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

I-TASSER results for job id Rv2032

[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
10.43 12 3gh8A FMN Rep, Mult 120,121,122,124,270,271,272,273,316
20.07 3 1v5yA FMN Rep, Mult 22,23,24,26
30.05 2 2onmC NA Rep, Mult 14,15,20,68,117
40.02 1 3rj8A ZN Rep, Mult 69,223
50.02 1 3gh8C UUU Rep, Mult 120,121,122,124,170,174,186,189,222,226,270,271,272,273,316
60.02 1 1nzxB NAD Rep, Mult 11,12,14,70,71,74,75,98,100

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
10.0601nx9A0.3236.650.0180.5623.1.1.43295
20.0601o01C0.3146.670.0500.5321.2.1.3NA
30.0601lgrA0.3335.920.0370.5146.3.1.2209
40.0601gz7A0.3217.080.0450.5893.1.1.3NA
50.0601fziA0.3306.160.0140.5321.14.13.25NA
60.0601zumI0.3026.950.0320.5351.2.1.3NA
70.0601gnxA0.3306.900.0490.5713.2.1.21NA
80.0601htoA0.3096.840.0400.5386.3.1.2NA
90.0601ffuB0.3057.100.0460.5531.2.99.2NA
100.0601nj6A0.3315.400.0310.4686.1.1.15140,253
110.0601h1lB0.3186.890.0520.5591.18.6.1NA
120.0601v5yA0.4183.100.0930.4861.6.99.-NA
130.0602qnoA0.3186.730.0340.5443.2.1.4NA
140.0601kc7A0.3236.710.0350.5592.7.9.1NA
150.0602lgsA0.3336.060.0370.5206.3.1.262,69
160.0601lpsA0.3147.350.0460.5893.1.1.322
170.0601pl7A0.3227.100.0330.5801.1.1.14NA
180.0601kblA0.3276.450.0360.5442.7.9.1NA
190.0601qh1B0.3256.720.0470.5591.18.6.1NA

(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
00.220.4522.970.140.513gfaA GO:0000166 GO:0016491 GO:0055114
10.210.4133.200.190.473e39A GO:0000166 GO:0016491 GO:0055114
20.190.4113.400.140.491ds7A GO:0004155 GO:0005829 GO:0010181 GO:0016020 GO:0016491 GO:0018545 GO:0042802 GO:0046256 GO:0055114
30.190.4102.880.140.473m5kA GO:0000166 GO:0016491 GO:0055114
40.190.4103.330.160.481kqbA GO:0016491 GO:0055114
50.180.4553.450.160.533eo8A GO:0000166 GO:0016491 GO:0055114
60.170.4783.460.120.574ttcA GO:0004447 GO:0005886 GO:0006590 GO:0016020 GO:0016021 GO:0016491 GO:0055114 GO:0098869
70.160.4813.420.110.573tnzA GO:0004447 GO:0016020 GO:0016021 GO:0016491 GO:0055114 GO:0098869
80.120.4343.140.130.504ttbA GO:0004447 GO:0005886 GO:0006590 GO:0016020 GO:0016021 GO:0016491 GO:0055114 GO:0098869
90.110.4412.940.160.504dn2A GO:0000166 GO:0016491 GO:0055114
100.110.4773.720.150.582wzvB GO:0000166 GO:0010181 GO:0016491 GO:0042802 GO:0042803 GO:0050661 GO:0055114 GO:2001039
110.110.4203.150.160.492hayD GO:0000166 GO:0016491 GO:0055114
120.100.4593.720.100.562isjA GO:0000166 GO:0009236 GO:0016491 GO:0016705 GO:0055114
130.100.4442.920.140.513ek3A GO:0000166 GO:0016491 GO:0055114
140.090.4332.810.120.494bn9A GO:0000166 GO:0016491 GO:0055114
150.070.4093.250.130.483qdlA GO:0016491 GO:0046677 GO:0055114
160.060.4323.010.140.503gb5A GO:0004447 GO:0016020 GO:0016021 GO:0016491 GO:0055114 GO:0098869
170.060.4172.550.130.461zchA GO:0009636 GO:0016491 GO:0019439 GO:0052873 GO:0052874 GO:0055114
180.060.4143.030.160.473ge5A GO:0000166 GO:0016491 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0032553 GO:0016657 GO:0048037 GO:0005515 GO:0016646
GO-Score 0.39 0.39 0.39 0.39 0.39
Biological Processes GO:0055114 GO:0018974 GO:0046260
GO-Score 0.67 0.39 0.39
Cellular Component GO:0044444
GO-Score 0.39

(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.