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I-TASSER results for job id Rv3467

[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
10.14 9 2entA ZN Rep, Mult 226,231,241,242
20.06 4 3ph3B RB5 Rep, Mult 241,242
30.03 2 3ho8B COA Rep, Mult 242,243,244,245,246,248
40.03 2 1hloB NUC Rep, Mult 206,208,209
50.02 1 3cv1A CA Rep, Mult 212,215
60.02 1 2gagA FMN Rep, Mult 11,12,16,20,27
70.02 1 1z8qA OXY Rep, Mult 203,207
80.02 1 2gagA FOA Rep, Mult 246,250,251,252
90.02 1 3ho8D COA Rep, Mult 13,14,15
100.02 1 3cmvB MG Rep, Mult 75,84,143
110.02 1 3gl6A ZN Rep, Mult 226,231
120.02 1 3rrpA LMR Rep, Mult 85,88,90
130.02 1 2xt6A TPP Rep, Mult 58,60,116,120
140.02 1 3sucA ATP Rep, Mult 30,31,32,59,61
150.02 1 3cmvE ANP Rep, Mult 64,66,67,68,69
160.02 1 2xqsA CVM Rep, Mult 215,219
170.02 1 3cmvC ANP Rep, Mult 22,23,24,25,26,27,103
180.02 1 3a9qR CA Rep, Mult 208,212

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
10.0601y2mB0.3165.720.0700.4794.3.1.24176
20.0601ej6A0.3016.810.0440.5432.7.7.50111
30.0601t3qB0.3096.630.0740.5391.3.99.17NA
40.0603gtdA0.3085.810.0590.4704.2.1.2NA
50.0601j3uA0.3085.550.0560.4614.3.1.1NA
60.0602a4zA0.2956.190.0340.4642.7.1.153NA
70.0601yfmA0.3105.760.0830.4674.2.1.2NA
80.0602je8B0.3006.210.0470.4983.2.1.25NA
90.0602qf7B0.3406.600.0390.5846.4.1.1NA
100.0603b8eC0.3045.010.0470.4293.6.3.9NA
110.0602fknB0.2986.340.0460.5054.2.1.49108
120.0601mc0A0.2495.720.0060.3633.1.4.17152
130.0603no9A0.3185.690.0470.4764.2.1.2104
140.0603e04D0.3006.200.0520.4764.2.1.2NA
150.0602nztA0.3385.990.0560.5392.7.1.1NA
160.0601qhaA0.3386.070.0540.5362.7.1.1NA
170.0603ihyC0.3056.160.0740.4952.7.1.13721,123
180.0602x38A0.3006.170.0460.4862.7.1.15321
190.0602cseW0.3756.010.0400.5963.6.4.13NA

(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
00.150.7124.260.120.915gaoE GO:0000387 GO:0000398 GO:0000481 GO:0005634 GO:0005681 GO:0006397 GO:0008380 GO:0030529 GO:0045292 GO:0046540
10.060.3406.600.040.582qf7B GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
20.060.3356.330.030.554qslG GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
30.060.3006.560.040.522qf7A GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
40.060.3256.520.030.553bg5A GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
50.060.3296.650.030.574qslD GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
60.060.3346.000.030.544qslA GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
70.060.2846.680.030.505douD GO:0000050 GO:0000166 GO:0001889 GO:0003824 GO:0004070 GO:0004087 GO:0004088 GO:0004151 GO:0004175 GO:0005509 GO:0005524 GO:0005543 GO:0005634 GO:0005730 GO:0005737 GO:0005739 GO:0005743 GO:0005759 GO:0005980 GO:0006207 GO:0006508 GO:0006526 GO:0006541 GO:0006807 GO:0007494 GO:0008152 GO:0009636 GO:0010043 GO:0014075 GO:0016595 GO:0016874 GO:0019240 GO:0019433 GO:0032094 GO:0032403 GO:0032496 GO:0033762 GO:0034201 GO:0042493 GO:0042594 GO:0042645 GO:0043200 GO:0043234 GO:0044344 GO:0045909 GO:0046209 GO:0046872 GO:0048545 GO:0050667 GO:0051384 GO:0051591 GO:0055081 GO:0060416 GO:0070365 GO:0070409 GO:0071320 GO:0071377 GO:0071400 GO:0071548 GO:0072341
80.060.3166.320.040.524hnvB GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
90.060.2976.150.020.483ff6A GO:0000166 GO:0003824 GO:0003989 GO:0004075 GO:0005524 GO:0005634 GO:0005739 GO:0005741 GO:0005829 GO:0006084 GO:0006629 GO:0006631 GO:0006633 GO:0006768 GO:0006853 GO:0008152 GO:0010629 GO:0010884 GO:0010906 GO:0012505 GO:0016020 GO:0016874 GO:0031325 GO:0031667 GO:0031999 GO:0043086 GO:0046322 GO:0046872 GO:0050995 GO:0051289 GO:0060421 GO:0097009 GO:2001295
100.060.2816.890.030.503va7A GO:0000166 GO:0003824 GO:0004039 GO:0004075 GO:0004847 GO:0005524 GO:0005737 GO:0016874 GO:0043419 GO:0046872
110.060.2746.720.030.485csaA GO:0000166 GO:0003824 GO:0003989 GO:0004075 GO:0005524 GO:0005737 GO:0005783 GO:0005789 GO:0006606 GO:0006629 GO:0006631 GO:0006633 GO:0006998 GO:0008152 GO:0016020 GO:0016874 GO:0042759 GO:0046872 GO:2001295
120.060.2965.830.040.471uyrA GO:0000166 GO:0003824 GO:0003989 GO:0004075 GO:0005524 GO:0005737 GO:0005783 GO:0005789 GO:0006606 GO:0006629 GO:0006631 GO:0006633 GO:0006998 GO:0008152 GO:0016020 GO:0016874 GO:0042759 GO:0046872 GO:2001295
130.060.4106.060.040.663s4wB GO:0000793 GO:0005634 GO:0005730 GO:0005737 GO:0006281 GO:0006974 GO:0007049 GO:0007129 GO:0007275 GO:0007276 GO:0010332 GO:0034599 GO:0045589 GO:0048854 GO:0050727 GO:0051090 GO:0070182 GO:0097150 GO:2000348
140.060.3016.140.040.494wyoB GO:0000166 GO:0003824 GO:0003989 GO:0004075 GO:0005524 GO:0005737 GO:0005783 GO:0005789 GO:0006606 GO:0006629 GO:0006631 GO:0006633 GO:0006998 GO:0008152 GO:0016020 GO:0016874 GO:0042759 GO:0046872 GO:2001295
150.060.2856.950.050.523u9sA GO:0003824 GO:0004075 GO:0004485 GO:0005524 GO:0008300 GO:0046872 GO:1905202
160.060.2496.320.030.404rcnA GO:0003824 GO:0004075 GO:0005524 GO:0016874 GO:0046872
170.060.3456.590.060.595i6hB GO:0000166 GO:0003824 GO:0003989 GO:0004075 GO:0005524 GO:0006633 GO:0016874 GO:0046872
180.060.3236.420.030.544qshC GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0016885 GO:0003676 GO:0032550 GO:0019842 GO:0032559 GO:0035639 GO:0033293 GO:0043169 GO:0016879
GO-Score 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46
Biological Processes GO:0032787 GO:0006006 GO:0019319
GO-Score 0.46 0.46 0.46
Cellular Component GO:0005681 GO:0046540
GO-Score 0.15 0.15

(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.