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I-TASSER results for job id Rv1592c

[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
10.52 8 2veoB GOL Rep, Mult 116,168,205,206,242,246,350,351
20.18 3 2veoA PG4 Rep, Mult 116,168,169,205,239,242,243,246,254,258,259,262,326
30.04 1 2veo0 III Rep, Mult 28,29,31,35,37,60,65,130,131,132,133
40.04 1 2jbwA NA Rep, Mult 145,146,147,150,152,154,156

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
10.4541thtA0.4863.940.0910.5812.3.1.-205,380
20.3631vlqA0.5102.990.1040.5743.1.1.41205,348,380
30.0953fcyA0.5103.120.1040.5793.1.1.41205,348,380
40.0671l7aA0.5133.150.1200.5813.1.1.72,3.1.1.41205,380
50.0671qz3A0.4973.930.1280.5943.1.1.1205,352,380
60.0673fakA0.4783.570.1100.5563.1.1.-NA
70.0663fcxB0.4663.350.1120.5433.1.2.12348
80.0632jbwD0.5513.920.1420.6523.7.1.-205,380
90.0621yr2A0.5234.080.0870.6263.4.21.26205,348
100.0601k4yA0.5225.170.1080.6913.1.1.1NA
110.0601gz7A0.5225.210.0610.6953.1.1.3NA
120.0601k8qA0.5164.850.0990.6593.1.1.3380
130.0601c7jA0.5174.930.0780.6703.1.1.-205,380
140.0601lpsA0.5235.290.0760.7003.1.1.350,92
150.0602bklB0.5254.240.1130.6343.4.21.26234,348,380
160.0602veoB0.9041.090.2730.9213.1.1.3163,165,172,221
170.0601thgA0.5155.620.0780.7043.1.1.3210
180.0601hlgB0.5104.400.1040.6323.1.1.3263
190.0603fvrA0.5153.230.1090.5853.1.1.6380
200.0601nx9A0.5544.520.0810.6883.1.1.43164,181
210.0601e5tA0.5294.180.0930.6343.4.21.26234,348,380
220.0601orvA0.5264.000.1100.6193.4.14.5205,348,380
230.0603g0bB0.5254.050.0980.6193.4.14.5NA
240.0601aknA0.5365.120.0870.7063.1.1.13,3.1.1.3205
250.0602ecfA0.5263.830.1160.6123.4.14.5NA

(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
00.290.6782.840.160.764eziA GO:0004806 GO:0016042
10.240.6793.140.160.773h2kA GO:0004177 GO:0004806 GO:0006508 GO:0016042
20.220.9041.110.270.923guuA GO:0004806 GO:0005576 GO:0006629 GO:0016042 GO:0016787
30.110.4054.510.120.503qitB GO:0003824 GO:0008152 GO:0016740 GO:0031177
40.070.4703.450.130.553e4dA GO:0016787 GO:0018738 GO:0046294 GO:0046872 GO:0052689
50.070.5753.830.090.683wmtA GO:0000272 GO:0005576 GO:0005975 GO:0016787 GO:0016998 GO:0030600 GO:0045493 GO:0046872 GO:0052689
60.070.5034.270.120.614j7aA GO:0008152 GO:0016787
70.070.4753.400.120.563i6yA GO:0016787 GO:0018738 GO:0046294 GO:0052689
80.070.4733.720.110.564b6gA GO:0016787 GO:0018738 GO:0046294 GO:0052689
90.060.4193.890.100.504ns4A GO:0016787 GO:0016788
100.060.3176.720.050.503sqzA GO:0003824 GO:0004421 GO:0008152 GO:0008299 GO:0016740 GO:0016746
110.060.3486.560.040.543egdB GO:0000139 GO:0002474 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0019886 GO:0030127 GO:0045714 GO:0048208 GO:0048471 GO:0050714 GO:2000189
120.060.3006.850.070.494v85AW GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005829 GO:0006412 GO:0006415 GO:0006449 GO:0016149 GO:0016150 GO:0019003
130.060.2876.000.050.414q9dB GO:0000287 GO:0003824 GO:0016829 GO:0030976 GO:0046872 GO:0050695
140.060.2957.620.030.512wvaX GO:0000287 GO:0003824 GO:0004737 GO:0016829 GO:0016831 GO:0030976 GO:0046872
150.060.2767.210.040.462xexB GO:0000166 GO:0003746 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0006412 GO:0006414
160.060.2766.460.070.423lehA GO:0003824 GO:0004421 GO:0008152 GO:0008299 GO:0016740 GO:0016746
170.060.2706.630.050.424uxdA GO:0003824 GO:0005975 GO:0006007 GO:0008152 GO:0008674 GO:0008675 GO:0016829 GO:0016832 GO:0061677
180.060.2685.950.040.393qufB GO:0005215 GO:0006810
190.060.2545.450.030.353qh8A GO:0000166 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0004806 GO:0008238
GO-Score 0.58 0.49
Biological Processes GO:0016042 GO:0019538
GO-Score 0.58 0.49
Cellular Component GO:0005576
GO-Score 0.22

(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.