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

I-TASSER results for job id Rv0571c

[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
10.27 14 1r4zB RIL Rep, Mult 261,262,264,335,336,337,362,365,413
20.08 4 1x70A UUU Rep, Mult 231,244,286,287,288
30.04 2 1eccA MN Rep, Mult 32,130,131
40.02 1 3m81A CA Rep, Mult 216,231
50.02 1 1p6bA ZN Rep, Mult 260,289
60.02 1 3muoA ZPR Rep, Mult 258,285,333,335,336,360,413,425,429
70.02 1 2wtnA FER Rep, Mult 261,262,263,336,337
80.02 1 1xfdB UUU Rep, Mult 342,346,350

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
10.0632jbwD0.4794.170.1620.5673.7.1.-336,413
20.0602c7bA0.4303.350.1080.4853.1.1.1NA
30.0602gbcA0.4865.100.0750.6213.4.14.5,3.4.15.5385,413
40.0601aknA0.4224.510.0860.5153.1.1.13,3.1.1.3NA
50.0602b4kA0.4533.790.1380.5373.1.1.43385
60.0601orvA0.4854.840.0660.6073.4.14.5385,413
70.0603f98A0.4273.280.1180.4853.1.1.47319,354,376,435
80.0601hlgB0.4403.420.1380.5063.1.1.3NA
90.0601nx9A0.4533.800.1330.5373.1.1.43NA
100.0602bklB0.4764.480.0760.5823.4.21.26NA
110.0603g0bB0.4845.000.0690.6123.4.14.5329,348
120.0601k8qA0.4413.430.1390.5063.1.1.3NA
130.0602fj0A0.4224.660.0970.5193.1.1.1NA
140.0601bxrA0.4436.330.0560.6646.3.5.5313,357
150.0601qo9A0.4224.590.0990.5153.1.1.7NA
160.0601maaD0.2967.970.0550.5423.1.1.7NA
170.0601f6wA0.4244.610.0980.5193.1.1.13,3.1.1.3NA
180.0601hlgA0.4393.470.1290.5083.1.1.3NA
190.0601z68A0.4824.820.0730.6053.4.21.-336

(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
00.540.4531.930.570.482o2gA GO:0016787
10.130.4053.270.150.463visA GO:0003847 GO:0015996 GO:0016042 GO:0046872 GO:0047746
20.130.4620.970.460.471wd5A GO:0009116 GO:0016740 GO:0016757
30.070.4894.790.080.611xfdA GO:0005886 GO:0006508 GO:0008076 GO:0008236 GO:0008239 GO:0009986 GO:0015459 GO:0016020 GO:0016021 GO:0043025 GO:0043268 GO:0070062 GO:0072659 GO:1901379
40.070.4804.920.120.603azoA GO:0004177 GO:0006508 GO:0008236
50.070.4834.730.130.602ecfA GO:0006508 GO:0008236
60.070.4824.820.070.601z68A GO:0001525 GO:0002020 GO:0004175 GO:0004222 GO:0004252 GO:0005178 GO:0005576 GO:0005615 GO:0005737 GO:0005886 GO:0005925 GO:0006508 GO:0006915 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0009986 GO:0010710 GO:0010716 GO:0016020 GO:0016021 GO:0016787 GO:0030027 GO:0030054 GO:0031258 GO:0032587 GO:0042803 GO:0042995 GO:0043542 GO:0045177 GO:0045178 GO:0046983 GO:0051603 GO:0051917 GO:0060244 GO:0071158 GO:0071438 GO:0071850 GO:0097325 GO:1900119 GO:1902362 GO:1903054
70.070.4844.510.120.594hxgF GO:0006508 GO:0008236 GO:0046872
80.070.4894.720.110.614q1vA GO:0006508 GO:0008236 GO:0016787 GO:0046872
90.070.4865.100.070.622gbcA GO:0002020 GO:0002709 GO:0004177 GO:0004252 GO:0005102 GO:0005518 GO:0005576 GO:0005783 GO:0005794 GO:0005886 GO:0006508 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0008284 GO:0009986 GO:0010716 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0030027 GO:0030054 GO:0030139 GO:0031258 GO:0031295 GO:0042277 GO:0042803 GO:0042995 GO:0043542 GO:0045121 GO:0051234 GO:0071438
100.070.4835.140.120.633o4jC GO:0005737 GO:0006508 GO:0008236 GO:0016787
110.070.4604.640.120.572d5lA GO:0004177 GO:0006508 GO:0008233 GO:0008236 GO:0016787
120.070.4844.930.090.614wjlB GO:0005886 GO:0006508 GO:0008236 GO:0008239 GO:0015459 GO:0016020 GO:0016021 GO:0072659 GO:0090004 GO:1901379
130.070.4834.740.060.602aj8A GO:0001618 GO:0001662 GO:0001666 GO:0002020 GO:0004177 GO:0004252 GO:0005102 GO:0005576 GO:0005765 GO:0005886 GO:0005925 GO:0006508 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0008284 GO:0009986 GO:0010716 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0030027 GO:0030054 GO:0030139 GO:0031258 GO:0031295 GO:0033632 GO:0035641 GO:0036343 GO:0042110 GO:0042802 GO:0042803 GO:0042995 GO:0043542 GO:0045121 GO:0046581 GO:0046718 GO:0070062 GO:0071438
140.070.4824.950.070.614n8eB GO:0001618 GO:0001662 GO:0001666 GO:0002020 GO:0004177 GO:0004252 GO:0005102 GO:0005576 GO:0005765 GO:0005886 GO:0005925 GO:0006508 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0008284 GO:0009986 GO:0010716 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0030027 GO:0030054 GO:0030139 GO:0031258 GO:0031295 GO:0033632 GO:0035641 GO:0036343 GO:0042110 GO:0042802 GO:0042803 GO:0042995 GO:0043542 GO:0045121 GO:0046581 GO:0046718 GO:0070062 GO:0071438
150.060.3882.780.140.433dkrA GO:0052689
160.060.3902.440.210.423heaA GO:0003824 GO:0004064 GO:0004601 GO:0016491 GO:0016787 GO:0055114 GO:0098869
170.060.3037.630.020.531nr0A GO:0003779 GO:0005737 GO:0005856 GO:0016528 GO:0030016 GO:0030240 GO:0030836 GO:0030837 GO:0040011 GO:0040012 GO:0042643 GO:0051015 GO:0071689
180.060.2876.820.070.462hqsA GO:0006810 GO:0015031 GO:0017038 GO:0030288 GO:0032153 GO:0042597 GO:0043213 GO:0071237
190.060.2997.190.040.504noxA GO:0000166 GO:0001731 GO:0003676 GO:0003723 GO:0003743 GO:0005737 GO:0005852 GO:0006412 GO:0006413 GO:0006446 GO:0016282 GO:0031369 GO:0033290
200.060.2846.840.050.464pwzB GO:0006810 GO:0015031 GO:0017038 GO:0042597


Consensus prediction of GO terms
 
Molecular Function GO:0016787
GO-Score 0.54
Biological Processes GO:0016042 GO:0006508 GO:0015996 GO:0009116 GO:1901379 GO:0043268 GO:0072659
GO-Score 0.13 0.13 0.13 0.13 0.07 0.07 0.07
Cellular Component GO:0070062 GO:0043025 GO:0008076 GO:0009986
GO-Score 0.07 0.07 0.07 0.07

(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.