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I-TASSER results for job id Rv1111c

[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
10.05 2 3f1fQ MG Rep, Mult 114,115,117
20.05 2 1fbmD RTL Rep, Mult 103,110
30.02 1 2j62A GSZ Rep, Mult 123,125
40.02 1 4g51C NO Rep, Mult 85,131
50.02 1 3prqX CLA Rep, Mult 80,87
60.02 1 2wscI CLA Rep, Mult 77,81
70.02 1 1s5lk CLA Rep, Mult 25,34
80.02 1 3ggdA CO Rep, Mult 160,180
90.02 1 3cmvE ANP Rep, Mult 239,240,241,242,287
100.02 1 4natB 2W5 Rep, Mult 137,140
110.02 1 2g18D CA Rep, Mult 263,270
120.02 1 1xzwB UUU Rep, Mult 212,215
130.02 1 4fe1F CLA Rep, Mult 111,112,115
140.02 1 3zvwC MG Rep, Mult 281,282
150.02 1 2ramB NUC Rep, Mult 305,312
160.02 1 4rb62 MG Rep, Mult 107,110
170.02 1 3k7tA GP7 Rep, Mult 22,23
180.02 1 3k71G UUU Rep, Mult 224,243,246
190.02 1 1i40A CA Rep, Mult 160,162

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
10.0603b9jJ0.2356.270.0180.3881.17.1.4,1.17.3.2250
20.0602epoB0.3786.680.0500.6513.2.1.52NA
30.0601fo4A0.3816.650.0310.6611.17.1.4NA
40.0601yr2A0.3986.590.0600.6733.4.21.2675
50.0602qr5A0.3836.610.0540.6643.4.19.1NA
60.0601yiqA0.4016.780.0430.6971.1.99.-NA
70.0601l5jA0.4026.350.0260.6674.2.1.3NA
80.0602epoA0.3916.600.0460.6573.2.1.52303
90.0603b9jC0.2876.940.0550.5011.17.3.2,1.17.1.4NA
100.0602tmdA0.3896.850.0480.6761.5.8.2NA
110.0601ja1A0.3936.830.0430.6881.6.2.4NA
120.0603dt7A0.3886.480.0320.6364.1.1.32NA
130.0601ox4B0.3966.540.0560.6614.1.3.-NA
140.0601bxrA0.3946.590.0310.6706.3.5.5NA
150.0602ow6A0.3897.120.0460.7063.2.1.114326
160.0601kv9A0.3946.690.0190.6731.1.99.-NA
170.0601orvA0.3866.790.0410.6703.4.14.5NA
180.0602gbcA0.3836.710.0340.6613.4.14.5,3.4.15.5NA
190.0602ckjA0.3796.590.0530.6511.17.1.4,1.17.3.2NA

(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
00.130.7594.040.050.964ft4B GO:0003677 GO:0003682 GO:0003886 GO:0005634 GO:0006351 GO:0006355 GO:0008168 GO:0016568 GO:0016740 GO:0032259 GO:0090116
10.080.6354.990.080.884wxxB GO:0000122 GO:0000792 GO:0003677 GO:0003682 GO:0003690 GO:0003723 GO:0003886 GO:0005634 GO:0005654 GO:0005657 GO:0005721 GO:0005737 GO:0006306 GO:0006351 GO:0006355 GO:0007265 GO:0007420 GO:0007568 GO:0008168 GO:0008270 GO:0008327 GO:0009008 GO:0009408 GO:0009636 GO:0010033 GO:0010212 GO:0010216 GO:0010288 GO:0010424 GO:0010468 GO:0010628 GO:0014823 GO:0016458 GO:0016568 GO:0016740 GO:0019904 GO:0030182 GO:0030331 GO:0031000 GO:0031667 GO:0032259 GO:0032355 GO:0032496 GO:0032776 GO:0033189 GO:0033574 GO:0036120 GO:0036276 GO:0042127 GO:0042493 GO:0042826 GO:0043025 GO:0043234 GO:0044026 GO:0045322 GO:0045471 GO:0045814 GO:0045892 GO:0046498 GO:0046499 GO:0046500 GO:0046872 GO:0051571 GO:0051573 GO:0051718 GO:0071230 GO:0071284 GO:0071560 GO:0090116 GO:0090309 GO:1990090 GO:1990841
20.070.6354.870.070.873swrA GO:0000122 GO:0000792 GO:0003677 GO:0003682 GO:0003690 GO:0003723 GO:0003886 GO:0005634 GO:0005654 GO:0005657 GO:0005721 GO:0005737 GO:0006306 GO:0006351 GO:0006355 GO:0007265 GO:0007420 GO:0007568 GO:0008168 GO:0008270 GO:0008327 GO:0009008 GO:0009408 GO:0009636 GO:0010033 GO:0010212 GO:0010216 GO:0010288 GO:0010424 GO:0010468 GO:0010628 GO:0014823 GO:0016458 GO:0016568 GO:0016740 GO:0019904 GO:0030182 GO:0030331 GO:0031000 GO:0031667 GO:0032259 GO:0032355 GO:0032496 GO:0032776 GO:0033189 GO:0033574 GO:0036120 GO:0036276 GO:0042127 GO:0042493 GO:0042826 GO:0043025 GO:0043234 GO:0044026 GO:0045322 GO:0045471 GO:0045814 GO:0045892 GO:0046498 GO:0046499 GO:0046500 GO:0046872 GO:0051571 GO:0051573 GO:0051718 GO:0071230 GO:0071284 GO:0071560 GO:0090116 GO:0090309 GO:1990090 GO:1990841
30.070.6315.120.080.893pt6B GO:0000122 GO:0000183 GO:0000792 GO:0003677 GO:0003682 GO:0003690 GO:0003723 GO:0003824 GO:0003886 GO:0005634 GO:0005654 GO:0005657 GO:0005721 GO:0005737 GO:0006306 GO:0006351 GO:0006355 GO:0007265 GO:0007420 GO:0007568 GO:0008152 GO:0008168 GO:0008270 GO:0008327 GO:0009008 GO:0009408 GO:0009636 GO:0010033 GO:0010212 GO:0010216 GO:0010288 GO:0010424 GO:0010468 GO:0010628 GO:0014823 GO:0016458 GO:0016568 GO:0016740 GO:0019904 GO:0030182 GO:0030331 GO:0031000 GO:0031667 GO:0032259 GO:0032355 GO:0032496 GO:0032776 GO:0033189 GO:0033574 GO:0036120 GO:0036276 GO:0042127 GO:0042493 GO:0042826 GO:0043025 GO:0043045 GO:0043234 GO:0044026 GO:0045322 GO:0045471 GO:0045892 GO:0046498 GO:0046499 GO:0046500 GO:0046872 GO:0051571 GO:0051573 GO:0051718 GO:0071230 GO:0071284 GO:0071560 GO:0090116 GO:0090309 GO:1990090 GO:1990841
40.070.4715.000.070.673g7uA GO:0003886 GO:0008168 GO:0009307 GO:0016740 GO:0032259 GO:0090116
50.060.3685.430.060.553ubtA GO:0003886 GO:0008168 GO:0009307 GO:0016740 GO:0032259 GO:0090116
60.060.3785.260.050.551svuA GO:0003886 GO:0008168 GO:0009307 GO:0016740 GO:0032259 GO:0090116
70.060.3815.070.050.544h0nA GO:0008168 GO:0032259 GO:0046872
80.060.3496.110.060.551g55A GO:0001975 GO:0003723 GO:0003886 GO:0005634 GO:0005654 GO:0005737 GO:0006400 GO:0008033 GO:0008168 GO:0008175 GO:0016428 GO:0016740 GO:0030488 GO:0032259 GO:0090116
90.060.3795.460.050.5610mhA GO:0003886 GO:0008168 GO:0009307 GO:0016740 GO:0032259 GO:0090116
100.060.3615.430.040.543me5A GO:0003886 GO:0008168 GO:0009307 GO:0016740 GO:0032259 GO:0090116
110.060.3096.950.050.552fiqA GO:0003824 GO:0019402 GO:0019404 GO:2001059
120.060.3126.650.030.543cghA GO:0046872
130.060.2926.990.030.535awvA GO:0003824 GO:0004497 GO:0016491 GO:0016614 GO:0016746 GO:0016757 GO:0050660 GO:0055114
140.060.6305.120.070.893av4A GO:0000122 GO:0000183 GO:0000792 GO:0003677 GO:0003682 GO:0003690 GO:0003723 GO:0003824 GO:0003886 GO:0005634 GO:0005654 GO:0005657 GO:0005721 GO:0005737 GO:0006306 GO:0006351 GO:0006355 GO:0007265 GO:0007420 GO:0007568 GO:0008152 GO:0008168 GO:0008270 GO:0008327 GO:0009008 GO:0009408 GO:0009636 GO:0010033 GO:0010212 GO:0010216 GO:0010288 GO:0010424 GO:0010468 GO:0010628 GO:0014823 GO:0016458 GO:0016568 GO:0016740 GO:0019904 GO:0030182 GO:0030331 GO:0031000 GO:0031667 GO:0032259 GO:0032355 GO:0032496 GO:0032776 GO:0033189 GO:0033574 GO:0036120 GO:0036276 GO:0042127 GO:0042493 GO:0042826 GO:0043025 GO:0043045 GO:0043234 GO:0044026 GO:0045322 GO:0045471 GO:0045892 GO:0046498 GO:0046499 GO:0046500 GO:0046872 GO:0051571 GO:0051573 GO:0051718 GO:0071230 GO:0071284 GO:0071560 GO:0090116 GO:0090309 GO:1990090 GO:1990841
150.060.2476.580.030.424r7oC GO:0006629 GO:0008081 GO:0008889 GO:0046872
160.060.2385.930.040.382r2aA GO:0016020 GO:0016021
170.060.2076.150.020.334bb7A GO:0000724 GO:0003682 GO:0005634 GO:0006276 GO:0006303 GO:0006337 GO:0006351 GO:0006355 GO:0006368 GO:0007059 GO:0007062 GO:0015616 GO:0016568 GO:0016586 GO:0030435 GO:0042173 GO:0043044 GO:0070914
180.060.1866.150.020.295hh7A GO:0000166 GO:0000808 GO:0003677 GO:0003682 GO:0005524 GO:0005634 GO:0006260 GO:0006351 GO:0006355 GO:0008270 GO:0009567 GO:0010385 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0019899 GO:0043565 GO:0000166 GO:0035258 GO:0046914 GO:0003886 GO:0003682
GO-Score 0.40 0.40 0.40 0.40 0.40 0.35 0.30
Biological Processes GO:0008283 GO:0042493 GO:0033993 GO:1901701 GO:0071229 GO:0071248 GO:0031062 GO:0006357 GO:0046128 GO:0071363 GO:0007417 GO:0033273 GO:1990089 GO:0090308 GO:0048513 GO:0051054 GO:0006950 GO:1901605 GO:0048699 GO:0071417 GO:0006732 GO:0060322 GO:0044030 GO:0043279 GO:0051570 GO:0009266 GO:0007264 GO:0036119 GO:0010288 GO:1901654 GO:0006790 GO:0043200 GO:0097305 GO:0031937 GO:0009314 GO:0051569 GO:0031061 GO:0002237 GO:0071559 GO:0014074 GO:0090116 GO:0016568
GO-Score 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.35 0.30
Cellular Component GO:0036477 GO:0044297 GO:0031981 GO:0000785 GO:0000775
GO-Score 0.40 0.40 0.40 0.40 0.40

(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.