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I-TASSER results for job id Rv0574c

[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
10.42 51 2wdcA MN Rep, Mult 41,94,126,127,233,265
20.11 14 3ivdA MN Rep, Mult 41,43,94,267
30.01 1 1ii7A MN Rep, Mult 15,86,126,233,265
40.01 1 3ib7A MN Rep, Mult 125,232,264
50.01 2 1ho5B PO4 Rep, Mult 94,126,127,186,265
60.01 1 2z06A CO Rep, Mult 251,255

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
10.0661warA0.5124.220.1070.6473.1.3.2179,244,267
20.0603bg3A0.4725.230.0860.6636.4.1.1NA
30.0602fhcA0.4406.100.0540.6953.2.1.41NA
40.0602fhbA0.4406.190.0540.7003.2.1.41233
50.0603ecqB0.4406.180.0670.6873.2.1.9793
60.0601oidA0.7073.620.1110.8343.6.1.45,3.1.3.5126
70.0602z1aA0.7143.220.1670.8183.1.3.5NA
80.0601rqeA0.4565.510.0930.6502.1.3.1153
90.0601jqoA0.4725.810.0720.6954.1.1.31NA
100.0601hp4A0.4395.930.0770.6633.2.1.5292
110.0601m7jA0.4356.000.0650.6553.5.1.81NA
120.0601tiwA0.4356.040.0980.6661.5.1.12,1.5.99.896,137,198
130.0601xzwB0.4734.470.0860.6133.1.3.2NA
140.0602vvnA0.4535.960.0520.6843.2.1.52NA
150.0603dlaD0.4455.400.0690.6266.3.5.1NA
160.0602vkzG0.4425.280.0760.6212.3.1.38,3.1.2.14153
170.0601k87A0.4356.040.0980.6661.5.99.8137,198
180.0602uv8G0.4415.280.0830.6212.3.1.86NA
190.0602nxfA0.5094.370.1080.6553.6.1.16,3.6.1.53,3.6.1.13127,285
200.0601djnA0.4486.060.0710.6871.5.8.2,1.5.99.7246

(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
00.290.7033.710.120.831ho5A GO:0000166 GO:0008253 GO:0008768 GO:0009166 GO:0016311 GO:0016787 GO:0016788 GO:0030288 GO:0042597 GO:0046872
10.280.7163.110.090.823ivdA GO:0000166 GO:0009166 GO:0016787 GO:0016788 GO:0046872
20.280.6563.240.120.763gveA GO:0000166 GO:0003824 GO:0005576 GO:0005618 GO:0008152 GO:0008253 GO:0008254 GO:0008663 GO:0009166 GO:0016311 GO:0016787 GO:0016788 GO:0046872
30.260.6743.740.100.813c9fB GO:0009166 GO:0016787 GO:0046872
40.230.7063.610.140.833zu0B GO:0000166 GO:0008253 GO:0009166 GO:0016311 GO:0016787 GO:0016788 GO:0042597 GO:0046872
50.160.6913.380.110.814uwqA GO:0000166 GO:0009166 GO:0016787 GO:0046872
60.130.7462.930.150.844h1yP GO:0000166 GO:0005737 GO:0005886 GO:0006164 GO:0006195 GO:0006196 GO:0006259 GO:0007159 GO:0007420 GO:0008198 GO:0008253 GO:0009166 GO:0009986 GO:0010044 GO:0016020 GO:0016311 GO:0016787 GO:0016788 GO:0031225 GO:0046085 GO:0046086 GO:0046135 GO:0046872 GO:0046889 GO:0050728 GO:0070062 GO:0097060
70.110.7033.620.140.833ztvA GO:0000166 GO:0008253 GO:0009166 GO:0016311 GO:0016787 GO:0016788 GO:0042597 GO:0046872
80.110.7143.220.170.822z1aA GO:0000166 GO:0009166 GO:0016787 GO:0016788 GO:0046872
90.090.6603.370.120.775eqvA GO:0000166 GO:0008663 GO:0009117 GO:0009166 GO:0016787 GO:0016788 GO:0046872
100.090.6583.780.140.794q7fA GO:0000166 GO:0009166 GO:0016787 GO:0016788 GO:0046872
110.080.6583.340.120.773jyfA GO:0000166 GO:0008663 GO:0009117 GO:0009166 GO:0016787 GO:0016788 GO:0046872
120.070.4843.500.100.571uf3A GO:0046872
130.060.3045.340.070.441vqtA GO:0003824 GO:0004590 GO:0005829 GO:0006207 GO:0006221 GO:0008152 GO:0016829 GO:0016831 GO:0044205
140.060.2926.680.080.492vvtA GO:0006807 GO:0008152 GO:0008360 GO:0008881 GO:0009252 GO:0016853 GO:0016855 GO:0036361 GO:0071555
150.060.2735.430.060.393e9cA GO:0003824 GO:0004083 GO:0004331 GO:0005634 GO:0005737 GO:0005739 GO:0005741 GO:0005829 GO:0006003 GO:0006914 GO:0006915 GO:0008152 GO:0016311 GO:0016787 GO:0030388
160.060.3225.760.070.481y7iB GO:0002376 GO:0006952 GO:0008152 GO:0009862 GO:0016298 GO:0016787 GO:0045087 GO:0080031
170.060.2697.030.060.464l0eA GO:0004497 GO:0005506 GO:0016491 GO:0016705 GO:0020037 GO:0046872 GO:0055114
180.060.2416.480.020.394efjA GO:0004519 GO:0005739 GO:0090305
190.060.2416.250.040.381a0iA GO:0000166 GO:0003677 GO:0003909 GO:0003910 GO:0005524 GO:0006260 GO:0006281 GO:0006310 GO:0006974 GO:0016874 GO:0046872 GO:0051103


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0000166 GO:0008253 GO:0016462 GO:0004112
GO-Score 0.79 0.72 0.61 0.58 0.56
Biological Processes GO:0009166 GO:0016311
GO-Score 0.79 0.61
Cellular Component GO:0030313 GO:0030312 GO:0042597
GO-Score 0.58 0.56 0.46

(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.