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I-TASSER results for job id Rv2135c

[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
10.49 56 3db1C PO4 Rep, Mult 7,8,11,57,81,152,153
20.15 33 3gp3C SEP Rep, Mult 7,14,19,20,21,81,84,92,154
30.15 23 2h4zA DG2 Rep, Mult 7,8,19,20,21,57,81,84,92,152,153,154
40.11 22 2bifA F6P Rep, Mult 19,20,81,92,104,108,119,153,157,210
50.07 13 1riiB GOL Rep, Mult 8,11,14,20,57,81,152
60.03 7 1qhfA 3PG Rep, Mult 7,8,9,10,11,14,20,57,178
70.02 5 1bq3A IHP Rep, Mult 7,8,10,11,13,14,18,19,20,84,92,175
80.01 3 3gw8B VO4 Rep, Mult 84,92,105,106,154
90.01 2 2qni0 III Rep, Mult 11,84,90,92,113,114
100.00 1 3lg2A PO4 Rep, Mult 154,157
110.00 1 1yfk0 III Rep, Mult 46,47,48,54,56,59,60,63,69,70,71,73,75,146
120.00 1 3lg2C PO4 Rep, Mult 226,227
130.00 1 5pgmE ALA Rep, Mult 205,207,208
140.00 1 1h2fA PO4 Rep, Mult 2,139,140,146

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
10.5461qhfA0.7562.710.1750.8735.4.2.18,57,81,152
20.5282a6pA0.7302.050.2380.8015.4.2.18,57,81,152
30.5171riiA0.7562.720.2030.8735.4.2.18,57,81,152
40.5131yjxA0.7582.610.1790.8733.1.3.13,5.4.2.1,5.4.2.48,57,81,152
50.4993e9cA0.6112.090.2140.6613.1.3.4657,81,152
60.1972h4xA0.7732.860.1730.8903.1.3.13,5.4.2.4,5.4.2.18,57,81,152
70.1903e9dA0.7572.270.2110.8313.1.3.468,57,81,152
80.1873gp5A0.7732.730.1970.8865.4.2.18,57,81,152
90.1701fztA0.7342.310.1990.8315.4.2.18,57,81,152
100.1263eozA0.5202.910.1550.6025.4.2.157,81,152
110.1111c7zA0.7191.950.1770.7882.7.1.105,3.1.3.467,8,14,57,81,152
120.0601b7bA0.4585.490.0460.7372.7.2.2NA
130.0601dkmA0.5944.550.1210.8053.1.3.26,3.1.3.210,57
140.0601dkpA0.5944.590.1210.8093.1.3.2,3.1.3.2657,152
150.0601nd6B0.5954.430.0980.8183.1.3.210,57
160.0601k6mA0.7542.330.1630.8432.7.1.105,3.1.3.46154
170.0603dcyA0.7372.260.1860.8093.1.3.46182
180.0602p30A0.6692.300.2540.7423.1.3.737,19,56
190.0601rptA0.5944.480.0940.8143.1.3.257
200.0603eozB0.5513.630.1620.6825.4.2.1153
210.0602dwoA0.7532.110.1570.8312.7.1.105,3.1.3.46NA
220.0602wnhA0.5954.370.1440.8053.1.3.8NA
230.0601bouB0.4525.000.0670.6611.13.11.8NA
240.0602e9yA0.4625.470.0760.7202.7.2.2NA

(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
00.530.7732.730.200.893gp5A GO:0003824 GO:0004619 GO:0006094 GO:0006096 GO:0008152 GO:0016853 GO:0016868 GO:0046538
10.520.8141.440.230.861h2eA
20.510.7522.350.190.841bifA GO:0000166 GO:0003824 GO:0003873 GO:0004331 GO:0005524 GO:0006000 GO:0006003 GO:0008152 GO:0016301 GO:0016310 GO:0016311 GO:0016740 GO:0016787 GO:0046835
30.480.7482.750.190.853lg2A GO:0005634 GO:0005737 GO:0005829 GO:0005975 GO:0016311 GO:0016491 GO:0016787 GO:0042254 GO:0046390 GO:0050278 GO:0055114
40.480.8690.730.280.884ij5A GO:0004647 GO:0006564 GO:0008652 GO:0016311 GO:0016787
50.440.7542.330.160.841k6mA GO:0000166 GO:0003824 GO:0003873 GO:0004331 GO:0005524 GO:0005829 GO:0006000 GO:0006003 GO:0006094 GO:0006096 GO:0008152 GO:0016301 GO:0016310 GO:0016311 GO:0016740 GO:0016787 GO:0019900 GO:0031100 GO:0032868 GO:0033133 GO:0033762 GO:0042594 GO:0042802 GO:0043540 GO:0046835 GO:0051384 GO:0051591 GO:0061621 GO:0070095
60.420.6692.300.250.742p30A GO:0003824 GO:0008152
70.410.7572.270.210.833e9dA GO:0003824 GO:0004083 GO:0004331 GO:0005634 GO:0005737 GO:0005739 GO:0005741 GO:0005829 GO:0006003 GO:0006914 GO:0006915 GO:0008152 GO:0016311 GO:0016787 GO:0030388
80.390.7542.120.150.832axnA GO:0000166 GO:0003824 GO:0003873 GO:0004331 GO:0005524 GO:0005654 GO:0005829 GO:0006000 GO:0006003 GO:0007420 GO:0008152 GO:0016301 GO:0016310 GO:0016311 GO:0016740 GO:0016787 GO:0046835 GO:0061621
90.390.6112.090.210.663e9cA GO:0003824 GO:0004083 GO:0004331 GO:0005634 GO:0005737 GO:0005739 GO:0005741 GO:0005829 GO:0006003 GO:0006914 GO:0006915 GO:0008152 GO:0016311 GO:0016787 GO:0030388
100.370.7382.060.210.823hjgA GO:0009236 GO:0016311 GO:0043755
110.360.7762.100.200.854pzaB GO:0003824 GO:0008152 GO:0016311 GO:0016787 GO:0050531
120.340.7662.270.180.843dcyA GO:0002931 GO:0003824 GO:0004083 GO:0004331 GO:0005622 GO:0005634 GO:0005737 GO:0005739 GO:0005741 GO:0005829 GO:0006003 GO:0006914 GO:0006915 GO:0006974 GO:0008152 GO:0009410 GO:0010332 GO:0010666 GO:0016311 GO:0016787 GO:0030388 GO:0043069 GO:0043456 GO:0045739 GO:0045820 GO:0060576 GO:0071279 GO:0071456 GO:1901215 GO:1901525 GO:1902153 GO:1903301 GO:1904024 GO:2000378
130.330.7342.310.200.831fztA GO:0003824 GO:0004619 GO:0005634 GO:0005829 GO:0006094 GO:0006096 GO:0008152 GO:0016853 GO:0016868 GO:0043456 GO:0046538 GO:0061621
140.330.7732.860.170.892h4xA GO:0003824 GO:0004082 GO:0004083 GO:0004619 GO:0005829 GO:0005975 GO:0006006 GO:0006094 GO:0006096 GO:0007585 GO:0008152 GO:0016311 GO:0016787 GO:0016853 GO:0016868 GO:0043456 GO:0046538 GO:0070062
150.330.7512.760.170.871xq9A GO:0003824 GO:0004619 GO:0005829 GO:0006094 GO:0006096 GO:0008152 GO:0016853 GO:0016868 GO:0043456 GO:0046538
160.320.7632.490.210.853r7aB GO:0004619 GO:0006096
170.320.7552.690.200.874eo9A GO:0003824 GO:0004619 GO:0006094 GO:0006096 GO:0008152 GO:0016853 GO:0016868 GO:0046538
180.320.7442.290.160.843d8hB GO:0003824 GO:0004619 GO:0006096 GO:0008152 GO:0016853 GO:0016868
190.320.7562.710.170.871qhfA GO:0003824 GO:0004619 GO:0005737 GO:0005739 GO:0005741 GO:0005758 GO:0005829 GO:0006094 GO:0006096 GO:0008152 GO:0016020 GO:0016853 GO:0016868 GO:0043456 GO:0046538
200.310.7602.940.200.881e58A GO:0003824 GO:0004619 GO:0005737 GO:0005829 GO:0006094 GO:0006096 GO:0008152 GO:0016853 GO:0016868 GO:0043456 GO:0046538
210.310.7302.050.240.802a6pA
220.310.7672.570.160.884embA GO:0003824 GO:0004619 GO:0006094 GO:0006096 GO:0008152 GO:0016853 GO:0016868 GO:0046538
230.300.7562.720.200.871riiA GO:0003824 GO:0004619 GO:0005829 GO:0005886 GO:0006094 GO:0006096 GO:0008152 GO:0016853 GO:0016868 GO:0043456 GO:0046538
240.270.7502.860.170.874odiA GO:0003824 GO:0004082 GO:0004619 GO:0006096 GO:0008152 GO:0016853 GO:0016868
250.210.6853.080.150.802yn2A GO:0016311 GO:0016791


Consensus prediction of GO terms
 
Molecular Function GO:0046538 GO:0003873 GO:0005524 GO:0004331 GO:0050278 GO:0016491 GO:0004647
GO-Score 0.53 0.51 0.51 0.51 0.48 0.48 0.48
Biological Processes GO:0016311 GO:0006094 GO:0006096 GO:0046835 GO:0006003 GO:0006000 GO:0042254 GO:0046390 GO:0055114 GO:0006564
GO-Score 0.87 0.53 0.53 0.51 0.51 0.51 0.48 0.48 0.48 0.48
Cellular Component GO:0005829 GO:0005634
GO-Score 0.48 0.48

(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.