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I-TASSER results for job id Rv2449c

[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
10.35 12 3abiA NAD Rep, Mult 16,18,19,40,41,45,65,66,67,86,87,88,91,93,111,112,113,141,142,143,144,189,190,193,366,370
20.09 4 2o4uX PO4 Rep, Mult 14,15,40,41,45
30.07 3 1dapB NDP Rep, Mult 14,16,17,18,19,40,41,42,86,87,111,113,140,141,142,143,144,366,370
40.02 1 1e5qA SHR Rep, Mult 91,112,113,143,170,171,172,189,230,244,246
50.02 1 2c4wA IMD Rep, Mult 141,142
60.02 1 3abiB SO4 Rep, Mult 81,105,106,107
70.02 1 3fl8A CA Rep, Mult 108,110

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
10.2781e5qA0.7952.790.1080.8881.5.1.1018,89,91,112
20.2003ijpB0.4534.640.1040.5781.3.1.2621
30.1281e5lA0.7653.250.1080.8851.5.1.10143
40.0672dc1A0.4533.930.1360.5461.4.1.21111
50.0603euwD0.4914.720.0880.6301.1.1.1897
60.0601i33C0.4814.570.0660.6111.2.1.12NA
70.0601cf2O0.4814.490.1090.6131.2.1.59,1.2.1.12NA
80.0602nqtA0.4754.820.1250.6181.2.1.3820
90.0601dapA0.5034.050.0710.6091.4.1.1614,28,88,376
100.0602o4uX0.4924.740.0710.6371.3.1.2017
110.0601ebfA0.4865.150.1010.6471.1.1.3NA
120.0602ixaA0.5284.900.0860.6873.2.1.4915,17,39,89,100
130.0602yyyB0.4844.510.1080.6181.2.1.59355
140.0603mtjA0.5105.020.1180.6611.1.1.3105
150.0602glxA0.4814.700.0860.6181.1.1.29215,116
160.0602ejwA0.4944.590.1230.6251.1.1.3NA
170.0602q49B0.4864.700.1060.6231.2.1.3814,111
180.0602yyyA0.4844.520.1040.6211.2.1.59NA
190.0602glxE0.4834.540.0870.6131.1.1.26339
200.0603idsC0.4824.550.0810.6111.2.1.1284
210.0602qz9A0.4874.210.1280.6011.2.1.11NA
220.0602axqA0.7383.870.1160.8851.5.1.10143
230.0602o48X0.4934.730.0710.6371.1.1.179,1.3.1.20NA

(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
00.330.7653.250.110.891e5lA GO:0004755 GO:0008652 GO:0009085 GO:0016491 GO:0019878 GO:0055114
10.310.7931.480.120.823abiA GO:0000166 GO:0016491 GO:0055114
20.310.7862.830.140.884inaB GO:0016491 GO:0055114
30.160.7962.740.120.894rl6A GO:0004754 GO:0016491 GO:0055114
40.130.7383.870.120.892axqA GO:0004755 GO:0008652 GO:0009085 GO:0016491 GO:0019878 GO:0055114
50.100.4323.670.120.511j5pA GO:0006742 GO:0009435 GO:0016491 GO:0016639 GO:0019363 GO:0033735 GO:0050661 GO:0051287 GO:0055114
60.070.4834.770.060.633db2A GO:0008152 GO:0016491 GO:0055114
70.060.4315.910.100.614g65A GO:0005886 GO:0006813 GO:0008324 GO:0015079 GO:0071805 GO:0098655
80.060.3774.020.120.461ulsB GO:0016491 GO:0055114
90.060.3236.950.030.542xvgA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246
100.060.3775.290.060.512plaA GO:0002027 GO:0004367 GO:0005737 GO:0005829 GO:0005886 GO:0005975 GO:0006072 GO:0006654 GO:0006734 GO:0009331 GO:0010765 GO:0016020 GO:0016491 GO:0016616 GO:0017080 GO:0019432 GO:0019674 GO:0033137 GO:0042803 GO:0044325 GO:0046168 GO:0051287 GO:0055114 GO:0060373 GO:0070062 GO:0086005 GO:0090038 GO:2000010 GO:2000649
110.060.3883.860.080.474pvcA GO:0003854 GO:0005634 GO:0005737 GO:0006694 GO:0008204 GO:0016491 GO:0016616 GO:0030447 GO:0043892 GO:0046568 GO:0055114
120.060.3853.860.100.464pvdC GO:0003854 GO:0005634 GO:0005737 GO:0006694 GO:0008204 GO:0016491 GO:0016616 GO:0030447 GO:0043892 GO:0046568 GO:0055114
130.060.3415.630.050.482hk7A GO:0004764 GO:0008652 GO:0009073 GO:0009423 GO:0016491 GO:0019632 GO:0050661 GO:0055114
140.060.3136.850.050.505e9hB GO:0003824 GO:0004451 GO:0005777 GO:0006097 GO:0006099 GO:0008152 GO:0009514 GO:0016829 GO:0019752 GO:0046421 GO:0046872
150.060.3114.910.110.401zejA GO:0003857 GO:0006631 GO:0016491 GO:0055114 GO:0070403
160.060.2685.390.050.372rarA GO:0005737 GO:0016311 GO:0016787 GO:0016791 GO:0044283 GO:0046872
170.060.2716.760.080.441gpjA GO:0006779 GO:0006782 GO:0008883 GO:0016491 GO:0033014 GO:0050661 GO:0055114
180.060.2583.800.100.311o4vA GO:0006164 GO:0006189 GO:0016853 GO:0034023


Consensus prediction of GO terms
 
Molecular Function GO:0004755 GO:0000166
GO-Score 0.42 0.31
Biological Processes GO:0055114 GO:0019878
GO-Score 0.77 0.42
Cellular Component
GO-Score

(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.