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I-TASSER results for job id Rv1179c

[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 4 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
10.27 15 3tmiA BEF Rep, Mult 48,162,163
20.17 9 5jc7A ADP Rep, Mult 17,20,43,45,47,48,50,80
30.02 1 1rifB MG Rep, Mult 19,43,46
40.02 1 4a36A UUU Rep, Mult 15,17,20,44,45,47,48,49,50,163,193,548,550,571,575,578
50.02 1 3shfA GBL Rep, Mult 348,349,363,377

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
10.0602vz8B0.2659.850.0470.4562.3.1.85NA
20.0603btaA0.2858.990.0270.4523.4.24.69NA
30.0603gpbA0.2399.200.0290.3952.4.1.157
40.0602db3A0.2814.670.0810.3283.6.4.13168
50.0603i62A0.2854.940.0610.3373.6.4.1349
60.0601hn0A0.2759.130.0300.4464.2.2.20NA
70.0601fa9A0.2628.080.0430.3872.4.1.1NA
80.0602vz8A0.2889.300.0410.4752.3.1.85NA
90.0601z0hB0.1697.750.0460.2473.4.24.69NA
100.0601ej6A0.2848.900.0350.4482.7.7.50161
110.0601gl9B0.3818.280.0730.5615.99.1.3NA
120.0601e1yA0.2298.680.0500.3592.4.1.1NA
130.0602qllA0.2628.060.0450.3882.4.1.157
140.0601ug9A0.2669.470.0280.4453.2.1.70NA
150.0603h0gA0.2749.000.0550.4322.7.7.6NA
160.0602vuaA0.1707.140.0410.2363.4.24.69198,210
170.0601uaaA0.2725.870.0790.3443.6.4.12NA
180.0602gv9B0.2699.200.0290.4392.7.7.7NA
190.0603eqlM0.2449.500.0430.4082.7.7.624,54

(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
00.160.8034.000.110.905ffjB GO:0000166 GO:0003676 GO:0003677 GO:0004518 GO:0004519 GO:0005524 GO:0006306 GO:0008168 GO:0008170 GO:0016787 GO:0032259 GO:0090305
10.160.2855.640.100.351wp9A GO:0000166 GO:0003676 GO:0003677 GO:0004386 GO:0004518 GO:0005524 GO:0006259 GO:0006281 GO:0046872 GO:0090305
20.080.6604.180.110.755ffjA GO:0000166 GO:0003676 GO:0003677 GO:0004518 GO:0004519 GO:0005524 GO:0006306 GO:0008168 GO:0008170 GO:0016787 GO:0032259 GO:0090305
30.070.2108.550.040.323mwyW GO:0000124 GO:0000166 GO:0000182 GO:0000790 GO:0001178 GO:0003677 GO:0004386 GO:0005524 GO:0005634 GO:0006351 GO:0006355 GO:0006363 GO:0006368 GO:0006369 GO:0008094 GO:0016568 GO:0016584 GO:0016787 GO:0030874 GO:0031490 GO:0034728 GO:0035064 GO:0042766 GO:0043044 GO:0044212 GO:0046695 GO:0060303 GO:0070615 GO:0071441 GO:0071894 GO:1900050 GO:1902275 GO:2000104 GO:2000616
40.060.3105.180.100.374a36A GO:0000166 GO:0003677 GO:0005524 GO:0005737 GO:0016787 GO:0016817 GO:0046872
50.060.2925.190.130.351d2mA GO:0000166 GO:0003677 GO:0004386 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0009381 GO:0009432 GO:0016787 GO:0090305
60.060.2935.230.110.351t5lA GO:0000166 GO:0003677 GO:0004386 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0009381 GO:0009432 GO:0016787 GO:0090305
70.060.2885.210.140.351c4oA GO:0000166 GO:0003677 GO:0004386 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0009381 GO:0009432 GO:0016787 GO:0090305
80.060.2845.240.050.343ufbA GO:0003676 GO:0003677 GO:0006306 GO:0008168 GO:0008170 GO:0016740 GO:0032259
90.060.2765.650.080.343crvA GO:0000166 GO:0003676 GO:0003677 GO:0004003 GO:0004386 GO:0005524 GO:0006139 GO:0006281 GO:0006351 GO:0006974 GO:0008026 GO:0016787 GO:0016818 GO:0032508 GO:0043139 GO:0046872 GO:0051536 GO:0051539
100.060.2895.370.090.352d7dA GO:0000166 GO:0003677 GO:0004386 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0009381 GO:0009432 GO:0016787 GO:0090305
110.060.2845.220.110.342fdcA GO:0000166 GO:0003677 GO:0004386 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0009381 GO:0009432 GO:0016787 GO:0090305
120.060.2684.780.120.313h1tA GO:0000166 GO:0003677 GO:0003824 GO:0005524 GO:0006304 GO:0016787
130.060.2816.100.090.362wjyA GO:0000166 GO:0000184 GO:0000294 GO:0000723 GO:0000784 GO:0000785 GO:0000932 GO:0000956 GO:0003677 GO:0003682 GO:0003723 GO:0004004 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006260 GO:0006281 GO:0006406 GO:0006449 GO:0008270 GO:0009048 GO:0016787 GO:0032201 GO:0035145 GO:0042162 GO:0044530 GO:0044822 GO:0046872 GO:0061014 GO:0061158 GO:0071044 GO:0071222 GO:0071347
140.060.2324.730.100.274kbfA GO:0000166 GO:0003676 GO:0004386 GO:0005524 GO:0016787
150.060.2168.670.040.343abzA GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0008422 GO:0016787 GO:0016798 GO:0030245 GO:0102483
160.060.2706.000.090.342xzlA GO:0000166 GO:0000184 GO:0000956 GO:0003677 GO:0004004 GO:0004386 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005844 GO:0006310 GO:0006449 GO:0006452 GO:0008270 GO:0008298 GO:0016567 GO:0016787 GO:0016887 GO:0030466 GO:0043024 GO:0046872 GO:0070478
170.060.1946.260.070.252ocaA GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0016787
180.060.1916.960.050.264rxoD GO:0002376 GO:0003676 GO:0003723 GO:0003824 GO:0005622 GO:0005634 GO:0005654 GO:0005886 GO:0006203 GO:0006955 GO:0008152 GO:0008270 GO:0008832 GO:0016787 GO:0032567 GO:0045087 GO:0045088 GO:0046061 GO:0046872 GO:0051289 GO:0051607 GO:0060337


Consensus prediction of GO terms
 
Molecular Function GO:0016741 GO:0003677 GO:0005524 GO:0017111 GO:0043169 GO:0004518
GO-Score 0.46 0.43 0.43 0.43 0.42 0.35
Biological Processes GO:0044728 GO:0006305 GO:0043414 GO:0090305 GO:0006974
GO-Score 0.46 0.46 0.46 0.35 0.32
Cellular Component GO:0030874 GO:0046695 GO:0000124 GO:0005737
GO-Score 0.07 0.07 0.07 0.06

(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.