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I-TASSER results for job id Rv0647c

[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
10.20 12 5i35A ANP Rep, Mult 167,169,171,172,176,188,190,282,283,285,332,334,344,345
20.12 7 4j99D MG Rep, Mult 190,245,345,347
30.12 7 3g15A MG Rep, Mult 332,345
40.03 2 1q97B ADN Rep, Mult 170,176,188,268,283,284,285
50.02 1 1l8tA MG Rep, Mult 172,345
60.02 1 3c46A 2HP Rep, Mult 250,269,270,271

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
10.0602b9iA0.3535.240.0980.4532.7.11.24,2.7.1.37327,332
20.0602fhbA0.3157.370.0300.5163.2.1.41NA
30.0603k2lA0.3525.670.0760.4692.7.12.1327,332
40.0602jiiB0.3564.710.0950.4512.7.11.1NA
50.0602vx3A0.3515.130.0980.4552.7.12.1241,278
60.0603kx2B0.3647.460.0480.6073.6.4.13131
70.0602b4kA0.3017.560.0540.5063.1.1.43329
80.0602fhcA0.3517.480.0510.5803.2.1.41334
90.0601mpxA0.3457.280.0390.5663.2.1.43NA
100.0602excX0.3305.370.0750.4322.7.11.24,2.7.1.37327,332
110.0601nx9A0.3557.030.0660.5683.1.1.43194
120.0603e7oA0.3375.150.1050.4412.7.11.24327,332
130.0601kblA0.2997.690.0550.5042.7.9.1NA
140.0602eabA0.3507.360.0370.5783.2.1.63NA
150.0603c46B0.3537.360.0440.5762.7.7.6234
160.0602vd5A0.3494.730.0840.4362.7.11.1327,332
170.0601s0kA0.3587.480.0400.6003.2.1.18332
180.0602wu6A0.3455.320.0980.4512.7.12.1327,332
190.0603ebgA0.3527.380.0460.5863.4.11.-NA

(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
00.250.7511.470.200.774pedA GO:0000166 GO:0005524 GO:0005739 GO:0006744 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0043531
10.060.4245.260.050.573to3B GO:0000166 GO:0005524 GO:0005623 GO:0015343 GO:0019290 GO:0044718 GO:0046872
20.060.4205.420.080.572x0qA GO:0000166 GO:0005524 GO:0005623 GO:0015343 GO:0019290 GO:0044718 GO:0046872
30.060.3027.630.040.512va8B
40.060.2877.820.030.494ml8A GO:0000166 GO:0003824 GO:0009690 GO:0016491 GO:0016614 GO:0019139 GO:0050660 GO:0055114
50.060.2897.600.030.494mlaB GO:0000166 GO:0003824 GO:0009690 GO:0016491 GO:0016614 GO:0019139 GO:0050660 GO:0055114
60.060.4065.290.060.532x3jA GO:0000166 GO:0005524 GO:0005623 GO:0015343 GO:0019290 GO:0044718 GO:0046872
70.060.2547.530.050.425jpiA GO:0004013 GO:0006730 GO:0016787
80.060.2327.270.040.383h9mA GO:0009058 GO:0016829
90.060.2727.100.040.442j37W GO:0000166 GO:0003723 GO:0003924 GO:0005525 GO:0005634 GO:0005730 GO:0005737 GO:0005786 GO:0005829 GO:0006614 GO:0006616 GO:0006617 GO:0008144 GO:0008312 GO:0019003 GO:0030529 GO:0030942 GO:0042493 GO:0043021 GO:0044822 GO:0045047 GO:0048500
100.060.2347.500.040.392zwyA GO:0004560 GO:0005975 GO:0006004
110.060.2396.750.050.363ab4A GO:0000166 GO:0004072 GO:0005524 GO:0008152 GO:0008652 GO:0009085 GO:0009088 GO:0009089 GO:0016301 GO:0016310 GO:0016597 GO:0016740 GO:0019877
120.060.2237.690.040.383d6kC GO:0003824
130.060.2216.250.040.335fsrA GO:0004175 GO:0004180 GO:0005886 GO:0005887 GO:0006508 GO:0008233 GO:0008360 GO:0008658 GO:0009002 GO:0009252 GO:0016020 GO:0016787 GO:0071555
140.060.2216.570.070.342dt8A GO:0008289
150.060.2097.060.040.331o8cA GO:0005737 GO:0008270 GO:0016491 GO:0043957 GO:0055114
160.060.2086.720.010.323j7y7 GO:0000002 GO:0000166 GO:0003723 GO:0004827 GO:0005739 GO:0005743 GO:0005761 GO:0005840 GO:0006418 GO:0006433 GO:0016876 GO:0030529 GO:0044822 GO:0070125 GO:0070126
170.060.2036.670.070.321ycdB GO:0005634 GO:0005737 GO:0016787 GO:0052689
180.060.1805.660.060.254gjhC GO:0004842 GO:0004871 GO:0005737 GO:0005813 GO:0005829 GO:0006915 GO:0007165 GO:0008270 GO:0008284 GO:0009898 GO:0016567 GO:0031625 GO:0031996 GO:0035631 GO:0042981 GO:0043123 GO:0046872 GO:0051091 GO:0051092


Consensus prediction of GO terms
 
Molecular Function GO:0016772 GO:0005524
GO-Score 0.50 0.34
Biological Processes GO:0006796 GO:0006743 GO:1901663
GO-Score 0.50 0.50 0.50
Cellular Component GO:0043231 GO:0044444 GO:0031224
GO-Score 0.50 0.50 0.40

(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.