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I-TASSER results for job id Rv2230c

[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
10.43 13 3wsdF FE Rep, Mult 64,99,103,337
20.32 11 2nydA ZN Rep, Mult 65,334,337
30.05 3 3wsfF CIT Rep, Mult 65,99,103,242,289,290,291,334,337
40.02 1 2c3oA SF4 Rep, Mult 277,279,280,281,282,283,305,327,328
50.02 1 1nmp1 III Rep, Mult 255,256,259,270,277

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
10.0603bicB0.3336.810.0500.5495.4.99.2NA
20.0603eifA0.3367.310.0350.5913.4.21.110NA
30.0601llwA0.3416.580.1020.5571.4.7.1NA
40.0602fknB0.3476.390.0560.5434.2.1.49NA
50.0601lpsA0.3307.130.0640.5703.1.1.395
60.0602w68C0.1775.130.0370.2483.2.1.18NA
70.0601ea0A0.3316.650.0810.5491.4.1.13NA
80.0601kitA0.3336.640.0290.5413.2.1.18NA
90.0601ogyI0.3406.740.0590.5591.7.99.499
100.0601n63B0.3276.940.0410.5511.2.99.2NA
110.0603ecqB0.3456.750.0380.5813.2.1.9713
120.0601uwkA0.3466.500.0600.5514.2.1.49292
130.0603cf4A0.3486.920.0480.5831.2.99.2111,129
140.0601jqkF0.3376.440.0220.5301.2.99.2296
150.0601nj8A0.3276.900.0260.5546.1.1.15NA
160.0601h4sA0.3287.050.0320.5676.1.1.15244
170.0601gz7C0.3257.400.0480.5993.1.1.362
180.0601k32A0.2837.420.0330.5073.4.21.-290
190.0602nyaA0.3306.670.0640.5461.7.99.4NA

(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
00.520.7142.450.270.783lnlA GO:0046872
10.470.7533.470.230.883lnlB GO:0046872
20.370.6511.630.230.682fywA GO:0046872
30.340.5962.030.190.641nmoA GO:0005829 GO:0006281 GO:0006974 GO:0010212 GO:0042802 GO:0046872
40.230.9320.840.330.942gx8C GO:0005737 GO:0046872
50.060.2546.640.070.412p1rA GO:0000166 GO:0000287 GO:0001727 GO:0005524 GO:0005737 GO:0006629 GO:0008654 GO:0016301 GO:0016310 GO:0016740 GO:0046834 GO:0046872
60.060.2767.370.030.493ohaA GO:0003677 GO:0003684 GO:0003887 GO:0005634 GO:0005657 GO:0005739 GO:0006260 GO:0006281 GO:0006974 GO:0007059 GO:0007064 GO:0016740 GO:0016779 GO:0042276 GO:0046872 GO:0070987 GO:0071897
70.060.2515.820.090.371llcA GO:0003824 GO:0004459 GO:0005737 GO:0005975 GO:0006096 GO:0016491 GO:0016616 GO:0019752 GO:0055114
80.060.2076.470.070.334jgtA GO:0001822 GO:0001889 GO:0004792 GO:0005737 GO:0005739 GO:0005829 GO:0009440 GO:0009636 GO:0016740 GO:0016784 GO:0019346 GO:0021510 GO:0030054 GO:0042802 GO:0043005 GO:0045202 GO:0070062 GO:0070814
90.060.2281.790.130.243gsdA GO:0005507 GO:0005737 GO:0010038 GO:0046872
100.060.2156.540.050.354haoB GO:0000166 GO:0003951 GO:0005524 GO:0005737 GO:0006741 GO:0008152 GO:0016301 GO:0016310 GO:0016740 GO:0019674 GO:0046872
110.060.2465.790.050.354if2A GO:0008270 GO:0009056 GO:0016787 GO:0016788 GO:0046872
120.060.2077.010.020.354e54B GO:0000209 GO:0000715 GO:0000717 GO:0003677 GO:0003684 GO:0004842 GO:0005634 GO:0005654 GO:0006281 GO:0006289 GO:0006290 GO:0006293 GO:0006294 GO:0006295 GO:0006296 GO:0006974 GO:0009411 GO:0016567 GO:0030054 GO:0031465 GO:0033683 GO:0035518 GO:0043234 GO:0051865 GO:0070911 GO:0070914 GO:0080008
130.060.2301.910.130.244y65B GO:0005507 GO:0005737 GO:0010038 GO:0046688 GO:0046872 GO:0051260
140.060.2135.120.050.293f4wA GO:0003824 GO:0004590 GO:0005975 GO:0006207 GO:0008152 GO:0016829 GO:0043801
150.060.1896.000.050.294f2nB GO:0004784 GO:0006801 GO:0016491 GO:0019430 GO:0046872 GO:0055114
160.060.1764.540.050.234rltA GO:0005886 GO:0019171 GO:0040007
170.060.1815.530.020.263gzxB GO:0003824 GO:0006725 GO:0016491 GO:0018687 GO:0019439 GO:0051213 GO:0055114
180.060.1994.810.080.272xhzB GO:0005975 GO:0009103 GO:0016853 GO:0019146 GO:0019294 GO:0030246 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0042802
GO-Score 0.92 0.34
Biological Processes GO:0006281 GO:0010212
GO-Score 0.34 0.34
Cellular Component GO:0005829
GO-Score 0.34

(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.