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I-TASSER results for job id Rv2515c

[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 3 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
10.19 5 3gboA ZN Rep, Mult 239,243,247
20.11 3 3dtiA ZN Rep, Mult 239,240,243,268
30.04 1 1ee4A III Rep, Mult 241,242,243,291
40.04 1 5jubA III Rep, Mult 108,110,111,112,113,114,122,170,241,242,245,290,291,305,335,338,341,342,345,404,405
50.04 1 1kzuE BCL Rep, Mult 235,238
60.04 1 3hwlA AZI Rep, Mult 323,324
70.04 1 1qgk1 III Rep, Mult 41,42,44,45,46,77,78,82,146,147,155

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
10.0601nxcA0.3865.770.0320.5543.2.1.113NA
20.0602occN0.3756.620.0570.5951.9.3.147,50
30.0601clcA0.3875.610.0460.5423.2.1.4NA
40.0601lf6A0.4106.790.0520.6603.2.1.374
50.0601ayxA0.4335.720.0400.6363.2.1.3NA
60.0601ks8A0.3916.260.0630.5903.2.1.4NA
70.0602pziA0.4076.010.0640.6152.7.11.171,74
80.0601w3bB0.3734.910.0670.4962.4.1.-287,331,395
90.0601hcuB0.3865.640.0300.5473.2.1.113NA
100.0601w6jA0.4666.150.0420.7045.4.99.7NA
110.0602qnoA0.4405.920.0580.6483.2.1.4181,262
120.0602f6dA0.4335.610.0440.6293.2.1.3305
130.0602eabA0.4226.210.0330.6513.2.1.63NA
140.0601h54B0.3936.180.0590.5952.4.1.8318
150.0601ia7A0.3846.080.0580.5743.2.1.4NA
160.0602sqcA0.4466.350.0440.6925.4.99.17NA
170.0601fmiA0.4085.620.0540.5903.2.1.113NA
180.0603gzkA0.3896.130.0690.5813.2.1.4NA
190.0602drsA0.3945.990.0440.5833.2.1.156NA

(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
00.070.5093.800.060.612qfcA GO:0003677 GO:0043565
10.070.4974.940.040.674xdnA GO:0000790 GO:0005634 GO:0006302 GO:0007049 GO:0007059 GO:0007064 GO:0007067 GO:0007076 GO:0032116 GO:0051301 GO:0070550 GO:0071169
20.060.5084.970.060.675g05O GO:0005634 GO:0005654 GO:0005680 GO:0005829 GO:0007049 GO:0007067 GO:0016567 GO:0019903 GO:0031145 GO:0042787 GO:0043161 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0070979
30.060.5025.250.080.705c6gA GO:0000790 GO:0006302 GO:0007064 GO:0007076 GO:0032116 GO:0070550 GO:0071169
40.060.4455.200.050.594rykA GO:0003677 GO:0043565
50.060.2634.950.070.354houA GO:0002376 GO:0003723 GO:0005737 GO:0005829 GO:0009615 GO:0016032 GO:0019060 GO:0032091 GO:0043657 GO:0045070 GO:0045071 GO:0045087 GO:0050688 GO:0050689 GO:0051097 GO:0051607 GO:0060337 GO:0071357 GO:0071360
60.060.3125.730.060.461dceB GO:0003824 GO:0004659 GO:0004663 GO:0005968 GO:0008270 GO:0016740 GO:0017137 GO:0018344 GO:0046872
70.060.2766.780.050.441xl7B GO:0005102 GO:0005739 GO:0005777 GO:0006091 GO:0006629 GO:0006631 GO:0006635 GO:0006810 GO:0008458 GO:0009437 GO:0010243 GO:0015908 GO:0015936 GO:0016740 GO:0016746 GO:0042493 GO:0043231 GO:0051791
80.060.2476.620.080.403vylA GO:0046872
90.060.2236.460.050.353qxlA GO:0005085 GO:0005737 GO:0005886 GO:0007264 GO:0008321 GO:0016020 GO:0032485 GO:0035556 GO:0043547
100.060.2357.270.040.403j6b1 GO:0003735 GO:0005739 GO:0005762 GO:0005840 GO:0030529 GO:0032543
110.060.3015.440.100.434k92A GO:0000086 GO:0000226 GO:0000775 GO:0000776 GO:0000777 GO:0001578 GO:0002162 GO:0005694 GO:0005737 GO:0005794 GO:0005813 GO:0005815 GO:0005819 GO:0005828 GO:0005829 GO:0005856 GO:0005874 GO:0005876 GO:0005881 GO:0005925 GO:0005938 GO:0006903 GO:0007020 GO:0007026 GO:0007030 GO:0007049 GO:0007052 GO:0007062 GO:0007067 GO:0007163 GO:0008017 GO:0010458 GO:0010470 GO:0010634 GO:0010717 GO:0016020 GO:0030953 GO:0030981 GO:0031023 GO:0031111 GO:0031116 GO:0031592 GO:0034453 GO:0035371 GO:0040001 GO:0043515 GO:0045180 GO:0045921 GO:0051010 GO:0051294 GO:0051301 GO:0051497 GO:0051893 GO:0070062 GO:0070507 GO:0090091 GO:0090162 GO:0090307 GO:1903690 GO:1904261
120.060.2445.630.040.352jc4A GO:0003677 GO:0004518 GO:0004519 GO:0005622 GO:0006281 GO:0008853 GO:0016787 GO:0090305
130.060.2356.920.040.392x4gA GO:0003824 GO:0050662
140.060.2554.920.030.344leuA GO:0008270 GO:0009507
150.060.2025.090.050.272ze5A GO:0004161 GO:0009058 GO:0009691 GO:0009824 GO:0016740
160.060.2365.160.040.332jqqA GO:0000139 GO:0000301 GO:0005794 GO:0006810 GO:0006888 GO:0006891 GO:0015031 GO:0016020 GO:0016236 GO:0017119 GO:0019898 GO:0030242 GO:0032258
170.060.1675.550.060.241juvA GO:0004146 GO:0006545 GO:0006730 GO:0009165 GO:0016491 GO:0031427 GO:0046654 GO:0046677 GO:0050661 GO:0055114
180.060.1985.730.070.293lncA GO:0000166 GO:0004385 GO:0005524 GO:0005737 GO:0006163 GO:0016301 GO:0016310 GO:0016740 GO:0046037 GO:0046710


Consensus prediction of GO terms
 
Molecular Function GO:0043565 GO:0019903
GO-Score 0.13 0.07
Biological Processes GO:0051301 GO:0006302 GO:0007064 GO:0071169 GO:0007076 GO:0070550 GO:0031145 GO:0051437 GO:0051436 GO:0070979
GO-Score 0.13 0.13 0.13 0.13 0.13 0.13 0.07 0.07 0.07 0.07
Cellular Component GO:0000790 GO:0032116 GO:0005654 GO:0005680 GO:0005829
GO-Score 0.13 0.13 0.07 0.07 0.07

(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.