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

I-TASSER results for job id Rv2689c

[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 2 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
10.55 19 2vs1A SAH Rep, Mult 236,238,266,267,268,269,272,273,288,289,290,314,315,316,334,336
20.14 4 2bh2B NUC Rep, Mult 17,19,21,23,25,27,29,30,31,32,34,57,83,84,106,132,134,135,136,139,140,147,148,149,151,152,153,188,190,236,238,289,315,334,335,336,337,361,364,368,389,392,394,396
30.06 2 2bh2A SF4 Rep, Mult 75,83,85,86,89,147,158,160,161,162,163
40.05 2 3bt7A NUC Rep, Mult 132,134,136,138,148,149,150,161,188,189,190,199,200,201,234,236,238,239,334,335,337,361,394,396
50.02 1 3cjqG 2MM Rep, Mult 332,333,334,358,398

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
10.1923bt7B0.6852.630.1540.7562.1.1.35134,231,334
20.1792bh2A0.8522.260.1980.9232.1.1.-NA
30.0601lehA0.4095.840.0930.5831.4.1.9369
40.0602x38A0.4096.670.0420.6642.7.1.153360
50.0602rd0A0.3547.710.0350.6422.7.1.153251,377,383
60.0603ixzA0.4186.730.0470.6743.6.3.10NA
70.0602bf4A0.4316.080.0530.6391.6.2.4NA
80.0602o7qA0.4345.710.0630.6174.2.1.10,1.1.1.25NA
90.0603i58A0.4255.090.0920.5582.1.1.-NA
100.0601tllA0.4266.410.0750.6491.14.13.39NA
110.0602as0A0.5375.270.1020.7282.1.1.-NA
120.0603b8eA0.3566.650.0450.5733.6.3.9NA
130.0601o0sA0.4386.340.0730.6491.1.1.38NA
140.0601aupA0.3985.990.0660.5681.4.1.2NA
150.0601kywC0.4245.060.0700.5562.1.1.68NA
160.0601f20A0.3526.040.0320.5141.14.13.39340,359
170.0601v9lA0.4115.970.0600.5951.4.1.2NA
180.0603b8eC0.4256.830.0540.6993.6.3.9NA
190.0601hrdA0.4226.520.0690.6441.4.1.2100
200.0601eulA0.3947.000.0430.6493.6.3.8NA
210.0603bt7A0.6862.590.1540.7562.1.1.35NA

(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
00.410.8501.650.180.892vs1A GO:0003723 GO:0006396 GO:0008033 GO:0008168 GO:0008173 GO:0016740 GO:0030488 GO:0030697 GO:0032259 GO:0046872 GO:0051536 GO:0051539
10.350.8522.260.200.922bh2A GO:0003723 GO:0005506 GO:0006364 GO:0006396 GO:0008168 GO:0008173 GO:0016740 GO:0031167 GO:0032259 GO:0046872 GO:0051536 GO:0051539 GO:0070041 GO:0070475
20.160.5325.370.120.722cwwB GO:0005737 GO:0006364 GO:0008168 GO:0016740 GO:0032259
30.110.3692.800.150.412fhpA GO:0003676 GO:0008168 GO:0031167 GO:0032259
40.100.6862.590.150.763bt7A GO:0000049 GO:0005829 GO:0006396 GO:0008033 GO:0008168 GO:0008173 GO:0016740 GO:0019843 GO:0030488 GO:0030697 GO:0032259
50.070.4944.290.070.613ay0B GO:0005737 GO:0008033 GO:0008168 GO:0009019 GO:0016740 GO:0030488 GO:0032259 GO:0052906
60.070.3903.650.120.463gdhA GO:0000387 GO:0001510 GO:0005615 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0008168 GO:0008173 GO:0009452 GO:0015030 GO:0016740 GO:0022613 GO:0030532 GO:0032259 GO:0036261 GO:0044255 GO:0071164 GO:0071167
70.070.3712.480.160.413p9nA GO:0003676 GO:0008168 GO:0031167 GO:0032259
80.070.5465.160.120.724dmgA GO:0003723 GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
90.070.5445.380.070.743c0kA GO:0003723 GO:0005737 GO:0005829 GO:0006364 GO:0008168 GO:0008649 GO:0009383 GO:0016434 GO:0016740 GO:0031167 GO:0032259 GO:0044010 GO:0070475
100.070.5465.230.100.742as0A GO:0003723 GO:0008168 GO:0032259
110.060.4273.280.070.503a27A GO:0005737 GO:0006400 GO:0008033 GO:0016740 GO:0016765
120.060.4144.090.080.502zwvA GO:0000154 GO:0000179 GO:0003676 GO:0008168 GO:0008649 GO:0016740 GO:0031167 GO:0032259 GO:0046872 GO:0051536 GO:0051539
130.060.4204.650.100.532r3sA
140.060.4043.550.120.473cjtA GO:0005737 GO:0006479 GO:0008168 GO:0008276 GO:0016740 GO:0032259
150.060.3932.860.090.444qpnA GO:0005622 GO:0005737 GO:0008168 GO:0016740 GO:0032259
160.060.3852.760.090.431dusA GO:0008168 GO:0016740 GO:0032259
170.060.4062.840.090.453evzA GO:0008168 GO:0032259
180.060.3643.650.090.434necB GO:0008168 GO:0016740 GO:0032259


Consensus prediction of GO terms
 
Molecular Function GO:0051539 GO:0003723 GO:0030697 GO:0005506 GO:0070041
GO-Score 0.61 0.61 0.47 0.35 0.35
Biological Processes GO:0030488 GO:0070475
GO-Score 0.47 0.35
Cellular Component GO:0044424
GO-Score 0.33

(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.