPFASLNAIATSAETIEQALLAGNYLGAVGALIDAPAHALDGFLNSATVLDT
PILVPTGLPSPLPPTVGITLHLPFDGILVPPHPVTATISFPGAPVPIPGFPTTVTVFGTP
FMGMAPLLINYIPQQLALAIKPAA

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSFVVTVPEAVAAAAGDLAAIGSTLREATAAAAGPTTGLAAAAADDVSIAVSQLFGRYGQEFQTVSNQLAAFHTEFVRTLNRGAAAYLNTESANGGQLFGQIEAGQRAVSAAAAAAPGGAYGQLVANTATNLESLYGAWSANPFPFLRQIIANQQVYWQQIAAALANAVQNFPALVANLPAAIDAAVQQFLAFNAAYYIQQIISSQIGFAQLFATTVGQGVTSVIAGWPNLAAELQLAFQQLLVGDYNAAVANLGKAMTNLLVTGFDTSDVTIGTMGTTISVTAKPKLLGPLGDLFTIMTIPAQEAQYFTNLMPPSILRDMSQNFTNVLTTLSNPNIQAVASFDIATTAGTLSTFFGVPLVLTYATLGAPFASLNAIATSAETIEQALLAGNYLGAVGALIDAPAHALDGFLNSATVLDTPILVPTGLPSPLPPTVGITLHLPFDGILVPPHPVTATISFPGAPVPIPGFPTTVTVFGTPFMGMAPLLINYIPQQLALAIKPAA
Prediction	CCEEHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHCCCCCCCCHHHHHHHHHHHHHHHHCCCCC
Conf.Score	976774579999999999999999999987666665444566676578999999999999999999999999999999999878888999888888888877656555567777788888888888888887666678888988765444567777767666667777777777777888766665545567877644455556677765555556665444456788888888887766656688888778754456776566666777788888888777677667787787766544565444565544578876666766667667788888887766667777778877777776554444577646776646788765567888887776544457887654444578655566666778888888888765456887765578888655557888888888888754558887887568899998899887656789
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSFVVTVPEAVAAAAGDLAAIGSTLREATAAAAGPTTGLAAAAADDVSIAVSQLFGRYGQEFQTVSNQLAAFHTEFVRTLNRGAAAYLNTESANGGQLFGQIEAGQRAVSAAAAAAPGGAYGQLVANTATNLESLYGAWSANPFPFLRQIIANQQVYWQQIAAALANAVQNFPALVANLPAAIDAAVQQFLAFNAAYYIQQIISSQIGFAQLFATTVGQGVTSVIAGWPNLAAELQLAFQQLLVGDYNAAVANLGKAMTNLLVTGFDTSDVTIGTMGTTISVTAKPKLLGPLGDLFTIMTIPAQEAQYFTNLMPPSILRDMSQNFTNVLTTLSNPNIQAVASFDIATTAGTLSTFFGVPLVLTYATLGAPFASLNAIATSAETIEQALLAGNYLGAVGALIDAPAHALDGFLNSATVLDTPILVPTGLPSPLPPTVGITLHLPFDGILVPPHPVTATISFPGAPVPIPGFPTTVTVFGTPFMGMAPLLINYIPQQLALAIKPAA
Prediction	411000101201000420340220031011000000010130211100000030012004201100210020021002001300200000001023303421422322131231213113212111232221000121232201100211121221223211221132222222221323230131133223232120132222231221222232233122323231211133223312100113111112100310120102113033134433333232314043243123112011110311320111022323440244232213312434232222222334323242221113121011112211002212343201110042112210010003111200100022432141313034424243342230211020100012232110103233323312412320304224100001000110152005204568
	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

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

Sec.Str
Seq

CCEEHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHCCCCCCCCHHHHHHHHHHHHHHHHCCCCC
MSFVVTVPEAVAAAAGDLAAIGSTLREATAAAAGPTTGLAAAAADDVSIAVSQLFGRYGQEFQTVSNQLAAFHTEFVRTLNRGAAAYLNTESANGGQLFGQIEAGQRAVSAAAAAAPGGAYGQLVANTATNLESLYGAWSANPFPFLRQIIANQQVYWQQIAAALANAVQNFPALVANLPAAIDAAVQQFLAFNAAYYIQQIISSQIGFAQLFATTVGQGVTSVIAGWPNLAAELQLAFQQLLVGDYNAAVANLGKAMTNLLVTGFDTSDVTIGTMGTTISVTAKPKLLGPLGDLFTIMTIPAQEAQYFTNLMPPSILRDMSQNFTNVLTTLSNPNIQAVASFDIATTAGTLSTFFGVPLVLTYATLGAPFASLNAIATSAETIEQALLAGNYLGAVGALIDAPAHALDGFLNSATVLDTPILVPTGLPSPLPPTVGITLHLPFDGILVPPHPVTATISFPGAPVPIPGFPTTVTVFGTPFMGMAPLLINYIPQQLALAIKPAA

4ut1A

0.12

1.00

1.09

MUSTER

GSSLSTYYTLVAQLNNYVAGIATAITNYFTGLQTVANNAADPSA-SNAQTLASQLVAAGQQYSQLRQSVNSQLTDTVTQINSYTSQIAQLNEQIASASNQLLDQAVSKLSQLAGVQVVQSNGNYSVFLSGGQPLVVGNASYQLATVASPSDPSELTIVSKGVAGSAQPGPTQYLPDVSLTGGALGGLLAFRSQTLDPAQAQLGALAVSFASQVNAQNALGVDMSGNPGGSLFAVGAPAVYANQNNTGSATLSVSFVDGTQPTTSDYALSYDGAKYTLTDRATGSVVGTATPSSTPPTMTILKLSLSSTPNAGDSFTVLPTRGALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGYQLPSGTTTLAYNAASKTLSGFPVGTTVTIAGTPPTSINITSATTPVPYDPSKGASMTISST-TQPAPSGVMNGVSVSLSGTPADGDQFTIGANKGTNDGRNALASKTMNNGTTTLTGAYAGYVNAIGNAASQLKASSA

4ut1A

0.11

0.98

1.10

wMUSTER

GSSLSTYYTLVAQLNNYVAGIATAITNYFTGLQTVANN--PSARQTAMSNAQTLASQLVAAGQQYSQLRQSVNSQLTDTVTQINSYTSQIAQLNEQIASASPNQLLSQLAGVQVVQSNGNYSVFLSGGGNASYQLATVASPSDPSELTIVSKGVAGSAQPGPTQYLPDVSLTGGALGGLLAFRSQTLDPAQAQ--GALAVSFASQALGVDMSGNPGGSLFAVGAPAVYANQNNTGSATLSVSFVDGTQPTTSDYALSYDGAKYTLTDRATGSVVGTATPSSTPPTMTIGGLKLSLSSTPNAGDSFTVLPTRGALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGYQLPSGTTTLAYNAASKTLSGFPVG-TTVTIAGTPPTSINITSATTPVPYDPSKGASMTISSTTQPAPSGVMNGVSVSLSGTPADGDQFTIGANKGTNDGRNALA------LSQLVNSKTMGTTTLTGAYAGYVNAIGNAASQLKASSA

5gaoE

0.16

0.10

0.63

1.18

dPPAS

--------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK--------------------------------------------------------------------------------------------------------------------------

5gaoE

0.18

0.12

0.67

2.14

PPAS

---------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA----------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK----------------------------------------------------------------------------

5gaoE

0.16

0.10

0.63

2.35

dPPAS2

---------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK--------------------------------------------------------------------------------------------------------------------------

5fmwA

0.07

0.06

0.89

1.02

MUSTER

---------------------------------SHIDCRMSPWSEWSQ------DPCLRQMFR-------------SRSIEVFGQFNGKRCTDAVGDRRQCVPTEPCECGNDFQCSTGRCIKMRLRCNGDNDCGDFSDEDDCESPRPPCRDRVVEESELARTAGYGINILGMDPLSTPFDNEFYNGLCNRDRDGNTLTYYRRPWNVASLIYETKGEKNFRTEHYEEQIEAFKSIIQEKTSNFNAASLKFTPGKGSFRFSYSKNETYQLFLSYSSKKEKMFLHVKGEIHLGRFVMRNRDVVLTTTFVDDIKALPTTYEKGEYFAFLETYGTHYSSSGSLGGLYELIYVLDKASMKRKGVELKDIKRCLGYHLDVSLAFSEISVGAEFNKDDCVKRGEGRAVNITSENLIDDVVSLIRGGTRKYAFELKEKLLRGTVIDVTDFVN-----ASSINDAPVLISQKLSPIYNLVPVKMKNAHLKKQNLERAIEDYINEFSVRKCHTCQ

1maeH

0.09

0.07

0.74

1.15

dPPAS

---------------------------------------------------------------------------------------------------SSASAAAAAAAAALAAGAADGPTNDEAPGADGRRSYINLPAHHSAIIQQWVLDAGSGSILGHVNGGFLPNPVAAHSGSEFALASTSFSRIAKGKRTDYVEVFDPVTFLPIADIELPDAPRFDVGPYSWMNANTPNNADLLFFQFAAGPAVGLVVQGGSSDDQLLSSPTCYHIHPGAPSTFYLLCAGLAKTDHAGGAAGAGLVGAMLTAAQNLLTQPAQANKSGRIVWPVYSGKILQADISAAGATNKAPIDALSGGRKADTWRPGGWQQVAYLKSSDGIYLLTSEQSAWKLHAAAKEVTSVTGLVGQTSSQISLGHDVDAISVAQDGGPDLYALSAGTEVLHIYDAGAGDQDQSTVELGSGPQVLSVMNEA----------------------------------

3l6wA

0.08

0.91

1.00

wMUSTER

---ILVRKNIHSLSHHEAEEL---RDALYKLQNDESHGGY----EH----IAGF---HGYPCCV-MSIFPHWHRLHTIQ-------F---ERA----LKKHGSHLGIPYDWTQTISSLPTFFADSGNNNPFFKYHIRSINQDTVRDVNEAIFFSSIFYLALQALEEDNYCDFEVQYEILHNEVHALIGGAEKYSMSTLEYSAFDPYFMIHHASLDKIWIIWQELQKRRVKSCAGDIMHVPLHPF-NYESVNNDDFTRENSLPNAVVDSHRFNYKYDNLNLHGHNIEELEEVLRSLRLKSRVFAGFVLSGIRTTAVVKVYIKSGTDSDDEYAGSFVILGGAKEMPWA-----YERLYRFDITETVHNLNLTDDHVK-FRFDLKKYDHTELDASVL-PAPIIVRRPNNAVFDIIEIPIGKDVNLP-PKVVVKRGTKIMFMSVDEAVTTPMLNLGSYTAMFKCKVPPFSFHAFELGKMYSVESMTASTTELCN--DNNLRIHVHVD-

5gaoE

0.21

0.13

0.63

1.05

wPPAS

------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA----------AAAAAAAA---------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA--AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTK-------------------------------------------------------------------------------------------------------------------------------------------------------------

4ut1A

0.11

0.98

1.56

PPAS

GSSLSTYYTLVAQLNNYVAGIATAITNYFTGLQTVANN--PSARQTAMSNAQTLASQLVAAGQQYSQLRQSVNSQLTDTVTQINSYTSQIAQLNEQIASASSPNAVSKLSQLAGVQVVQSNGNYSVFLSGGQPLVVGNASYQLATVASPSDPSELTIVSKGVAGSAQPGPTQYLPDVSLTGGALGGLLAFRSQTLDPAQAQ-AQNALGVDMSGNPGGSLFAVGAPAVYANQNNTGSATLSVSFVDGTQPTTSDYALSYDGAKYTLTDRATGSVVGTATPSSTPPTMTIGGLKLSLSSTPNAGDSFTVLPTRGALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGYQLPSGTTTLAYNAAS------KTLSGFPVGTTVTIAGTPPTSINITSATTPVPYDPSKGASMTISSTTQPAPSGVMNGVSVSLSGTPADGDQFTIGANKGTNDGRNALALSQLVNSKTMNNGTTLTGAYAGYVNAIGNAASQLKASSA

(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 1 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=0.63

Estimated TM-score = 0.80±0.09

Estimated RMSD = 6.0±3.7Å

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	0.980	1.20	0.109	0.998
2	2d4yA	0.717	1.87	0.092	0.750
3	3ixzA	0.370	6.92	0.073	0.573
4	3kdpA	0.365	7.05	0.057	0.573
5	5d06A	0.361	7.43	0.039	0.589
6	5dotA	0.360	7.18	0.029	0.575
7	3g61A	0.356	6.93	0.042	0.544
8	3saeA	0.350	7.82	0.053	0.601
9	3va7A	0.348	7.69	0.050	0.593
10	2y8nA	0.345	7.78	0.033	0.583

(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	0.10	5	1v97A	CA	Rep, Mult	31,44,45,46,48
2	0.08	4	1y66A	DIO	Rep, Mult	51,55
3	0.06	3	3vh7E	MG	Rep, Mult	71,74
4	0.04	2	3q0gD	BCO	Rep, Mult	55,72
5	0.04	2	1qhjA	PH1	Rep, Mult	62,63,66,69,70,74,77,191,196
6	0.02	1	3ic3D	BGC	Rep, Mult	78,82
7	0.02	1	5lsjD	III	Rep, Mult	46,50,51
8	0.02	1	3p5rB	MG	Rep, Mult	83,86,90
9	0.02	1	4ifvA	FMQ	Rep, Mult	74,77
10	0.02	1	1sqpE	PLX	Rep, Mult	76,79
11	0.02	1	3rj1R	SE	Rep, Mult	24,37
12	0.02	1	1w6uA	UUU	Rep, Mult	76,91
13	0.02	1	3atsA	CA	Rep, Mult	59,61
14	0.02	1	3mgnE	DGL	Rep, Mult	94,98
15	0.02	1	3eubS	FES	Rep, Mult	34,35,38,40,41,43

	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	2vuaA	0.220	7.55	0.032	0.363	3.4.24.69	487,490
2	0.060	3ff6A	0.320	6.75	0.045	0.482	6.4.1.2,6.3.4.14	183
3	0.060	3b8cB	0.334	7.38	0.058	0.540	3.6.3.6	64,202
4	0.060	3b9jC	0.247	7.57	0.043	0.409	1.17.3.2,1.17.1.4	NA
5	0.060	1ofdA	0.300	7.94	0.035	0.524	1.4.7.1	NA
6	0.060	2np0A	0.314	8.09	0.049	0.559	3.4.24.69	157
7	0.060	3btaA	0.311	5.93	0.033	0.439	3.4.24.69	NA
8	0.060	3b9jJ	0.206	6.45	0.040	0.307	1.17.1.4,1.17.3.2	77,113,115
9	0.060	1mo7A	0.139	6.14	0.056	0.204	3.6.3.9	1,111
10	0.060	1w27A	0.329	7.49	0.034	0.548	4.3.1.24	NA
11	0.060	2vkzG	0.309	7.57	0.034	0.504	2.3.1.38,3.1.2.14	NA
12	0.060	2e1rA	0.306	7.67	0.041	0.516	3.6.5.3	NA
13	0.060	3b8eA	0.368	7.11	0.065	0.579	3.6.3.9	NA
14	0.060	3ixzA	0.370	6.92	0.073	0.573	3.6.3.10	270
15	0.060	3gpbA	0.307	7.18	0.048	0.496	2.4.1.1	NA
16	0.060	2qf7B	0.286	7.95	0.035	0.498	6.4.1.1	NA
17	0.060	2uv8G	0.296	7.58	0.025	0.494	2.3.1.86	NA
18	0.060	1od2A	0.316	6.82	0.034	0.480	6.3.4.14,6.4.1.2	59
19	0.060	2qf7A	0.310	7.40	0.044	0.508	6.4.1.1	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	0.37	0.980	1.20	0.11	1.00	4ut1A	GO:0005198 GO:0009424 GO:0044780
1	0.22	0.717	1.87	0.09	0.75	2d4yA	GO:0005198 GO:0005576 GO:0009288 GO:0009424 GO:0044780 GO:0071973
2	0.06	0.370	6.92	0.07	0.57	3ixzA	GO:0000166 GO:0000287 GO:0005391 GO:0005524 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0006883 GO:0008900 GO:0010107 GO:0010248 GO:0015991 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0030007 GO:0036376 GO:0043231 GO:0046872
3	0.06	0.368	7.11	0.07	0.58	3b8eA	GO:0000166 GO:0002028 GO:0005391 GO:0005524 GO:0005886 GO:0005890 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0006883 GO:0010107 GO:0010248 GO:0015991 GO:0016020 GO:0016021 GO:0016787 GO:0030007 GO:0030955 GO:0031402 GO:0036376 GO:0042383 GO:0043231 GO:0046872 GO:0051117 GO:0086009 GO:0090662 GO:1990573
4	0.06	0.353	7.10	0.07	0.55	3a3yA	GO:0000166 GO:0005391 GO:0005524 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0010248 GO:0016020 GO:0016021 GO:0016787 GO:0046872 GO:0090662
5	0.06	0.289	7.79	0.04	0.49	1mhsA	GO:0000166 GO:0005524 GO:0005886 GO:0005887 GO:0006754 GO:0006810 GO:0006811 GO:0008553 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0043231 GO:0046872 GO:0051453 GO:1902600
6	0.06	0.340	7.51	0.05	0.56	3b8cA	GO:0000166 GO:0000287 GO:0005524 GO:0005886 GO:0005887 GO:0006754 GO:0006810 GO:0006811 GO:0008553 GO:0015991 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0046872 GO:0051453
7	0.06	0.341	7.33	0.06	0.56	3w5bA	GO:0000166 GO:0005388 GO:0005509 GO:0005524 GO:0005783 GO:0005789 GO:0005793 GO:0006810 GO:0006811 GO:0006816 GO:0006942 GO:0016020 GO:0016021 GO:0016529 GO:0016787 GO:0031448 GO:0031673 GO:0031674 GO:0033017 GO:0045988 GO:0046872 GO:0048471 GO:0070588
8	0.06	0.279	7.48	0.04	0.46	3j09A	GO:0000166 GO:0005507 GO:0005524 GO:0005886 GO:0006810 GO:0006811 GO:0006812 GO:0006825 GO:0016020 GO:0016021 GO:0016787 GO:0019829 GO:0030001 GO:0046872 GO:0098655
9	0.06	0.271	7.52	0.06	0.44	4bbjA	GO:0000166 GO:0005886 GO:0006812 GO:0016020 GO:0016021 GO:0016787 GO:0019829 GO:0046872 GO:0098655
10	0.06	0.250	7.83	0.03	0.42	4umvA	GO:0000166 GO:0005886 GO:0006812 GO:0016020 GO:0016021 GO:0016787 GO:0019829 GO:0030001 GO:0046872 GO:0098655
11	0.06	0.255	7.45	0.02	0.41	4n0rA	GO:0005975
12	0.06	0.252	7.50	0.04	0.42	4c0qA	GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
13	0.06	0.239	7.70	0.03	0.40	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
14	0.06	0.223	7.43	0.04	0.37	3peiA	GO:0004177 GO:0005622 GO:0005737 GO:0006508 GO:0008233 GO:0008235 GO:0016787 GO:0019538 GO:0030145 GO:0046872
15	0.06	0.203	6.12	0.04	0.29	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
16	0.06	0.203	6.81	0.05	0.32	2aekA	GO:0016106 GO:0016829 GO:0045482
17	0.06	0.214	7.17	0.03	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
18	0.06	0.193	6.71	0.07	0.30	2ayxA	GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004871 GO:0005524 GO:0005622 GO:0005886 GO:0005887 GO:0006355 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014 GO:0044010 GO:0046777 GO:0071470

Consensus prediction of GO terms

Molecular Function	GO:0005198	GO:0015081	GO:0043169	GO:0035639	GO:0032559	GO:0032550	GO:0008556
GO-Score	0.51	0.36	0.36	0.36	0.36	0.36	0.36
Biological Processes	GO:0044780	GO:0097588	GO:0015672	GO:0030001	GO:0034220
GO-Score	0.51	0.44	0.36	0.36	0.36
Cellular Component	GO:0009424
GO-Score	0.51

(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.