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I-TASSER results for job id Rv1995

[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 4 3v5xA FEO Rep, Mult 75,117,118,122,144,189,193
20.14 3 3ag4A CDL Rep, Mult 77,78,81,101,105,108,113,116
30.05 1 3rf3A III Rep, Mult 119,120,148,151
40.05 1 2p0nA MN Rep, Mult 75,117,123,193,198
50.05 1 2ibfA III Rep, Mult 100,101,103,104,107,108,111,114,115,151
60.05 1 2gwwA III Rep, Mult 36,40,102,103,106,109,110,113,176,179,187,190

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
10.0601qleC0.4533.450.0420.5531.9.3.1181
20.0602pfmA0.4814.650.0300.6824.3.2.2NA
30.0601qleA0.4795.650.0320.7801.9.3.1NA
40.0603bhgA0.4754.990.0620.6824.3.2.2NA
50.0601w27A0.5185.140.0400.7884.3.1.24203
60.0601m56A0.4595.110.0870.7061.9.3.1NA
70.0601yisA0.4744.870.0500.6864.3.2.2NA
80.0601yfeA0.4684.390.0400.6434.2.1.2NA
90.0601jswB0.4734.430.0530.6514.3.1.1NA
100.0601b8fA0.4345.710.0450.7224.3.1.3NA
110.0602occN0.5085.290.0710.7801.9.3.1153
120.0601h2aL0.4544.740.0380.6161.12.2.1NA
130.0601q5nA0.4705.130.0480.7025.5.1.2159
140.0601yrqI0.4514.930.0350.6271.12.2.164,66,78,80
150.0601occA0.5075.240.0710.7761.9.3.1189
160.0601tj7A0.4544.790.0360.6514.3.2.1NA
170.0602hvgA0.4834.920.0300.6904.3.2.2NA
180.0601i0aA0.4554.780.0600.6514.3.2.1NA
190.0601dcnB0.4495.150.0640.6714.3.2.1NA

(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
00.240.4595.110.090.711m56A 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
10.240.5075.240.070.781occA 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
20.220.5232.770.150.602p0nA GO:0046872
30.130.4563.400.030.561occC GO:0004129 GO:0005739 GO:0005743 GO:0008535 GO:0015002 GO:0016020 GO:0016021 GO:0019646 GO:0022904 GO:0045277 GO:1902600
40.100.5025.060.050.763o0rB 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
50.070.5255.260.050.802yevA 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
60.070.5025.430.040.793eh3A 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
70.070.5055.180.060.784xydA GO:0004129 GO:0005506 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0016491 GO:0016966 GO:0020037 GO:0055114 GO:0070469 GO:1902600
80.070.4795.650.030.781qleA 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
90.070.5155.640.040.811fftA 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
100.070.4535.210.060.701gk2A GO:0003824 GO:0004397 GO:0005737 GO:0006547 GO:0006548 GO:0016829 GO:0016841 GO:0019556 GO:0019557
110.070.4533.450.040.551qleC GO:0004129 GO:0005886 GO:0015002 GO:0016020 GO:0016021 GO:0016491 GO:0019646 GO:0022904 GO:0055114 GO:1902600
120.070.4503.440.050.551m56C GO:0004129 GO:0015002 GO:0016020 GO:0019646 GO:0022904 GO:1902600
130.060.4493.430.060.551fftC GO:0004129 GO:0005886 GO:0005887 GO:0008827 GO:0009055 GO:0009060 GO:0009319 GO:0009486 GO:0015002 GO:0015078 GO:0015453 GO:0015990 GO:0016020 GO:0016021 GO:0016491 GO:0019646 GO:0022904 GO:0055114
140.060.4065.890.040.671f88B GO:0000139 GO:0001750 GO:0001917 GO:0004871 GO:0004930 GO:0005085 GO:0005794 GO:0005886 GO:0005887 GO:0005911 GO:0006468 GO:0007165 GO:0007186 GO:0007601 GO:0007602 GO:0007603 GO:0008020 GO:0009416 GO:0009583 GO:0009881 GO:0016020 GO:0016021 GO:0016038 GO:0016056 GO:0018298 GO:0022400 GO:0042622 GO:0043547 GO:0045494 GO:0046872 GO:0050896 GO:0050953 GO:0060041 GO:0060342 GO:0071482 GO:0097381
150.060.4685.390.060.732o6yA GO:0003824 GO:0006572 GO:0009698 GO:0009699 GO:0016829 GO:0016841 GO:0042802 GO:0051289 GO:0052883
160.060.4565.250.060.713unvA GO:0003824
170.060.5215.020.040.784v2rB GO:0003824 GO:0005737 GO:0006558 GO:0006559 GO:0009698 GO:0009800 GO:0009820 GO:0009821 GO:0016829 GO:0016841 GO:0016853 GO:0016869 GO:0042617 GO:0045548 GO:0051289
180.060.5165.580.050.835djqA 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
190.060.4725.490.030.733czoB GO:0003824 GO:0004397 GO:0005737 GO:0009072 GO:0009698 GO:0009699 GO:0009800 GO:0016829 GO:0016841 GO:0045548 GO:0051289


Consensus prediction of GO terms
 
Molecular Function GO:0004129 GO:0020037 GO:0005506
GO-Score 0.55 0.48 0.48
Biological Processes GO:1902600 GO:0009060 GO:0006119
GO-Score 0.55 0.48 0.42
Cellular Component GO:0016021 GO:0045277 GO:0005743 GO:0005886
GO-Score 0.55 0.34 0.34 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.