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

I-TASSER results for job id Rv3228

[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
10.28 9 1u0lC GDP Rep, Mult 158,159,161,183,206,207,208,209,210,211,212
20.20 7 1t9hA ZN Rep, Mult 289,293,295,304
30.07 4 1tu4B CO Rep, Mult 211,258
40.06 3 2ykrW NUC Rep, Mult 40,41,42,43,44,59,62,63,64,65,66,67,104,138,141,205,242,259,261,264,290,291,301,302
50.04 2 4bs1B ADP Rep, Mult 161,206,207,209,210,211,212
60.02 1 1t9hA CA Rep, Mult 176,178
70.02 1 2rh1A CLR Rep, Mult 125,151

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
10.0601mhsA0.4046.140.0370.6513.6.3.6NA
20.0601vbgA0.3886.770.0500.6822.7.9.1NA
30.0603aboA0.3845.930.0560.5944.3.1.7NA
40.0602vtfA0.3786.460.0440.6153.2.1.96151
50.0601cgtA0.4096.610.0490.6912.4.1.19NA
60.0601bxrA0.3716.810.0520.6516.3.5.572
70.0602x0sA0.3916.410.0670.6482.7.9.1NA
80.0609cgtA0.4096.460.0390.6822.4.1.19181,215
90.0601qhoA0.4006.380.0640.6643.2.1.133161
100.0601d7fA0.4146.620.0380.7002.4.1.19NA
110.0603nqbA0.3736.690.0560.6333.5.4.2NA
120.0601pn0C0.3756.270.0630.6061.14.13.7NA
130.0603djlA0.3756.320.0710.6211.3.99.-148
140.0603f9vA0.3925.490.0340.5613.-.-.-321
150.0605acnA0.3706.340.0640.5974.2.1.3NA
160.0601cygA0.4076.350.0450.6732.4.1.19178
170.0603ikmD0.3756.480.0420.6272.7.7.7NA
180.0601iexA0.3717.130.0480.6703.2.1.58NA
190.0603hmjA0.3916.810.0500.6642.3.1.86NA

(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
00.480.7621.800.250.812rcnA GO:0000166 GO:0003924 GO:0005525 GO:0016787 GO:0046872
10.470.6982.740.210.791t9hA GO:0000166 GO:0003924 GO:0005525 GO:0016787 GO:0046872
20.440.7052.830.240.802yv5A GO:0000166 GO:0003924 GO:0005525 GO:0016787 GO:0046872
30.440.7182.410.230.791u0lA GO:0000166 GO:0003924 GO:0005525 GO:0016787 GO:0046872
40.090.3483.610.100.423cnlA GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0042254
50.060.3306.420.040.551b23P GO:0000166 GO:0003746 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0006412 GO:0006414
60.060.3336.340.050.553qsyA GO:0000166 GO:0001731 GO:0003743 GO:0003746 GO:0003924 GO:0005525 GO:0005622 GO:0006412 GO:0006413 GO:0006414
70.060.2916.720.060.494v5pAZ GO:0000166 GO:0003723 GO:0003746 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0006412 GO:0006414
80.060.2346.360.040.394dcsA GO:0000027 GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0042254 GO:0043022
90.060.3236.420.060.543odmC GO:0000287 GO:0003824 GO:0006099 GO:0006107 GO:0008964 GO:0015977 GO:0016829
100.060.2497.360.050.463m6aA GO:0000166 GO:0004176 GO:0004252 GO:0005524 GO:0005737 GO:0006508 GO:0006515 GO:0008233 GO:0008236 GO:0016787 GO:0016887 GO:0030163 GO:0033554 GO:0043565
110.060.2816.000.060.454fzvA GO:0003723 GO:0005739 GO:0005762 GO:0006364 GO:0008168 GO:0016740 GO:0019843 GO:0031167 GO:0032259 GO:0042254 GO:0042256 GO:0070131 GO:0070181
120.060.2876.750.040.493ievA GO:0000028 GO:0000166 GO:0003723 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0005829 GO:0005886 GO:0016020 GO:0019843 GO:0042254 GO:0042274 GO:0043024 GO:0070181
130.060.2795.970.060.453k53D GO:0005525 GO:0015093 GO:0015684 GO:0016020 GO:0016021 GO:1903874
140.060.2815.760.060.431vpxE GO:0003824 GO:0004801 GO:0005737 GO:0005975 GO:0006098 GO:0016740
150.060.2914.250.030.372e87A GO:0005525
160.060.2976.450.070.473jcex GO:0000166 GO:0003746 GO:0003924 GO:0005525 GO:0005829 GO:0005886 GO:0006412 GO:0006414 GO:0009268 GO:0009409 GO:0009651 GO:0016020 GO:0016787 GO:0043022 GO:0043023 GO:0043024 GO:0045727
170.060.2725.120.030.383a1sA GO:0003924 GO:0005525 GO:0005737 GO:0005886 GO:0006810 GO:0015093 GO:0015684 GO:0016020 GO:0016021 GO:0055072 GO:1903874
180.060.2547.290.040.483qktB GO:0000166 GO:0005524 GO:0006281 GO:0006302 GO:0006974 GO:0008270 GO:0016787 GO:0016887 GO:0042802 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0005525 GO:0003924 GO:0046872
GO-Score 0.92 0.92 0.91
Biological Processes GO:0042254
GO-Score 0.09
Cellular Component GO:0005737
GO-Score 0.09

(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.