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I-TASSER results for job id Rv2308

[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
10.06 3 2wxdM NAG Rep, Mult 16,20,182
20.06 3 4bntD 36E Rep, Mult 220,224
30.04 2 3fyeA DMU Rep, Mult 28,30,66,67,70,71,74
40.04 2 2v50D LMT Rep, Mult 232,235
50.04 2 3v8eA MG Rep, Mult 177,182,185
60.04 2 1ku7A NUC Rep, Mult 192,215,216,218,219,222
70.02 1 1n38A CH1 Rep, Mult 192,193,198,199,209
80.02 1 3zvwC MG Rep, Mult 165,166
90.02 1 2zalB ASP Rep, Mult 214,215,216
100.02 1 1l5yA BF2 Rep, Mult 228,231
110.02 1 4d26A MG Rep, Mult 23,183
120.02 1 3svlB FMN Rep, Mult 16,41
130.02 1 3uomD CA Rep, Mult 20,21
140.02 1 4ryqA MPG Rep, Mult 70,74,140
150.02 1 2wse4 CLA Rep, Mult 82,86
160.02 1 2o01L CLA Rep, Mult 209,213
170.02 1 3dtuC DXC Rep, Mult 71,74,75,78,81,85

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
10.0601aupA0.4065.780.0490.6981.4.1.2154
20.0603k9vA0.4195.660.0630.6851.14.13.-195
30.0601sj2A0.4296.360.0690.7981.11.1.6,1.11.1.7212
40.0601occA0.4435.460.0600.7101.9.3.120,186
50.0601ry2A0.4275.440.0570.6816.2.1.136
60.0602d1rA0.4275.640.0560.6931.13.12.7NA
70.0602f9qA0.4205.550.0580.6811.14.14.1194,195
80.0601e9xA0.4645.270.0710.7191.14.13.70192
90.0603cmmC0.4505.660.0530.7446.3.2.1971
100.0603k92A0.4375.830.0440.7441.4.1.215
110.0602cvtA0.4365.680.0800.7311.17.4.1NA
120.0602wghB0.4365.520.0590.7191.17.4.1NA
130.0601n1hA0.4465.610.0480.7482.7.7.4819,23,25
140.0603b98A0.4435.550.0390.7195.3.99.4140
150.0601hrdA0.4055.810.0430.6681.4.1.2NA
160.0601bgvA0.4196.020.0520.7311.4.1.2154
170.0601ofdA0.4285.760.0790.7351.4.7.1NA
180.0601fftA0.4275.760.0390.7101.10.3.-NA
190.0601kqfA0.3646.500.0450.6931.2.1.2NA

(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
00.390.8481.030.210.875af3A GO:0003677
10.070.4645.270.070.721e9xA GO:0004497 GO:0005506 GO:0005737 GO:0005829 GO:0006629 GO:0006694 GO:0008202 GO:0008398 GO:0016125 GO:0016126 GO:0016491 GO:0016705 GO:0020037 GO:0046872 GO:0055114 GO:0070988
20.070.4375.570.060.712iagA GO:0001516 GO:0004497 GO:0005506 GO:0005615 GO:0005634 GO:0005737 GO:0005783 GO:0005789 GO:0005901 GO:0006629 GO:0006631 GO:0006633 GO:0006690 GO:0006693 GO:0006769 GO:0007566 GO:0008116 GO:0016020 GO:0016021 GO:0016705 GO:0016853 GO:0019371 GO:0020037 GO:0032088 GO:0035360 GO:0045019 GO:0045766 GO:0046697 GO:0046872 GO:0050728 GO:0055114 GO:0071347 GO:0071354 GO:0071456 GO:0097190 GO:1900119
30.070.4435.550.040.723b98A GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0008116 GO:0016020 GO:0016705 GO:0016853 GO:0020037 GO:0046872 GO:0055114
40.070.4155.540.050.685e58C GO:0004497 GO:0005506 GO:0016491 GO:0016705 GO:0016712 GO:0020037 GO:0046872 GO:0055114
50.060.4295.570.060.713v8dA GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0006629 GO:0006699 GO:0006707 GO:0008123 GO:0008202 GO:0008203 GO:0016020 GO:0016125 GO:0016491 GO:0016705 GO:0020037 GO:0031090 GO:0042632 GO:0043231 GO:0046872 GO:0055114 GO:0070857 GO:0071333 GO:0071397
60.060.4135.670.050.693kw4A GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0016020 GO:0016491 GO:0016705 GO:0016712 GO:0020037 GO:0031090 GO:0043231 GO:0046872 GO:0055114 GO:0070330
70.060.4095.990.050.704j14A GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0006629 GO:0006699 GO:0006707 GO:0006805 GO:0007399 GO:0008202 GO:0008203 GO:0008395 GO:0016020 GO:0016021 GO:0016125 GO:0016491 GO:0016705 GO:0020037 GO:0031090 GO:0033781 GO:0043231 GO:0046872 GO:0055114
80.060.4095.860.050.701tqnA GO:0004497 GO:0005496 GO:0005506 GO:0005737 GO:0005783 GO:0005789 GO:0006629 GO:0006706 GO:0006805 GO:0008202 GO:0008209 GO:0008395 GO:0009822 GO:0016020 GO:0016021 GO:0016098 GO:0016491 GO:0016705 GO:0016712 GO:0017144 GO:0019825 GO:0019899 GO:0020037 GO:0030343 GO:0031090 GO:0033780 GO:0034875 GO:0036378 GO:0042359 GO:0042737 GO:0042738 GO:0043231 GO:0046483 GO:0046872 GO:0047638 GO:0050591 GO:0050649 GO:0055114 GO:0070330 GO:0070576 GO:0070989
90.060.4145.690.060.684nz2A GO:0001567 GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0006629 GO:0006805 GO:0008144 GO:0008202 GO:0008392 GO:0008395 GO:0016020 GO:0016098 GO:0016491 GO:0016705 GO:0017144 GO:0018675 GO:0018676 GO:0019373 GO:0019627 GO:0019825 GO:0020037 GO:0031090 GO:0032787 GO:0034875 GO:0042737 GO:0042738 GO:0043231 GO:0043603 GO:0046872 GO:0052741 GO:0055114 GO:0070989 GO:0097267
100.060.4145.600.060.694i91A GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0006805 GO:0008202 GO:0008392 GO:0008395 GO:0016020 GO:0016491 GO:0016705 GO:0016712 GO:0017144 GO:0019373 GO:0019825 GO:0020037 GO:0031090 GO:0042180 GO:0042738 GO:0043231 GO:0046872 GO:0055114
110.060.4115.850.080.712hi4A GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0006629 GO:0006706 GO:0006725 GO:0006778 GO:0006805 GO:0008202 GO:0009055 GO:0009403 GO:0009404 GO:0009791 GO:0009820 GO:0010033 GO:0010468 GO:0014070 GO:0016020 GO:0016098 GO:0016491 GO:0016705 GO:0016712 GO:0017144 GO:0018894 GO:0019373 GO:0019825 GO:0019899 GO:0020037 GO:0030324 GO:0031090 GO:0032259 GO:0032355 GO:0032451 GO:0032496 GO:0032787 GO:0034875 GO:0035902 GO:0042493 GO:0042737 GO:0042738 GO:0043231 GO:0045333 GO:0046483 GO:0046872 GO:0050665 GO:0055114 GO:0070330 GO:0070989 GO:0071276 GO:0071615 GO:0097267
120.060.4035.960.060.704bjkA GO:0004497 GO:0005506 GO:0008168 GO:0008398 GO:0016125 GO:0016491 GO:0016705 GO:0020037 GO:0032259 GO:0046872 GO:0055114 GO:0070988
130.060.4155.570.050.681z11A GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0005881 GO:0008202 GO:0008389 GO:0008392 GO:0008395 GO:0009804 GO:0016020 GO:0016491 GO:0016705 GO:0016712 GO:0017144 GO:0019373 GO:0019899 GO:0020037 GO:0031090 GO:0042738 GO:0043231 GO:0046226 GO:0046872 GO:0055114
140.060.4155.440.070.663dbgA GO:0004497 GO:0005506 GO:0005886 GO:0010333 GO:0016125 GO:0016491 GO:0016705 GO:0016829 GO:0020037 GO:0046872 GO:0055114
150.060.3935.740.080.663awmA GO:0005506 GO:0016705 GO:0020037 GO:0046872 GO:0055114
160.060.4115.720.070.704i8vA GO:0001666 GO:0001889 GO:0003824 GO:0004497 GO:0005506 GO:0005737 GO:0005739 GO:0005783 GO:0005789 GO:0006778 GO:0007568 GO:0008283 GO:0008395 GO:0009308 GO:0009404 GO:0009611 GO:0009615 GO:0009624 GO:0009635 GO:0009636 GO:0009692 GO:0009792 GO:0009804 GO:0009812 GO:0010033 GO:0010041 GO:0014070 GO:0016020 GO:0016491 GO:0016679 GO:0016705 GO:0016711 GO:0016712 GO:0017143 GO:0017144 GO:0018894 GO:0019341 GO:0019373 GO:0019825 GO:0019899 GO:0020037 GO:0031090 GO:0032094 GO:0032451 GO:0032496 GO:0032502 GO:0033189 GO:0035902 GO:0042359 GO:0042493 GO:0042904 GO:0043010 GO:0043231 GO:0046483 GO:0046677 GO:0046685 GO:0046872 GO:0048565 GO:0050665 GO:0055093 GO:0055114 GO:0060137 GO:0070330 GO:0070365 GO:0070576 GO:0070988 GO:0071407 GO:0097267 GO:1900087
170.060.4155.980.060.703juvA GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0005886 GO:0006629 GO:0006694 GO:0006695 GO:0008202 GO:0008203 GO:0008398 GO:0016020 GO:0016021 GO:0016125 GO:0016126 GO:0016491 GO:0016705 GO:0020037 GO:0031090 GO:0033488 GO:0043231 GO:0046872 GO:0055114 GO:0070988
180.060.3895.340.080.623nc6B GO:0004497 GO:0005506 GO:0005886 GO:0016125 GO:0016491 GO:0016705 GO:0016713 GO:0020037 GO:0046148 GO:0046872 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0046914 GO:0016491 GO:0046906 GO:0003677
GO-Score 0.47 0.47 0.47 0.39
Biological Processes GO:0044710
GO-Score 0.47
Cellular Component GO:0005789 GO:0005634 GO:0016021 GO:0005615 GO:0005829 GO:0005901
GO-Score 0.13 0.07 0.07 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.