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I-TASSER results for job id Rv3294c

[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
10.10 5 1bpyA MG Rep, Mult 195,197
20.07 3 3dtuC DXC Rep, Mult 136,139,140,143,169,172
30.06 3 5ie9C MN Rep, Mult 168,171,172,195,198,199
40.02 1 2ia5C MG Rep, Mult 190,197
50.02 1 3wjoA IPE Rep, Mult 55,58,126
60.02 1 2wieA CVM Rep, Mult 167,170
70.02 1 3s8gA OLC Rep, Mult 102,106,137,138,140
80.02 1 3j0eG NUC Rep, Mult 70,73
90.02 1 3omiC TRD Rep, Mult 135,138,142
100.02 1 4o6mA MPG Rep, Mult 74,135,139
110.02 1 1qizD RCO Rep, Mult 102,103
120.02 1 1kprA III Rep, Mult 105,192
130.02 1 4c7rC CM5 Rep, Mult 62,64,68,72
140.02 1 3fyeA DMU Rep, Mult 47,74,75,78,79,82
150.02 1 3syyA MG Rep, Mult 197,211,212
160.02 1 3odhA CA Rep, Mult 165,197
170.02 1 3slpA CA Rep, Mult 197,211

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
10.0601xmeA0.5275.670.0500.8251.9.3.1NA
20.0601b0pA0.4115.770.0410.6511.2.7.1NA
30.0602bixA0.4115.840.0350.6801.14.99.-NA
40.0601fbvA0.4535.020.0850.6476.3.2.19NA
50.0601no3A0.4076.370.0550.7031.13.11.12NA
60.0601m56A0.4925.780.0540.7991.9.3.1NA
70.0602pdaA0.4175.930.0450.6651.2.7.181
80.0601mhsA0.4155.930.0570.6953.6.3.6NA
90.0603b8cB0.4036.130.0470.6693.6.3.679,108,177
100.0603djlA0.4174.790.0600.5911.3.99.-NA
110.0601peuA0.4126.300.0740.7031.17.4.1NA
120.0603c66A0.4056.650.0360.7472.7.7.19NA
130.0601iduA0.4266.610.0580.7551.11.1.10NA
140.0601n1hA0.4235.910.0600.6882.7.7.48145
150.0603h0lA0.4036.140.0500.6626.3.5.-NA
160.0603b8eC0.4306.220.0530.7443.6.3.978,80,96,162
170.0603ixzA0.4396.110.0430.7363.6.3.10NA
180.0601mo7A0.2716.330.0510.4763.6.3.950,80,142
190.0602r7oA0.4045.680.0500.6392.7.7.4873

(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
00.280.4925.780.050.801m56A GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0006119 GO:0006810 GO:0006811 GO:0009055 GO:0009060 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0022900 GO:0046872 GO:0055114 GO:0070469 GO:1902600
10.200.4905.780.060.793o0rB GO:0004129 GO:0005506 GO:0005886 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0016491 GO:0016966 GO:0019333 GO:0020037 GO:0046872 GO:0055114 GO:0070469 GO:1902600
20.180.4965.730.050.801occA GO:0004129 GO:0005506 GO:0005739 GO:0005743 GO:0006119 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0045277 GO:0046872 GO:0055114 GO:0070469 GO:1902600
30.070.4995.690.040.795djqA GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0005887 GO:0006119 GO:0009055 GO:0009060 GO:0015078 GO:0015990 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0016705 GO:0019411 GO:0019646 GO:0019825 GO:0020037 GO:0045154 GO:0045278 GO:0046872 GO:0055114 GO:0070069 GO:0070469 GO:0070470 GO:1902600
40.070.5115.540.070.812yevA GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0006119 GO:0006810 GO:0006811 GO:0009055 GO:0009060 GO:0015002 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0022900 GO:0022904 GO:0046872 GO:0055114 GO:0070469 GO:1902600
50.070.4815.930.040.801qleA GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0006119 GO:0006810 GO:0006811 GO:0009055 GO:0009060 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0022900 GO:0046872 GO:0055114 GO:0070469 GO:1902600
60.070.3495.200.030.515flzB GO:0000226 GO:0000922 GO:0000923 GO:0000928 GO:0005200 GO:0005634 GO:0005737 GO:0005813 GO:0005815 GO:0005816 GO:0005822 GO:0005824 GO:0005856 GO:0005874 GO:0007020 GO:0007126 GO:0030472 GO:0031122 GO:0043015 GO:0051011 GO:0051298 GO:0051415 GO:0090307
70.070.5315.670.050.833eh3A GO:0004129 GO:0005506 GO:0005886 GO:0006119 GO:0006811 GO:0009055 GO:0009060 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0070469 GO:1902600
80.060.5105.670.050.821fftA GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0005887 GO:0006811 GO:0009055 GO:0009060 GO:0009319 GO:0009486 GO:0015078 GO:0015453 GO:0015990 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0016682 GO:0019646 GO:0020037 GO:0046872 GO:0048039 GO:0055114 GO:0070469
90.060.5144.150.080.673ripA GO:0000226 GO:0000922 GO:0000923 GO:0000930 GO:0005200 GO:0005737 GO:0005813 GO:0005815 GO:0005816 GO:0005829 GO:0005856 GO:0005874 GO:0006461 GO:0007020 GO:0007126 GO:0008274 GO:0015630 GO:0016020 GO:0031122 GO:0043015 GO:0044732 GO:0051011 GO:0051298 GO:0051415 GO:0055037 GO:0090307
100.060.3793.960.060.505flzA GO:0000226 GO:0000922 GO:0000923 GO:0000928 GO:0005200 GO:0005634 GO:0005737 GO:0005813 GO:0005815 GO:0005816 GO:0005822 GO:0005824 GO:0005856 GO:0005874 GO:0007020 GO:0007126 GO:0031122 GO:0043015 GO:0051011 GO:0051298 GO:0051415 GO:0090307
110.060.3375.700.040.553mm5B GO:0006790 GO:0009055 GO:0016020 GO:0016491 GO:0018551 GO:0020037 GO:0046872 GO:0051536 GO:0051539 GO:0055114
120.060.3046.880.060.573ga7A GO:0005737 GO:0008152 GO:0016787 GO:0052689
130.060.3146.110.030.532p5oB GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
140.060.2606.720.030.493v7pA GO:0009234 GO:0016787 GO:0016810 GO:0046872
150.060.2636.110.030.435ekqD GO:0009279 GO:0016020 GO:0043165 GO:0051205 GO:1990063
160.060.3256.240.030.573gdeA GO:0000166 GO:0003677 GO:0003909 GO:0003910 GO:0005524 GO:0006260 GO:0006281 GO:0006310 GO:0006974 GO:0007049 GO:0016874 GO:0046872 GO:0051103 GO:0051301 GO:0071897
170.060.2573.090.070.314iwbA GO:0044780
180.060.2425.170.060.352wgbB GO:0003677 GO:0006351 GO:0006355


Consensus prediction of GO terms
 
Molecular Function GO:0004129 GO:0020037 GO:0005506 GO:0016662 GO:0005507
GO-Score 0.59 0.59 0.59 0.41 0.37
Biological Processes GO:0009060 GO:1902600 GO:0006119 GO:0071941 GO:0022900
GO-Score 0.59 0.59 0.48 0.41 0.33
Cellular Component GO:0016021 GO:0005886 GO:0098803 GO:0070069 GO:0031966 GO:0019866
GO-Score 0.59 0.50 0.36 0.36 0.36 0.36

(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.