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I-TASSER results for job id Rv3425

[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
10.07 2 2g381 III Rep, Mult 2,13,14,16,17,18,19,22,23,26,29,30,32,33,36,37,39,40,43,44,47,51,55,63,70,73,81,84,88,95,152,153,156,160,163,164,166,167,169,170,172
20.06 2 4n7kL LDA Rep, Mult 29,30,88
30.06 2 1i4d0 III Rep, Mult 19,22,25,29,32,33,39,40,43,76,77,80,84,141,145,146,149,150,152,153,157,160,161
40.06 2 3r2lA FE Rep, Mult 37,74,77
50.06 2 1hjbA NUC Rep, Mult 69,70,73,74,76,77,80
60.06 2 4ll7A DY Rep, Mult 112,115
70.04 1 2g38B MN Rep, Mult 147,150,151
80.03 1 1y66B DIO Rep, Mult 149,152,156
90.03 1 3nozX PLL Rep, Mult 48,64,68,71
100.03 1 2vs0B ZN Rep, Mult 35,82
110.03 1 4zzbA XE Rep, Mult 108,138,141,142
120.03 1 2gdcA III Rep, Mult 11,17,20,22,23,26,29,81,152

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
10.0601f1oA0.4733.410.0560.6194.3.2.2NA
20.0602np0A0.4545.110.1000.7843.4.24.69NA
30.0602o6yA0.4804.320.0420.6934.3.1.-NA
40.0603g61A0.5684.720.0290.8753.6.3.44NA
50.0601j3uA0.5323.930.0460.7444.3.1.1NA
60.0603btaA0.5204.500.0540.8123.4.24.69107
70.0603i9wA0.6153.580.0230.8472.7.13.331,33,78
80.0601jswB0.4923.630.0480.6704.3.1.1NA
90.0602dq3A0.4803.390.0780.6536.1.1.11NA
100.0602pfdB0.4873.470.0540.6482.1.2.5,4.3.1.462
110.0602fenD0.5053.680.0690.6825.5.1.2NA
120.0602pfmA0.4843.610.0420.6424.3.2.2NA
130.0601c3cA0.4913.730.0420.6484.3.2.2NA
140.0601k7wD0.4913.710.0760.6594.3.2.141
150.0601i0aA0.4483.920.0800.6364.3.2.1NA
160.0601z0hB0.2475.800.0080.4553.4.24.69NA
170.0601y2mB0.4754.270.0560.7334.3.1.24NA
180.0601mhsA0.4834.810.0820.7443.6.3.6NA
190.0601eulA0.4574.980.0200.7333.6.3.8NA

(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
00.430.9191.390.330.984kxrB GO:0005576 GO:0009405 GO:0009986
10.230.7622.290.150.893j83A GO:0005576 GO:0009405 GO:0044315
20.230.5674.890.060.944wpeA GO:0000142 GO:0000144 GO:0000281 GO:0000917 GO:0005737 GO:0005856 GO:0005935 GO:0007049 GO:0007067 GO:0008092 GO:0044697 GO:0051301 GO:0090339
30.190.7053.560.100.984nqiD GO:0000281 GO:0000331 GO:0001891 GO:0005885 GO:0005905 GO:0006909 GO:0007009 GO:0009992 GO:0010324 GO:0031150 GO:0035091 GO:0042803 GO:0045335 GO:0046847 GO:0071476 GO:0072583
40.190.6204.280.090.972d1lA GO:0001701 GO:0002230 GO:0003779 GO:0003785 GO:0005102 GO:0005737 GO:0005856 GO:0005912 GO:0007009 GO:0007015 GO:0007399 GO:0007517 GO:0010960 GO:0015629 GO:0030036 GO:0030041 GO:0030282 GO:0032233 GO:0034334 GO:0042802 GO:0050680 GO:0051015 GO:0061333 GO:0071498 GO:0072001 GO:0072102 GO:0072160 GO:0098792 GO:2001013
50.190.7183.360.090.961y2oA GO:0001726 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005913 GO:0007009 GO:0007409 GO:0008022 GO:0008093 GO:0008286 GO:0008360 GO:0009617 GO:0014069 GO:0015629 GO:0016020 GO:0016358 GO:0030141 GO:0030165 GO:0030175 GO:0030838 GO:0032956 GO:0038096 GO:0042802 GO:0042995 GO:0043005 GO:0043025 GO:0043197 GO:0048010 GO:0048167 GO:0051017 GO:0051764 GO:0061003 GO:0070062 GO:0070064 GO:0097481 GO:0098609 GO:0098641 GO:2000251
60.150.7631.920.140.864xxxA GO:0005576 GO:0009405 GO:0044315
70.130.6903.530.080.945jdoA GO:0016020 GO:0016021
80.100.6993.520.060.962d4cB GO:0000139 GO:0002090 GO:0005737 GO:0005829 GO:0005886 GO:0006897 GO:0007018 GO:0007165 GO:0007417 GO:0008289 GO:0016020 GO:0019886 GO:0030669 GO:0042059 GO:0042802 GO:0048488 GO:0070062
90.100.5234.810.080.895c1fA GO:0001786 GO:0005547 GO:0005737 GO:0005826 GO:0005829 GO:0005856 GO:0007049 GO:0007067 GO:0051301 GO:0070273 GO:1903475
100.090.5424.930.070.942z0vA GO:0005737 GO:0005768 GO:0005769 GO:0006897 GO:0007165 GO:0007417 GO:0008289 GO:0016020 GO:0031901 GO:0042802 GO:0070062
110.090.6913.400.080.954iw0A GO:0000166 GO:0002218 GO:0002376 GO:0003676 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0006468 GO:0006954 GO:0007249 GO:0009615 GO:0010008 GO:0010629 GO:0016032 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0032480 GO:0032481 GO:0032606 GO:0032727 GO:0032728 GO:0033138 GO:0035666 GO:0043123 GO:0044565 GO:0045087 GO:0045359 GO:0045944 GO:0050830 GO:0051219 GO:0051607 GO:1901214 GO:1904417
120.090.6594.240.090.984iwoA GO:0000166 GO:0002218 GO:0002376 GO:0003676 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0006468 GO:0006954 GO:0007249 GO:0009615 GO:0010008 GO:0010629 GO:0016032 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0032480 GO:0032481 GO:0032606 GO:0032727 GO:0032728 GO:0033138 GO:0035666 GO:0043123 GO:0044565 GO:0045087 GO:0045359 GO:0045944 GO:0050830 GO:0051219 GO:0051607 GO:1901214 GO:1904417
130.080.6493.760.090.924kikB GO:0000166 GO:0002223 GO:0003009 GO:0004672 GO:0004674 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006468 GO:0006954 GO:0007249 GO:0007252 GO:0008284 GO:0008384 GO:0008385 GO:0009615 GO:0009636 GO:0009898 GO:0010803 GO:0010976 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0019901 GO:0030866 GO:0031175 GO:0032496 GO:0033209 GO:0035509 GO:0035631 GO:0035666 GO:0038095 GO:0042325 GO:0042493 GO:0042501 GO:0042803 GO:0043066 GO:0043123 GO:0043231 GO:0045087 GO:0045121 GO:0045893 GO:0045944 GO:0046982 GO:0050852 GO:0051092 GO:0051403 GO:0070423 GO:0070498 GO:0070542 GO:0071356 GO:0090002 GO:0097110 GO:1901216 GO:1903140 GO:1903347
140.070.6024.330.070.893qa8A GO:0004672 GO:0005524 GO:0005622 GO:0006468 GO:0007252 GO:0008384
150.070.4984.240.090.743qa8G GO:0004672 GO:0005524 GO:0005622 GO:0006468 GO:0007252 GO:0008384
160.060.4254.520.030.643hztA GO:0000166 GO:0004672 GO:0004674 GO:0005509 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0046872
170.060.3515.570.040.634btfA GO:0000166 GO:0004672 GO:0005524 GO:0005737 GO:0005886 GO:0006468 GO:0012501 GO:0016020 GO:0019901 GO:0032403 GO:0070207 GO:0070266
180.060.3424.910.060.554d9uA GO:0000166 GO:0000287 GO:0001501 GO:0002224 GO:0004672 GO:0004674 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006468 GO:0006915 GO:0007049 GO:0007165 GO:0007417 GO:0016301 GO:0016310 GO:0016740 GO:0019901 GO:0030307 GO:0032496 GO:0035556 GO:0043027 GO:0043066 GO:0043154 GO:0043555 GO:0043620 GO:0045597 GO:0045944 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0042802 GO:0005543 GO:0046983 GO:0032403
GO-Score 0.39 0.39 0.39 0.38
Biological Processes GO:0009405 GO:0009306 GO:0071806 GO:1902410 GO:0000280 GO:0090337 GO:0032232 GO:0090529 GO:0055082 GO:0006971 GO:0031154 GO:0030031 GO:0030104 GO:0006884 GO:0006898 GO:0071470 GO:0016236 GO:0043009 GO:0072080 GO:0051495 GO:0061333 GO:0032835 GO:0072507 GO:0034331 GO:0031214 GO:0050678 GO:0034332 GO:0061061 GO:0034405 GO:0008154 GO:0001503 GO:0035850 GO:0008285 GO:0050691 GO:0051258 GO:0044089 GO:0055065 GO:0007009
GO-Score 0.57 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.34
Cellular Component GO:0005576 GO:0032161 GO:0043234 GO:0005826 GO:0000399 GO:0005940 GO:0009986 GO:0098589 GO:0005773 GO:0044459 GO:0012505 GO:0030139 GO:0070161
GO-Score 0.57 0.46 0.46 0.46 0.46 0.46 0.43 0.39 0.39 0.39 0.39 0.39 0.38

(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.