[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv2237

[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 2zurX RH Rep, Mult 104,116
20.04 2 3ar3A PTY Rep, Mult 97,159,163,166,167
30.04 2 3arcJ III Rep, Mult 91,92
40.02 1 2voyK III Rep, Mult 92,96,99,100,107
50.02 1 3rqgC III Rep, Mult 116,120,123,126,127,130,155,158,159,162,166
60.02 1 1iw7P MG Rep, Mult 161,165
70.02 1 2q6qB CO Rep, Mult 149,153
80.02 1 3wu2h CLA Rep, Mult 92,96
90.02 1 4khoA CA Rep, Mult 146,149
100.02 1 3akbA CA Rep, Mult 125,128
110.02 1 3qbgB 22B Rep, Mult 67,71,74,88,90
120.02 1 1v51A ZN Rep, Mult 211,215
130.02 1 1bk5B CO Rep, Mult 52,102
140.02 1 4fzpB IUM Rep, Mult 59,62,124,128,131
150.02 1 3kkcA IMD Rep, Mult 34,37
160.02 1 3d1lA MPR Rep, Mult 119,138
170.02 1 1bjyA CTC Rep, Mult 217,221
180.02 1 2di3A ZN Rep, Mult 9,13,68,94
190.02 1 3fgoB CZA Rep, Mult 49,59,60,63,97,100,101,126
200.02 1 2agvA BHQ Rep, Mult 60,96,120,123,126,127

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
10.0601qleA0.4825.950.0400.8161.9.3.1NA
20.0602d0vA0.4255.530.0320.6821.1.99.8NA
30.0603b8eC0.5505.340.0660.8513.6.3.961,63,67,92
40.0601mhyD0.4325.680.0410.7101.14.13.25NA
50.0602g3mF0.4155.560.0620.6553.2.1.20NA
60.0601eulA0.5355.580.0610.8513.6.3.8NA
70.0603b8cB0.4425.280.0290.6633.6.3.6NA
80.0601fftA0.4755.980.0560.8081.10.3.-NA
90.0603b8eA0.5495.400.0660.8553.6.3.9NA
100.0602dkiA0.4405.280.0710.6671.14.13.23NA
110.0601xmeA0.4975.750.0560.8431.9.3.1199
120.0601rsrB0.4195.650.0520.6861.17.4.197
130.0603ffzA0.4256.300.0580.7693.4.24.69NA
140.0603f2bA0.4235.850.0440.6942.7.7.7NA
150.0603b8cA0.4425.280.0290.6633.6.3.6NA
160.0601mhyB0.4145.890.0870.6901.14.13.2597,100,104,193,195
170.0601fohC0.4275.000.0430.6241.14.13.7NA
180.0601occA0.4876.000.0400.8241.9.3.1NA
190.0603ixzA0.5445.350.0720.8433.6.3.10NA

(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
00.070.5225.400.040.803w5bA GO:0000166 GO:0005388 GO:0005509 GO:0005524 GO:0005783 GO:0005789 GO:0005793 GO:0006810 GO:0006811 GO:0006816 GO:0006942 GO:0016020 GO:0016021 GO:0016529 GO:0016787 GO:0031448 GO:0031673 GO:0031674 GO:0033017 GO:0045988 GO:0046872 GO:0048471 GO:0070588
10.070.4425.280.030.663b8cA GO:0000166 GO:0000287 GO:0005524 GO:0005886 GO:0005887 GO:0006754 GO:0006810 GO:0006811 GO:0008553 GO:0015991 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0046872 GO:0051453
20.070.4745.460.060.754bbjA GO:0000166 GO:0005886 GO:0006812 GO:0016020 GO:0016021 GO:0016787 GO:0019829 GO:0046872 GO:0098655
30.070.5495.400.070.853b8eA GO:0000166 GO:0002028 GO:0005391 GO:0005524 GO:0005886 GO:0005890 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0006883 GO:0010107 GO:0010248 GO:0015991 GO:0016020 GO:0016021 GO:0016787 GO:0030007 GO:0030955 GO:0031402 GO:0036376 GO:0042383 GO:0043231 GO:0046872 GO:0051117 GO:0086009 GO:0090662 GO:1990573
40.070.4565.300.050.704umvA GO:0000166 GO:0005886 GO:0006812 GO:0016020 GO:0016021 GO:0016787 GO:0019829 GO:0030001 GO:0046872 GO:0098655
50.070.5445.350.070.843ixzA GO:0000166 GO:0000287 GO:0005391 GO:0005524 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0006883 GO:0008900 GO:0010107 GO:0010248 GO:0015991 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0030007 GO:0036376 GO:0043231 GO:0046872
60.060.4206.070.050.743j09A GO:0000166 GO:0005507 GO:0005524 GO:0005886 GO:0006810 GO:0006811 GO:0006812 GO:0006825 GO:0016020 GO:0016021 GO:0016787 GO:0019829 GO:0030001 GO:0046872 GO:0098655
70.060.5185.650.040.841mhsA GO:0000166 GO:0005524 GO:0005886 GO:0005887 GO:0006754 GO:0006810 GO:0006811 GO:0008553 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0043231 GO:0046872 GO:0051453 GO:1902600
80.060.5235.700.060.843a3yA GO:0000166 GO:0005391 GO:0005524 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0010248 GO:0016020 GO:0016021 GO:0016787 GO:0046872 GO:0090662
90.060.3426.590.060.634ruwA GO:0004519 GO:0004527 GO:0046872 GO:0090305
100.060.2926.820.030.552p5oB GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
110.060.3225.970.030.562ayxA GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004871 GO:0005524 GO:0005622 GO:0005886 GO:0005887 GO:0006355 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014 GO:0044010 GO:0046777 GO:0071470
120.060.3176.280.040.554qx6D GO:0000166 GO:0006006 GO:0016491 GO:0016620 GO:0050661 GO:0051287 GO:0055114
130.060.2666.830.060.522f9yB GO:0000166 GO:0003677 GO:0003723 GO:0003729 GO:0003989 GO:0005524 GO:0005737 GO:0005829 GO:0006417 GO:0006629 GO:0006631 GO:0006633 GO:0008270 GO:0009317 GO:0009329 GO:0016874 GO:0017148 GO:0042759 GO:0046872 GO:2001295
140.060.3104.710.040.435ekqD GO:0009279 GO:0016020 GO:0043165 GO:0051205 GO:1990063
150.060.2956.080.050.511bg5A GO:0004364 GO:0016740
160.060.2256.530.040.401nrwA GO:0005737 GO:0016311 GO:0016787 GO:0016791 GO:0044283 GO:0046872
170.060.2694.590.040.374iwbA GO:0044780
180.060.2696.880.050.513gdeA GO:0000166 GO:0003677 GO:0003909 GO:0003910 GO:0005524 GO:0006260 GO:0006281 GO:0006310 GO:0006974 GO:0007049 GO:0016874 GO:0046872 GO:0051103 GO:0051301 GO:0071897


Consensus prediction of GO terms
 
Molecular Function GO:0043169 GO:0003824 GO:0032559 GO:0035639 GO:0032550
GO-Score 0.57 0.40 0.37 0.37 0.37
Biological Processes GO:0044765
GO-Score 0.37
Cellular Component GO:0071944 GO:0031224
GO-Score 0.47 0.46

(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.