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I-TASSER results for job id Rv0597c

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

 Input Sequence in FASTA format
 Predicted Secondary Structure
 Predicted Solvent Accessibility
 Predicted Normalized B-facotr
 Top 10 threading templates used by I-TASSER
 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.)
 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.)


 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
10.26 27 5e7pB ADP Rep, Mult 1,28,29,30,31,32,33,34,176,177
20.10 10 1r6bX MG Rep, Mult 32,33,105
30.10 10 3glfC BEF Rep, Mult 28,29,32,33,78,177
40.02 2 3glfH QNA Rep, Mult 362,363,364,365,368
50.01 1 3glfD UUU Rep, Mult 94,119,123
60.01 1 3shfA GBL Rep, Mult 216,217,252

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

RankCscoreECPDB
Hit
TM-scoreRMSDaIDENaCovEC NumberActive Site Residues
10.0602ph5A0.3696.590.0430.5842.5.1.4485
20.0601ii0B0.3766.710.0790.5863.6.3.1632
30.0601q8iA0.2867.340.0240.5042.7.7.7NA
40.0602e8yA0.3587.710.0590.6643.2.1.4177
50.0603glfG0.4494.840.1400.5792.7.7.7217
60.0601nsfA0.3743.800.1190.4503.6.4.632
70.0601moqA0.2876.630.0630.4572.6.1.16289
80.0602dewX0.3787.050.0650.6403.5.3.15NA
90.0601oyyA0.3836.370.0770.5913.6.4.1232,35,78
100.0602gv9B0.3657.140.0480.6202.7.7.7NA
110.0601llwA0.3897.380.0450.6761.4.7.1NA
120.0601ofdA0.3407.700.0440.6181.4.7.1NA
130.0602jkvA0.3656.820.0570.5891.1.1.44NA
140.0601jxaA0.3817.280.0590.6542.6.1.16NA
150.0601uaaA0.3785.870.0620.5503.6.4.12NA
160.0603k1dA0.3737.470.0360.6592.4.1.1883,106
170.0601in5A0.4584.750.1300.5913.6.4.12NA
180.0601wd8A0.3646.850.0590.6013.5.3.15282
190.0601w36B0.3936.090.0470.5863.1.11.532

(a)CscoreEC is the confidence score for the EC number prediction. CscoreEC 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)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa 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

Homologous GO templates in PDB 
RankCscoreGOTM-scoreRMSDaIDENaCovPDB HitAssociated GO Terms
00.190.5882.530.150.652qenA GO:0000166 GO:0005524
10.160.3794.590.060.473sfzA GO:0000166 GO:0001666 GO:0001843 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006915 GO:0006919 GO:0007275 GO:0007420 GO:0007568 GO:0007584 GO:0008635 GO:0008656 GO:0010659 GO:0030154 GO:0030900 GO:0031072 GO:0034349 GO:0042802 GO:0042981 GO:0043293 GO:0043531 GO:0051260 GO:0051402 GO:0070059 GO:0070062 GO:0071560 GO:0097190 GO:1902510 GO:2001235
20.070.6144.450.070.784v4lA GO:0002921 GO:0005524 GO:0006915 GO:0006919 GO:0007291 GO:0007423 GO:0008635 GO:0008656 GO:0010332 GO:0012501 GO:0021556 GO:0033353 GO:0034352 GO:0035006 GO:0035070 GO:0035071 GO:0042594 GO:0043065 GO:0043293 GO:0043531 GO:0046668 GO:0046672 GO:0048813 GO:0050700 GO:0051260 GO:0051291 GO:0070050 GO:0070328 GO:0097190 GO:0097199 GO:1901053
30.070.5845.020.090.793j2tA GO:0000166 GO:0001666 GO:0001843 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006915 GO:0006919 GO:0007275 GO:0007399 GO:0007420 GO:0007568 GO:0007584 GO:0008635 GO:0008656 GO:0010659 GO:0030154 GO:0030900 GO:0031072 GO:0034349 GO:0042802 GO:0042981 GO:0043065 GO:0043293 GO:0043531 GO:0051260 GO:0051402 GO:0070059 GO:0070062 GO:0071560 GO:0072432 GO:0097190 GO:0097193 GO:1902510 GO:2001235
40.070.5822.580.180.642fnaA GO:0000166 GO:0005524
50.070.5524.490.120.714m9sB GO:0000166 GO:0005524 GO:0005634 GO:0005739 GO:0005829 GO:0006915 GO:0008361 GO:0008635 GO:0008656 GO:0009792 GO:0010954 GO:0016020 GO:0016505 GO:0030155 GO:0042981 GO:0043065 GO:0043066 GO:0043281 GO:0043531 GO:0048471 GO:0048598 GO:0051432 GO:0051434 GO:0061133 GO:1902742 GO:2001056
60.060.3216.110.060.483eifA GO:0004252 GO:0005618 GO:0006508 GO:0008233 GO:0008236 GO:0016020 GO:0016787
70.060.3874.460.070.491z6tB GO:0000166 GO:0001666 GO:0001843 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006915 GO:0006919 GO:0007275 GO:0007399 GO:0007420 GO:0007568 GO:0007584 GO:0008635 GO:0008656 GO:0010659 GO:0030154 GO:0030900 GO:0031072 GO:0034349 GO:0042802 GO:0042981 GO:0043065 GO:0043293 GO:0043531 GO:0051260 GO:0051402 GO:0070059 GO:0070062 GO:0071560 GO:0072432 GO:0097190 GO:0097193 GO:1902510 GO:2001235
80.060.3266.710.050.522esdA GO:0008152 GO:0008886 GO:0016491 GO:0016620 GO:0047100 GO:0055114
90.060.2986.970.030.504nsxA GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031167 GO:0032040 GO:0034388 GO:0042254 GO:0042274
100.060.2936.320.060.464ixmA GO:0000166 GO:0003924 GO:0005525 GO:0005829 GO:0006974 GO:0042802 GO:0046914
110.060.2996.740.080.485a1vK GO:0000139 GO:0005179 GO:0005198 GO:0005576 GO:0005615 GO:0005737 GO:0005794 GO:0006810 GO:0006886 GO:0006888 GO:0006890 GO:0006891 GO:0015031 GO:0016020 GO:0016192 GO:0030117 GO:0030126 GO:0030157 GO:0030663 GO:0031410 GO:0070062
120.060.2876.970.110.484ci8A GO:0000226 GO:0002244 GO:0005509 GO:0005737 GO:0005829 GO:0005856 GO:0005874 GO:0005875 GO:0007052 GO:0007405 GO:0007420 GO:0008017 GO:0015631 GO:0048471 GO:0097431 GO:1990023
130.060.2927.140.030.493mkqA GO:0005198 GO:0006886 GO:0016192 GO:0030117
140.060.2998.110.050.584xfvA GO:0002098 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006357 GO:0006810 GO:0008017 GO:0015031 GO:0032447 GO:0033588
150.060.2687.310.040.461nr0A GO:0003779 GO:0005737 GO:0005856 GO:0016528 GO:0030016 GO:0030240 GO:0030836 GO:0030837 GO:0040011 GO:0040012 GO:0042643 GO:0051015 GO:0071689
160.060.2777.520.050.492ymuA GO:0016020 GO:0016021
170.060.2806.930.040.463jroA GO:0000139 GO:0005198 GO:0005634 GO:0005643 GO:0005773 GO:0005774 GO:0005783 GO:0005789 GO:0006810 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0030127 GO:0030433 GO:0031080 GO:0031081 GO:0031410 GO:0035859 GO:0042802 GO:0043547 GO:0045893 GO:0051028 GO:0090114 GO:1904263
180.060.2857.180.040.495a1uD GO:0000139 GO:0005198 GO:0005737 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0006888 GO:0006890 GO:0006891 GO:0015031 GO:0016020 GO:0016192 GO:0030117 GO:0030126 GO:0030663 GO:0031410 GO:1901998


Consensus prediction of GO terms
 
Molecular Function GO:0016505 GO:0043028 GO:0005524 GO:0005515
GO-Score 0.54 0.54 0.45 0.44
Biological Processes GO:0043280 GO:0051259 GO:0006309 GO:0051128 GO:0071495 GO:0036293 GO:0048869 GO:0034976 GO:0071363 GO:0014020 GO:0010658 GO:1903624 GO:0071559 GO:0031667 GO:2001233 GO:0097193 GO:0060606 GO:0070997 GO:0007420 GO:0009967 GO:1900117
GO-Score 0.54 0.54 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
Cellular Component GO:0043234 GO:0044445 GO:1903561 GO:0043231 GO:0031988
GO-Score 0.54 0.54 0.44 0.44 0.44

(a)CscoreGO 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)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa 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 CscoreGO 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.