[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv3311

[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
10.07 4 5ebzD PDX Rep, Mult 147,151,156
20.05 3 1jqkA SF4 Rep, Mult 248,249,253,254,284,290,293
30.04 2 3u7qB IMD Rep, Mult 31,34
40.04 2 1oaoA SF4 Rep, Mult 26,28,45,116,119
50.04 2 2o78A TCA Rep, Mult 261,264
60.04 2 3wmn2 BCL Rep, Mult 175,179
70.04 2 1so2D MG Rep, Mult 299,300
80.02 1 1w1yB TYP Rep, Mult 69,168
90.02 1 4r9xA CA Rep, Mult 226,336
100.02 1 1ocoO HEA Rep, Mult 122,160,161
110.02 1 2wpnB SBY Rep, Mult 52,55,105,109,110
120.02 1 3i04B SF4 Rep, Mult 120,121,123,157
130.02 1 2wpnB FCO Rep, Mult 107,108,171,174
140.02 1 3u7eB MG Rep, Mult 62,176
150.02 1 2x2vH DPV Rep, Mult 163,171
160.02 1 2q8hA TF4 Rep, Mult 51,101,175,346,349
170.02 1 3ibjA MG Rep, Mult 269,315
180.02 1 3fvyA MG Rep, Mult 274,275,278

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
10.0601h2rL0.3865.880.0600.5481.12.2.1108,113,172,352
20.0602vz8B0.3437.320.0560.5912.3.1.85NA
30.0602frvD0.3845.830.0490.5431.12.2.1NA
40.0601vdkA0.3435.540.0520.4794.2.1.2NA
50.0601yfmA0.3425.590.0600.4794.2.1.2NA
60.0601ffyA0.3406.650.0250.5386.1.1.5NA
70.0603czoB0.3606.550.0390.5554.3.1.3NA
80.0602nyfA0.3506.490.0530.5404.3.1.5NA
90.0602o6yA0.3446.870.0560.5484.3.1.-NA
100.0602jfdA0.2417.220.0270.4072.3.1.85NA
110.0603cf4A0.3477.130.0380.5791.2.99.249
120.0601jswB0.3375.600.0600.4764.3.1.1355
130.0601h2aL0.3876.040.0590.5551.12.2.1NA
140.0603g61A0.3436.600.0330.5333.6.3.44119,162,169
150.0603i39X0.3706.780.0450.5981.2.99.2141,392
160.0601yqwR0.3795.610.0620.5311.12.2.1NA
170.0602vdcA0.3346.850.0510.5431.4.1.13NA
180.0601j3uA0.3445.390.0690.4744.3.1.1257
190.0601y2mB0.3626.180.0660.5434.3.1.24NA

(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
00.210.7772.570.090.845j65A GO:0030435
10.110.5914.430.060.754k1pB GO:0009405 GO:0016020
20.070.6163.760.090.742nrjA GO:0005576 GO:0009405 GO:0016020 GO:0016021 GO:0019835 GO:0020002 GO:0033644 GO:0044179
30.070.4704.410.040.591qoyA GO:0005576 GO:0009405 GO:0016020 GO:0016021 GO:0019835 GO:0020002 GO:0033644 GO:0042597 GO:0042802 GO:0044179 GO:0044532 GO:0051715
40.060.3906.230.060.573ayxA GO:0008901 GO:0016151 GO:0016491 GO:0046872 GO:0055114
50.060.3885.940.050.551frvB GO:0008901 GO:0016151 GO:0016491 GO:0042597 GO:0046872 GO:0047806 GO:0055114
60.060.3805.720.050.541e3dB GO:0008901 GO:0016151 GO:0016491 GO:0046872 GO:0055114
70.060.3945.650.050.555aa5C GO:0016151
80.060.3665.690.060.514kl8L GO:0008901 GO:0016151 GO:0016491 GO:0046872 GO:0051536 GO:0051539 GO:0055114
90.060.4065.930.050.584c3oA GO:0008901 GO:0016151 GO:0016491 GO:0046872 GO:0055114
100.060.3796.020.050.545a4mL GO:0005886 GO:0006113 GO:0008901 GO:0009055 GO:0009061 GO:0016020 GO:0016151 GO:0016491 GO:0030288 GO:0033748 GO:0044569 GO:0046872 GO:0055114
110.060.4105.810.060.584iubL GO:0005886 GO:0008901 GO:0016020 GO:0016151 GO:0016491 GO:0033748 GO:0046872 GO:0055114
120.060.3876.040.060.551h2aL GO:0008901 GO:0016151 GO:0016491 GO:0042597 GO:0046872 GO:0047806 GO:0055114
130.060.3985.700.070.563myrD GO:0008901 GO:0016151 GO:0016491 GO:0046872 GO:0055114
140.060.3715.660.060.512wpnB GO:0008901 GO:0016151 GO:0016491 GO:0046872 GO:0051536 GO:0051539 GO:0055114
150.060.2705.700.070.384hea4 GO:0005886 GO:0006810 GO:0016020 GO:0016491 GO:0016651 GO:0048038 GO:0050136 GO:0051287 GO:0055114
160.060.3795.610.070.533curH GO:0008901 GO:0016151 GO:0016491 GO:0042597 GO:0046872 GO:0047806 GO:0055114
170.060.3186.800.020.501w07B GO:0000062 GO:0001676 GO:0003995 GO:0003997 GO:0005777 GO:0005829 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0009055 GO:0009506 GO:0009611 GO:0009620 GO:0009695 GO:0016491 GO:0016627 GO:0033539 GO:0046686 GO:0050660 GO:0052890 GO:0055088 GO:0055114
180.060.3116.080.060.474ci0A GO:0008901 GO:0016151 GO:0016491 GO:0046872 GO:0050454 GO:0050660 GO:0051536 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0008901 GO:0042802 GO:0016151
GO-Score 0.07 0.07 0.07
Biological Processes GO:0051704 GO:0030154 GO:0043934 GO:0048646
GO-Score 0.45 0.41 0.41 0.41
Cellular Component GO:0005576 GO:0016021 GO:0020002 GO:0042597
GO-Score 0.13 0.13 0.13 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.