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I-TASSER results for job id Rv0899

[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 7 1js4A CA Rep, Mult 261,315,318,319
20.10 4 2d2mD OXY Rep, Mult 277,281
30.10 4 5i50B NUC Rep, Mult 270,273,274,277
40.05 2 4zdrB TME Rep, Mult 280,283
50.02 1 3prqX CLA Rep, Mult 273,280
60.02 1 1ga2B BGC Rep, Mult 283,285,323
70.02 1 1mxdA ACR Rep, Mult 240,243,258

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
10.0601tnzL0.3366.890.0720.5982.5.1.59NA
20.0601ffuB0.3456.080.0620.5521.2.99.2NA
30.0601mhyD0.3326.680.0700.5771.14.13.25NA
40.0601lwhA0.3447.180.0490.6232.4.1.25NA
50.0601ileA0.3546.820.0550.5986.1.1.5NA
60.0601fziA0.3276.380.0210.5281.14.13.25NA
70.0601nj1A0.3386.400.0210.5686.1.1.15NA
80.0601g59A0.3376.410.0670.5586.1.1.17NA
90.0601k32A0.3116.730.0670.5283.4.21.-NA
100.0601lj8A0.3356.800.0490.5831.1.1.67273
110.0601gz3A0.3426.580.0470.5861.1.1.38NA
120.0603c8yA0.3396.700.0330.5741.12.7.2250,253
130.0601g87B0.3616.370.0440.5983.2.1.4NA
140.0602tmdA0.3336.990.0310.5921.5.8.2227
150.0601nj6A0.3346.470.0080.5686.1.1.15260,273
160.0601kqfA0.3417.090.0360.6201.2.1.2NA
170.0601px8A0.3416.540.0590.5803.2.1.37NA
180.0601ksdA0.3626.770.0570.6263.2.1.4275
190.0601f1sA0.3686.740.0660.6384.2.2.1288

(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
00.060.3946.490.050.664jjjA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0008810 GO:0016162 GO:0016787 GO:0016798 GO:0030245 GO:0030246 GO:0030247 GO:0046872
10.060.3546.820.060.601ileA GO:0000166 GO:0002161 GO:0004812 GO:0004822 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006428 GO:0006450 GO:0008270 GO:0016874 GO:0046872
20.060.3786.390.070.645bv9A GO:0003824 GO:0004553 GO:0008810 GO:0016787 GO:0030245
30.060.3037.430.050.574fusA GO:0003824 GO:0004553 GO:0005975 GO:0008810 GO:0030245 GO:0030246 GO:0030247
40.060.3956.400.060.654xwlA GO:0000272 GO:0003824 GO:0004553 GO:0008152 GO:0008810 GO:0016162 GO:0016787 GO:0016798 GO:0030245
50.060.3496.690.030.601f9dA GO:0000272 GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0008810 GO:0016787 GO:0016798 GO:0030245
60.060.3496.440.040.583zgzD GO:0000166 GO:0002161 GO:0004812 GO:0004823 GO:0005524 GO:0005737 GO:0005829 GO:0006412 GO:0006418 GO:0006429 GO:0006450 GO:0016874
70.060.3396.710.060.584l0gA GO:0000272 GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0008810 GO:0016787 GO:0016798 GO:0030245 GO:0030246 GO:0030248 GO:0046872
80.060.3306.850.050.581a47A GO:0003824 GO:0005576 GO:0005975 GO:0016740 GO:0016757 GO:0030246 GO:0043169 GO:0043895 GO:0046872 GO:2001070
90.060.3706.540.030.621gaxA GO:0000166 GO:0002161 GO:0004812 GO:0004832 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006438 GO:0006450 GO:0016874 GO:0046872
100.060.2907.100.040.532bteA GO:0000166 GO:0002161 GO:0004812 GO:0004823 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006429 GO:0006450 GO:0016874 GO:0046872
110.060.3966.340.030.661l1yA GO:0000272 GO:0003824 GO:0004553 GO:0005576 GO:0005975 GO:0008152 GO:0008810 GO:0016787 GO:0016798 GO:0030245 GO:0046872
120.060.3376.960.050.603kflA GO:0000166 GO:0000287 GO:0004812 GO:0004825 GO:0005524 GO:0005737 GO:0005829 GO:0006412 GO:0006418 GO:0006431 GO:0016874
130.060.3636.930.030.633ziuA GO:0000166 GO:0004812 GO:0004823 GO:0005524 GO:0006418 GO:0006429 GO:0016874
140.060.3236.440.040.541u0bB GO:0000166 GO:0004812 GO:0004817 GO:0005524 GO:0005737 GO:0005829 GO:0006412 GO:0006418 GO:0006423 GO:0008270 GO:0016874 GO:0046872
150.060.2956.910.030.511obhA GO:0000166 GO:0002161 GO:0004812 GO:0004823 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006429 GO:0006450 GO:0016874 GO:0046872
160.060.3336.300.040.532x1lA GO:0000166 GO:0004812 GO:0004825 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006431 GO:0016874
170.060.3106.650.050.524mw1B GO:0000166 GO:0004812 GO:0004825 GO:0005524 GO:0005737 GO:0005829 GO:0006412 GO:0006418 GO:0006431 GO:0016874
180.060.3376.620.070.561a8hA GO:0000049 GO:0000166 GO:0003723 GO:0004812 GO:0004825 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006431 GO:0016874 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0016798
GO-Score 0.47
Biological Processes GO:0051275 GO:0030243
GO-Score 0.47 0.47
Cellular Component GO:0005737
GO-Score 0.07

(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.