I-TASSER results

I-TASSER results for job id Rv0256c

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

Input Sequence in FASTA format

>protein (556 residues)
MTAPIWMASPPEVHSALLSSGPGPGPLLVSAEGWHSLSIAYAETADELAALLAAVQAGTW
DGPTAAVYVAAHTPYLAWLVQASANSAAMATRQETAATAYGTALAAMPTLAELGANHALH
GVLMATNFFGINTIPIALNESDYARMWIQAATTMASYQAVSTAAVAAAPQTTPAPQIVKA
NAPTAASDEPNQVQEWLQWLQKIGYTDFYNNVIQPFINWLTNLPFLQAMFSGFDPWLPSL
GNPLTFLSPANIAFALGYPMDIGSYVAFLSQTFAFIGADLAAAFASGNPATIAFTLMFTT
VEAIGTIITDTIALVKTLLEQTLALLPAALPLLAAPLAPLTLAPASAAGGFAGLSGLAGL
VGIPPSAPPVIPPVAAIAPSIPTPTPTPAPAPAPTAVTAPTPPPGPPPPPVTAPPPVTGA
GIQSFGYLVGDLNSAAQARKAVGTGVRKKTPEPDSAEAPAAAAAPEEQVQPQRRRRPKIK
QLGRGYEYLDLDPETGHDPTGSPQGAGTLGFAGTTHKASPGQVAGLITLPNDAFGGSPRT
PMMPGTWDTDSATRVE

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MTAPIWMASPPEVHSALLSSGPGPGPLLVSAEGWHSLSIAYAETADELAALLAAVQAGTWDGPTAAVYVAAHTPYLAWLVQASANSAAMATRQETAATAYGTALAAMPTLAELGANHALHGVLMATNFFGINTIPIALNESDYARMWIQAATTMASYQAVSTAAVAAAPQTTPAPQIVKANAPTAASDEPNQVQEWLQWLQKIGYTDFYNNVIQPFINWLTNLPFLQAMFSGFDPWLPSLGNPLTFLSPANIAFALGYPMDIGSYVAFLSQTFAFIGADLAAAFASGNPATIAFTLMFTTVEAIGTIITDTIALVKTLLEQTLALLPAALPLLAAPLAPLTLAPASAAGGFAGLSGLAGLVGIPPSAPPVIPPVAAIAPSIPTPTPTPAPAPAPTAVTAPTPPPGPPPPPVTAPPPVTGAGIQSFGYLVGDLNSAAQARKAVGTGVRKKTPEPDSAEAPAAAAAPEEQVQPQRRRRPKIKQLGRGYEYLDLDPETGHDPTGSPQGAGTLGFAGTTHKASPGQVAGLITLPNDAFGGSPRTPMMPGTWDTDSATRVE
Prediction	CCCCCCCCCCCHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	9986655688556666546799968899999999999999999999999999987667778879999999999999999999999999999999999999999997898999999999999999977666568999999999999999999999999999988876588899998778898876667766656666655556666555445555555556777666666677766666667776666776666677777664566665555455456666666677777656655566666666667776666666666677667777777777777777788888888888888888888888888888888888888888888999989988888888999999999999999988888888877788888888888778888888888888888777777776667777777777777788888778899988898888889888887777888888888765557888888888888888888999888889
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MTAPIWMASPPEVHSALLSSGPGPGPLLVSAEGWHSLSIAYAETADELAALLAAVQAGTWDGPTAAVYVAAHTPYLAWLVQASANSAAMATRQETAATAYGTALAAMPTLAELGANHALHGVLMATNFFGINTIPIALNESDYARMWIQAATTMASYQAVSTAAVAAAPQTTPAPQIVKANAPTAASDEPNQVQEWLQWLQKIGYTDFYNNVIQPFINWLTNLPFLQAMFSGFDPWLPSLGNPLTFLSPANIAFALGYPMDIGSYVAFLSQTFAFIGADLAAAFASGNPATIAFTLMFTTVEAIGTIITDTIALVKTLLEQTLALLPAALPLLAAPLAPLTLAPASAAGGFAGLSGLAGLVGIPPSAPPVIPPVAAIAPSIPTPTPTPAPAPAPTAVTAPTPPPGPPPPPVTAPPPVTGAGIQSFGYLVGDLNSAAQARKAVGTGVRKKTPEPDSAEAPAAAAAPEEQVQPQRRRRPKIKQLGRGYEYLDLDPETGHDPTGSPQGAGTLGFAGTTHKASPGQVAGLITLPNDAFGGSPRTPMMPGTWDTDSATRVE
Prediction	5010100000000000101000000001000100220030022004002100000102212010000002001200300120021033203102000000010110113112013034000100000000000000030133033011100000100121021013213324221411544443343333432232232123222232212113312320222221221122122221221111212222111111121122111111111011212321122122221111121111211111111111111101111001111110110111111111111211211111111111111111112222111111121211112111111122122321111111112112111111233343231212323234423333444454544545444454344345453444444445255362522102144544333413533121200011134543330000020334524320220000100245566568
	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                 540

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

Sec.Str
Seq

CCCCCCCCCCCHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MTAPIWMASPPEVHSALLSSGPGPGPLLVSAEGWHSLSIAYAETADELAALLAAVQAGTWDGPTAAVYVAAHTPYLAWLVQASANSAAMATRQETAATAYGTALAAMPTLAELGANHALHGVLMATNFFGINTIPIALNESDYARMWIQAATTMASYQAVSTAAVAAAPQTTPAPQIVKANAPTAASDEPNQVQEWLQWLQKIGYTDFYNNVIQPFINWLTNLPFLQAMFSGFDPWLPSLGNPLTFLSPANIAFALGYPMDIGSYVAFLSQTFAFIGADLAAAFASGNPATIAFTLMFTTVEAIGTIITDTIALVKTLLEQTLALLPAALPLLAAPLAPLTLAPASAAGGFAGLSGLAGLVGIPPSAPPVIPPVAAIAPSIPTPTPTPAPAPAPTAVTAPTPPPGPPPPPVTAPPPVTGAGIQSFGYLVGDLNSAAQARKAVGTGVRKKTPEPDSAEAPAAAAAPEEQVQPQRRRRPKIKQLGRGYEYLDLDPETGHDPTGSPQGAGTLGFAGTTHKASPGQVAGLITLPNDAFGGSPRTPMMPGTWDTDSATRVE

2g38B

0.26

0.08

0.31

1.28

MUSTER

----AFEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4ut1A

0.10

0.09

0.91

1.05

MUSTER

--------------SNQL------NAAQTQGSSLSTYYTLVAQLNNYVGSPTAGIA------TAITNYFTGLQTVAN---ADPSARQTAMSNAQTLASQLVAAGQQY-SQLRQSVNSQLTDTVTQIN---SYTSQIAQLNEQIASAS--PNQLLDQRDLAVSKLSQLAGV-----QVVQSNGNYSVFLSGGQPLVVGNASYQLATVASPSDPSELTIVSKGVAGSAQPGPTQYLPDVSLTGGALGGLLAFRSQTLDPAQAQLGALAVSFASQVNAQNALGVDMSGNPGGSLFAVGAPAVYANQNNTGSATLSVSFVDGTQPTTSDYALSYDGAKYTLTDRATGSVVGTATPSSTPPTMTIGGLKLSLSSTPNAGDSFTVLPTRG----ALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGYQLPSGTTTLAYNAASKTLSGFPVGTTVTIAGTPPTSINITSATTPVPYDPSKGASMTISSTTQPAPSGV------MNGVSVSLSGTPADGDQFTIGANKGTNDGRNALALSSKTMNNGTTTLTG

2g38B

0.26

0.08

0.31

1.51

dPPAS

----AFEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

5gaoE

0.18

0.11

0.61

1.29

dPPAS

--------------------------------------------------------------------------------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA-------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK-----------------------------------------------------------------------------

2g38B

0.26

0.08

0.31

3.10

wdPPAS

----AFEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4ut1A

0.11

0.10

0.92

1.10

wMUSTER

--------------SNQL------NAAQTQGSSLSTYYTLVAQLNNYVAGIATAITN--F--TGLQTVAN---A-PSARQTAMSNAQTLASQLVAAGQQYSQLRQSV--NSQLTDTVTQINSYTSQ--IAQLNEQIASASNQLLDQRDLAVSKLSQL-----AGVQVVQSNGNYSVFLSGGQP-VGNASYQLATVASPSDPSELTIVSKGVAGSAQPGPTQYLPDVSLTGGALGGLLAFRSQTLDPAQAQLGALAVSFASQVNAQNALGVDMSGNPGGSLFAVGAPAVYANQNNTGSATLSVSFVDGTQPTTSDYASYDGAKYTLTDRATGSVVGTATPSSTPPTMTIGGLKLSLSSTPNAGDSFTVLPTRGALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGYQLPSGTTTLAYNAASKTLSGFPVGTTVTIAGTPPTSINITSATTPVPYDPSKGASMTISSTTQPAPSGVMNGVSVSLSGTPADGDQ------FTIGANKGTNDGRNALALSQLVNSKTNNGTTT-YV-GNAASQLKASSA

2g38B

0.26

0.08

0.31

1.83

wMUSTER

-----FEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

5gaoE

0.18

0.11

0.61

2.47

dPPAS2

--------------------------------------------------------------------------------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA-------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK-----------------------------------------------------------------------------

2g38B

0.26

0.08

0.31

4.24

wPPAS

----AFEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

1ciyA

0.10

0.09

0.95

1.11

Env-PPAS

YTPIDISL---SLTQFLLSFVPGAGFVLGLVDIIPSQWDAFLVQIEQLEFARNQAISRLE--GLSNLYQIYAESFREWEATNPALREEMRIQFNDMNSALTTAIPLLAVQVPLLSVYVQAANLHLSVLRDVFGQRWGFDAATINSRYNDLTRLIGNYTDYAVRWYN-------------------------TGLERVWGPDSRDWVRYNQFRRELTLTVLDIVALFSNYDSRRYPIRTVSQLTREIYTNPVLENFDGSFRGMAQRIEQNIRQPHLMDILNSITIYTDVHRGFNSGHQITASPVGFSGPEFAFPLFGNAGNAAPPVLVSLTGLGIFRTLSSPLYRRIILGSGPNNQELFVLDGTEFSFASLTTNLPSTIYRQRGTVDSLDVIPPQDNSVPPRAGFSHRLSHVTMLSQAAGAVYTLRAPTFSWQHRSAEFNNIIPSSQITQIPLTKSTNLGSGTSVVKGPGFTGGDILRRTSPGQISTLRVNITAPLSQRYASTTNLQFHTSIDGRPINQGSATMSSGSNLQSGSFRTTPNFSNGSSVSAHVFNSGNE

(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=-2.90

Estimated TM-score = 0.38±0.13

Estimated RMSD = 14.8±3.6Å

Download Model 2

C-score=-3.10

Download Model 3

C-score=-3.49

Download Model 4

C-score=-2.81

Download Model 5

C-score=-3.28

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	0.729	3.69	0.089	0.813
2	2d4yA	0.499	4.28	0.051	0.590
3	5d06A	0.371	7.93	0.044	0.626
4	4r04A	0.345	7.77	0.035	0.572
5	4c2mB	0.345	7.75	0.015	0.567
6	1wygA	0.342	7.59	0.037	0.554
7	2obeA	0.340	7.96	0.037	0.576
8	3jb9A	0.340	7.79	0.028	0.559
9	3gtgB	0.336	7.63	0.048	0.547
10	3zifA	0.335	8.05	0.029	0.570

(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	1jb0A	CLA	Rep, Mult	30,33,34,37
2	0.06	3	1wygA	FES	Rep, Mult	158,159,160,162,166,177,178,179
3	0.06	3	4ku8A	GLY	Rep, Mult	27,31
4	0.04	2	3l26B	MG	Rep, Mult	18,22,23
5	0.02	1	4ilbA	UNL	Rep, Mult	97,100
6	0.02	1	4xgcC	III	Rep, Mult	81,82
7	0.02	1	3pyoN	MG	Rep, Mult	86,90
8	0.02	1	2p8wS	GNP	Rep, Mult	100,131,133
9	0.02	1	4rt4D	III	Rep, Mult	148,149
10	0.02	1	3k3wA	CA	Rep, Mult	132,140
11	0.02	1	2g38B	MN	Rep, Mult	152,155,156
12	0.02	1	3sl9A	IMD	Rep, Mult	44,86
13	0.02	1	3iilA	MG	Rep, Mult	11,12
14	0.02	1	3r6wA	NFZ	Rep, Mult	80,100,128
15	0.02	1	1fiqA	FES	Rep, Mult	34,35,37,91,92,95
16	0.02	1	3eubS	FES	Rep, Mult	123,124,127,128,129,130,132
17	0.02	1	1fiqA	FAD	Rep, Mult	47,48,49,73

	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	3eqlM	0.317	7.98	0.037	0.534	2.7.7.6	103
2	0.060	3b8eA	0.303	8.49	0.033	0.540	3.6.3.9	NA
3	0.060	3btaA	0.318	7.71	0.040	0.522	3.4.24.69	NA
4	0.060	2hg4C	0.319	7.97	0.041	0.541	2.3.1.94	5,104,106
5	0.060	3cmmC	0.333	8.36	0.066	0.585	6.3.2.19	31
6	0.060	3ffzA	0.317	7.66	0.057	0.522	3.4.24.69	92
7	0.060	3dy5A	0.301	7.34	0.070	0.473	1.13.11.40,4.2.1.92	NA
8	0.060	3fg3A	0.257	6.91	0.050	0.387	4.2.1.92,1.13.11.40	NA
9	0.060	3h0gA	0.300	7.75	0.030	0.495	2.7.7.6	48
10	0.060	2j5wA	0.311	7.80	0.036	0.513	1.16.3.1	NA
11	0.060	3b9jI	0.120	5.50	0.015	0.158	1.17.1.4,1.17.3.2	105,241
12	0.060	1y2mB	0.317	6.82	0.030	0.471	4.3.1.24	NA
13	0.060	2vuaA	0.207	7.05	0.023	0.320	3.4.24.69	NA
14	0.060	2np0A	0.310	8.17	0.038	0.532	3.4.24.69	NA
15	0.060	1mo7A	0.147	6.24	0.039	0.212	3.6.3.9	9
16	0.060	2vz9B	0.329	7.50	0.054	0.527	2.3.1.85	534
17	0.060	3l9oA	0.304	8.42	0.051	0.541	3.6.4.13	117,241
18	0.060	3b8eC	0.329	6.97	0.054	0.500	3.6.3.9	45,82
19	0.060	3gtgB	0.336	7.63	0.048	0.547	2.7.7.6	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	0.13	0.729	3.69	0.09	0.81	4ut1A	GO:0005198 GO:0009424 GO:0044780
1	0.07	0.499	4.28	0.05	0.59	2d4yA	GO:0005198 GO:0005576 GO:0009288 GO:0009424 GO:0044780 GO:0071973
2	0.06	0.241	7.25	0.03	0.38	3dhuA	GO:0003824 GO:0004556 GO:0005975 GO:0008152 GO:0016787 GO:0016798
3	0.06	0.262	6.29	0.04	0.37	4k1pB	GO:0009405 GO:0016020
4	0.06	0.262	7.30	0.07	0.42	3ueqA	GO:0003824 GO:0005576 GO:0005975 GO:0016740 GO:0016757 GO:0047669
5	0.06	0.253	7.81	0.03	0.42	1rqgA	GO:0000049 GO:0000166 GO:0003723 GO:0004812 GO:0004825 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006431 GO:0016874 GO:0046872
6	0.06	0.244	6.98	0.03	0.37	4gklA	GO:0003824 GO:0005975
7	0.06	0.266	7.44	0.04	0.42	4aieA	GO:0003824 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0043896 GO:0046872
8	0.06	0.242	7.26	0.05	0.38	3peiA	GO:0004177 GO:0005622 GO:0005737 GO:0006508 GO:0008233 GO:0008235 GO:0016787 GO:0019538 GO:0030145 GO:0046872
9	0.06	0.255	7.15	0.07	0.40	4n0rA	GO:0005975
10	0.06	0.213	7.55	0.06	0.34	2qa1A	GO:0000166 GO:0016491 GO:0055114 GO:0071949
11	0.06	0.229	6.87	0.03	0.35	2aekA	GO:0016106 GO:0016829 GO:0045482
12	0.06	0.211	7.26	0.06	0.33	4icyA	GO:0000166 GO:0016491 GO:0055114 GO:0071949
13	0.06	0.238	7.48	0.05	0.38	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	0.216	7.23	0.03	0.34	3l7jB	GO:0016020 GO:0047355
15	0.06	0.201	7.34	0.05	0.32	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
16	0.06	0.201	6.54	0.06	0.30	3eihA	GO:0000166 GO:0005524 GO:0005634 GO:0005768 GO:0006810 GO:0007033 GO:0008568 GO:0010008 GO:0015031 GO:0016020 GO:0016125 GO:0016236 GO:0016887 GO:0031122 GO:0032511 GO:0042802 GO:0042803 GO:0045053 GO:0045324 GO:0051260 GO:0070676 GO:1990621
17	0.06	0.192	7.95	0.04	0.33	4uorA	GO:0003824 GO:0008152 GO:0008484 GO:0016020 GO:0016021 GO:0046872
18	0.06	0.220	6.67	0.02	0.33	1gdhA	GO:0008152 GO:0008465 GO:0016491 GO:0016616 GO:0051287 GO:0055114

Consensus prediction of GO terms

Molecular Function	GO:0005198	GO:0004556	GO:0047669
GO-Score	0.18	0.06	0.06
Biological Processes	GO:0030031	GO:0044781	GO:0070925
GO-Score	0.37	0.37	0.37
Cellular Component	GO:0044461
GO-Score	0.37

(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.