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

I-TASSER results for job id Rv3226c

[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 1a9x2 III Rep, Mult 87,91,92,95,151,152
20.06 3 1yxiA MG Rep, Mult 89,93,119
30.04 2 1jdbE GLN Rep, Mult 87,90,97,98,104
40.04 2 1dxoA DQN Rep, Mult 120,151
50.04 2 2ibpB MG Rep, Mult 193,197
60.04 2 2d03L GOL Rep, Mult 152,167,168,169
70.02 1 3np5A CA Rep, Mult 10,13
80.02 1 1t64A CA Rep, Mult 180,183
90.02 1 1jdbH GLN Rep, Mult 89,90,91,97,98
100.02 1 1aczA GLC Rep, Mult 71,120
110.02 1 2pvzA CA Rep, Mult 91,92,93,172,173
120.02 1 2hi8X BR Rep, Mult 176,185,186
130.02 1 2qenA MG Rep, Mult 33,119
140.02 1 3jwrA IBM Rep, Mult 196,199
150.02 1 3kziT CLA Rep, Mult 101,105
160.02 1 4kitB MG Rep, Mult 9,115
170.02 1 3fw6A ZN Rep, Mult 93,183

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
10.0603msuA0.3685.810.0490.6072.3.3.13,218
20.0603djlA0.3975.520.0520.6191.3.99.-NA
30.0602yyaB0.3796.130.0360.6636.3.4.13NA
40.0601lrwA0.3825.940.0640.6471.1.99.8NA
50.0601kb0A0.3826.110.0480.6711.1.99.-NA
60.0603cdjA0.3606.380.0750.6552.7.7.8173,237
70.0603d64B0.3296.130.0310.5793.3.1.1NA
80.0602zf5Y0.3686.560.0560.6822.7.1.30NA
90.0601yiqA0.3696.110.0340.6431.1.99.-NA
100.0603edyA0.3926.020.0560.6863.4.14.9NA
110.0601siqA0.3725.540.0490.5831.3.99.7NA
120.0601p49A0.3896.470.0590.7023.1.6.2149
130.0602ys6A0.3726.190.0650.6676.3.4.13NA
140.0601iphA0.3865.990.0620.6551.11.1.6111
150.0602wk5A0.3556.170.0960.6272.4.2.491
160.0601w93A0.3846.770.0410.7186.3.4.14,6.4.1.2NA
170.0602iu4B0.3675.850.0530.6072.7.1.2215
180.0603elqB0.3775.660.0380.6232.8.2.2238
190.0602ebaA0.3825.600.0350.6071.3.99.737

(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
00.490.7182.580.310.812icuB GO:0006508 GO:0008233 GO:0016787
10.060.3185.760.010.555a5b6 GO:0000502 GO:0004175 GO:0004298 GO:0005634 GO:0005737 GO:0005789 GO:0005839 GO:0006508 GO:0008233 GO:0010499 GO:0016787 GO:0019774 GO:0034515 GO:0043161 GO:0051603
20.060.2906.190.040.523zkqA GO:0001540 GO:0004190 GO:0005768 GO:0005783 GO:0005794 GO:0006508 GO:0006509 GO:0008233 GO:0009986 GO:0016020 GO:0016021 GO:0016486 GO:0016787 GO:0030163 GO:0042985 GO:0050435
30.060.3306.260.060.594mx6A GO:0006810 GO:0030288
40.060.3216.020.050.563vywD GO:0016645 GO:0046872 GO:0051536 GO:0051539 GO:0055114
50.060.2975.440.040.471zd1A GO:0004062 GO:0005737 GO:0005829 GO:0006629 GO:0006790 GO:0008146 GO:0008202 GO:0016740 GO:0050427
60.060.2726.800.040.521adjA GO:0000166 GO:0004812 GO:0004821 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006427 GO:0016874
70.060.2456.920.030.483tiiB GO:0000166 GO:0006464 GO:0046872
80.060.2955.670.090.493r1xA GO:0008671 GO:0016301 GO:0016310 GO:0034194 GO:0046835
90.060.2576.320.100.444es6A GO:0004852 GO:0006779 GO:0006782 GO:0016829 GO:0033014
100.060.2926.050.070.501cqxA GO:0005344 GO:0005737 GO:0006810 GO:0008941 GO:0009636 GO:0015671 GO:0016491 GO:0019825 GO:0020037 GO:0046872 GO:0051409 GO:0055114 GO:0071949
110.060.3056.080.050.523b1cA GO:0003824 GO:0009058 GO:0016829 GO:0030170
120.060.2386.180.050.424oxdA GO:0006508 GO:0008233 GO:0046872
130.060.2395.700.030.404ij4A GO:0004568 GO:0005975 GO:0006032 GO:0016998
140.060.2736.040.060.474q66H GO:0000282 GO:0005794 GO:0006810 GO:0006893 GO:0015031 GO:0016020 GO:0034044 GO:0034221
150.060.2336.100.060.404v10A GO:0002230 GO:0005200 GO:0005737 GO:0005856 GO:0006936 GO:0030017 GO:0031430 GO:0032982 GO:0042802 GO:0042803 GO:0098779 GO:0098792
160.060.2266.590.060.423lktM GO:0003824 GO:0005506 GO:0006725 GO:0008199 GO:0016491 GO:0016702 GO:0018578 GO:0019439 GO:0019619 GO:0042952 GO:0046872 GO:0051213 GO:0055114
170.060.2065.950.030.354pn6B GO:0016020 GO:0016021
180.060.2034.680.010.292y23A GO:0002230 GO:0005737 GO:0005863 GO:0006936 GO:0008307 GO:0030017 GO:0031430 GO:0032982 GO:0042802 GO:0042803 GO:0098779 GO:0098792


Consensus prediction of GO terms
 
Molecular Function GO:0008233
GO-Score 0.55
Biological Processes GO:0006508
GO-Score 0.55
Cellular Component GO:0030288 GO:0016021 GO:0005634 GO:0009986 GO:0005789 GO:0019774 GO:0005794 GO:0005768 GO:0034515
GO-Score 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06

(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.