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I-TASSER results for job id Rv1366

[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
10.18 7 5deeU APC Rep, Mult 75,77,79,80,83,87,90,101,104,105,106,160,162,176
20.16 5 5dedA 0O2 Rep, Mult 77,79,87,90,91,135,137,142,145,149,160,162,172,175,176
30.05 2 5dedB 0O2 Rep, Mult 59,63,66,73,75,169
40.05 2 5f2vU MG Rep, Mult 101,160,162
50.04 2 3fyiA DMU Rep, Mult 143,168,172,175
60.03 1 5f2vY MG Rep, Mult 87,101,160
70.02 1 1vj7B GPX Rep, Mult 1,2
80.02 1 1qleA CA Rep, Mult 87,91,92,100
90.02 1 3fyeA DMU Rep, Mult 170,171,174,175,178
100.02 1 1vj7A GDP Rep, Mult 77,135,137,142,145,149,162,172

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
10.0602occN0.4385.930.0510.6851.9.3.1NA
20.0601pn0C0.3885.770.0450.6151.14.13.7NA
30.0602tmdA0.3666.280.0690.6261.5.8.2NA
40.0601ax4A0.3856.560.0400.6894.1.99.1NA
50.0603hx0A0.3914.790.0790.5532.7.7.7,NA
60.0601eqbB0.3946.090.0720.6592.1.2.179
70.0601occA0.4015.690.0440.6341.9.3.1NA
80.0601bxrA0.4236.170.0320.7186.3.5.5NA
90.0601m56A0.4495.970.0290.7141.9.3.1174
100.0601mhsA0.4005.730.0460.6193.6.3.6108
110.0603gbxA0.3746.270.0610.6302.1.2.1NA
120.0601vj7A0.4913.890.1690.6122.7.6.5,3.1.7.2199
130.0602w00B0.3895.970.0390.6373.1.21.3NA
140.0601jmsA0.4395.050.1440.6372.7.7.31NA
150.0601eulA0.3836.010.0370.6153.6.3.8110
160.0603b8eC0.3835.870.0470.6233.6.3.986,108,165
170.0601up8A0.3766.060.0630.6411.11.1.18NA
180.0602ihmB0.4084.820.0730.5822.7.7.7NA
190.0603fvsA0.3486.750.0380.6302.6.1.7,2.6.1.64,4.4.1.13NA

(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
00.290.6172.180.230.663l9dA GO:0015969 GO:0016301 GO:0016310
10.280.6211.460.230.655dedA GO:0000166 GO:0005524 GO:0005525 GO:0008728 GO:0008893 GO:0015969 GO:0015970 GO:0016301 GO:0016310 GO:0016740 GO:0042594 GO:0046872
20.220.6311.900.220.672be3A GO:0015969
30.210.4805.750.050.753o0rB 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
40.140.4803.710.150.595iqr8 GO:0000166 GO:0005524 GO:0005525 GO:0005618 GO:0005886 GO:0008152 GO:0008728 GO:0008893 GO:0015949 GO:0015969 GO:0015970 GO:0016301 GO:0016310 GO:0016597 GO:0016740 GO:0042594
50.130.4913.890.170.611vj7A GO:0000166 GO:0005524 GO:0005525 GO:0008152 GO:0008728 GO:0008893 GO:0015969 GO:0015970 GO:0016301 GO:0016310 GO:0016597 GO:0016740 GO:0016787 GO:0046872
60.070.5005.750.060.773ayfA GO:0004129 GO:0005506 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0020037 GO:0046872 GO:0055114 GO:1902600
70.060.4745.810.040.744xydA GO:0004129 GO:0005506 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0016491 GO:0016966 GO:0020037 GO:0055114 GO:0070469 GO:1902600
80.060.4795.880.040.755djqA 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
90.060.3036.240.030.504b2qE GO:0000166 GO:0005524 GO:0005739 GO:0005743 GO:0005754 GO:0005758 GO:0005829 GO:0006626 GO:0006754 GO:0006810 GO:0006811 GO:0015986 GO:0015991 GO:0015992 GO:0016020 GO:0016787 GO:0016820 GO:0016887 GO:0033178 GO:0045261 GO:0046034 GO:0046933 GO:0046961
100.060.3166.130.070.553qe9Y GO:0000731 GO:0000732 GO:0002376 GO:0002455 GO:0003677 GO:0003682 GO:0003824 GO:0004518 GO:0004519 GO:0004523 GO:0004527 GO:0005634 GO:0005654 GO:0005737 GO:0006260 GO:0006281 GO:0006298 GO:0006310 GO:0006974 GO:0008409 GO:0016446 GO:0016787 GO:0016788 GO:0035312 GO:0045145 GO:0045190 GO:0046872 GO:0048256 GO:0051321 GO:0051908 GO:0090305 GO:0090502 GO:1901796
110.060.2686.260.030.454rpwA GO:0000155 GO:0000160 GO:0005622 GO:0006355 GO:0007165 GO:0009584 GO:0009881 GO:0016301 GO:0016310 GO:0018298 GO:0023014
120.060.2956.250.040.494lnvB GO:0004866 GO:0005576 GO:0005615 GO:0010951
130.060.2416.070.060.401imvA GO:0001822 GO:0004867 GO:0005576 GO:0005604 GO:0005615 GO:0007275 GO:0007568 GO:0007614 GO:0008283 GO:0010447 GO:0010596 GO:0010629 GO:0010951 GO:0010976 GO:0016525 GO:0030424 GO:0031012 GO:0042470 GO:0042698 GO:0043025 GO:0043203 GO:0046685 GO:0048471 GO:0050728 GO:0050769 GO:0060041 GO:0060770 GO:0070062 GO:0071279 GO:0071300 GO:0071333 GO:0071549 GO:1901215
140.060.2676.900.040.503e49A GO:0003824 GO:0016740 GO:0019475 GO:0046872
150.060.2825.620.070.444q5rA GO:0004364 GO:0016740
160.060.2456.670.010.455cuvA GO:0000287 GO:0004427 GO:0005737 GO:0006796
170.060.2466.230.040.424ekzA GO:0000302 GO:0003756 GO:0004656 GO:0005178 GO:0005576 GO:0005783 GO:0005788 GO:0005793 GO:0005886 GO:0005925 GO:0006457 GO:0009897 GO:0016020 GO:0016222 GO:0016853 GO:0018401 GO:0019899 GO:0031012 GO:0034663 GO:0034976 GO:0042158 GO:0042470 GO:0044822 GO:0045454 GO:0046598 GO:0046982 GO:0070062 GO:0071456 GO:1902175
180.060.2836.130.040.482vcvA GO:0004364 GO:0005737 GO:0005829 GO:0006749 GO:0008152 GO:0016740 GO:0070062 GO:1901687


Consensus prediction of GO terms
 
Molecular Function GO:0016301 GO:0015078 GO:0046906 GO:0015002 GO:0046914 GO:0016662 GO:0016676 GO:0005524 GO:0008893 GO:0008728 GO:0005525
GO-Score 0.56 0.42 0.42 0.42 0.42 0.42 0.42 0.38 0.38 0.38 0.38
Biological Processes GO:0016310 GO:0045333 GO:0071941 GO:0015992 GO:0098662 GO:0015970 GO:0042594
GO-Score 0.56 0.42 0.42 0.42 0.42 0.38 0.38
Cellular Component GO:0031224 GO:0005886
GO-Score 0.33 0.32

(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.