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I-TASSER results for job id Rv0955

[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
10.03 1 2ibfA III Rep, Mult 291,292,294,295,298,299,302,305,306,336,340
20.03 1 2zt9G III Rep, Mult 324,332
30.03 1 2wscJ CLA Rep, Mult 277,278
40.03 1 5ezmA MPG Rep, Mult 111,115,368,372,375
50.03 1 5ezmA MPG Rep, Mult 30,107,358
60.03 1 1xmeC HAS Rep, Mult 234,238
70.03 1 2gwwA III Rep, Mult 237,238,289,293,294,297,300,301,304,308,364
80.03 1 3ho8A COA Rep, Mult 213,214,216,217,219
90.03 1 5ezmA MPG Rep, Mult 43,47,370
100.03 1 2fkwD BCL Rep, Mult 27,30
110.03 1 3ho8D COA Rep, Mult 239,275,276
120.03 1 3myrB SF4 Rep, Mult 98,257
130.03 1 3rovB III Rep, Mult 209,210
140.03 1 2y04A 2CV Rep, Mult 58,62
150.03 1 2hvjC L2C Rep, Mult 72,75,79
160.03 1 4e9uA MG Rep, Mult 126,133
170.03 1 2jk5C L2C Rep, Mult 70,75
180.03 1 3ho8B COA Rep, Mult 236,237,239,240,241,243
190.03 1 2ya0A NA Rep, Mult 301,331,332,336

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
10.0602cseW0.3407.050.0360.5453.6.4.13NA
20.0602vr5A0.3767.250.0530.6223.2.1.-NA
30.0601s46A0.3396.990.0340.5452.4.1.4NA
40.0603czkA0.3466.710.0590.5343.2.1.48NA
50.0602je8B0.3547.110.0230.5853.2.1.25NA
60.0601br2A0.3017.620.0350.5253.6.1.32NA
70.0602j5wA0.3467.340.0470.5781.16.3.1NA
80.0603gm8A0.3507.160.0400.5763.2.1.-NA
90.0601a47A0.3397.440.0340.5782.4.1.19NA
100.0601d7fA0.3397.610.0340.5872.4.1.1975
110.0603h0gA0.3427.290.0650.5692.7.7.6337,338
120.0609cgtA0.3387.540.0340.5802.4.1.19301
130.0601l1lA0.3587.720.0570.6331.17.4.2NA
140.0603m07A0.3547.490.0510.5963.2.1.141241
150.0602qf7B0.3527.480.0420.6026.4.1.1NA
160.0603fedA0.3416.940.0420.5493.4.17.21NA
170.0601z8lA0.3427.020.0420.5563.4.17.21NA
180.0602qf7A0.3487.470.0480.5966.4.1.1NA
190.0601iq8A0.3576.790.0560.5692.4.2.29NA

(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
00.190.8532.890.130.945f15A GO:0016020 GO:0016021 GO:0016740
10.070.6264.760.060.813wakA GO:0004576 GO:0006486 GO:0016020 GO:0016021 GO:0016740 GO:0046872
20.070.6104.660.070.783wajA GO:0004576 GO:0006486 GO:0016020 GO:0016021 GO:0016740 GO:0046872
30.070.5674.960.060.733rceA GO:0000287 GO:0004576 GO:0005886 GO:0006486 GO:0016020 GO:0016021 GO:0016740 GO:0016757 GO:0018279 GO:0046872
40.060.2806.740.030.444gklA GO:0003824 GO:0005975
50.060.2776.730.060.435azaA GO:0004576 GO:0005215 GO:0005363 GO:0006486 GO:0006810 GO:0006974 GO:0008643 GO:0015768 GO:0016020 GO:0016021 GO:0016740 GO:0030288 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0055052 GO:0060326 GO:1901982 GO:1990060
60.060.2977.530.050.501lshA GO:0005319 GO:0006869 GO:0045735
70.060.2596.930.040.423vu1B GO:0004576 GO:0006486 GO:0016020 GO:0016021 GO:0046872
80.060.2406.750.040.374v2pB GO:0003824 GO:0004315 GO:0006633 GO:0008152 GO:0016740
90.060.2527.460.020.432amxA GO:0009168 GO:0019239
100.060.2466.940.040.404xmpG GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
110.060.2627.130.040.423wovA GO:0004576 GO:0006486 GO:0016020 GO:0016021 GO:0016740 GO:0046872
120.060.2476.780.040.394j6rG GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
130.060.2327.060.030.383waiA GO:0004576 GO:0005215 GO:0005363 GO:0006486 GO:0006810 GO:0006974 GO:0008643 GO:0015768 GO:0016020 GO:0016021 GO:0016740 GO:0030288 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0046872 GO:0055052 GO:0060326 GO:1901982 GO:1990060
140.060.2146.030.020.312lgzA GO:0004576 GO:0004579 GO:0005783 GO:0005789 GO:0006486 GO:0006487 GO:0008250 GO:0016020 GO:0016021 GO:0016740 GO:0016757 GO:0018279 GO:0043687
150.060.1956.070.060.291r5aA GO:0016740 GO:0046872
160.060.1826.880.030.293oekA GO:0004872 GO:0004970 GO:0004972 GO:0005216 GO:0005234 GO:0005261 GO:0005886 GO:0006810 GO:0006811 GO:0008328 GO:0016020 GO:0016021 GO:0016595 GO:0017146 GO:0022843 GO:0030054 GO:0034220 GO:0034765 GO:0035235 GO:0035249 GO:0042165 GO:0045202 GO:0045211 GO:0098655
170.060.1845.720.020.264dguA GO:0046872
180.060.1665.830.080.243aagB GO:0004576 GO:0005886 GO:0006486 GO:0006487 GO:0016020 GO:0016021 GO:0016740 GO:0016757 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0043169 GO:0016758
GO-Score 0.38 0.38
Biological Processes GO:0006464 GO:0009101 GO:0044763 GO:0043413
GO-Score 0.38 0.38 0.38 0.38
Cellular Component GO:0016021
GO-Score 0.35

(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.