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I-TASSER results for job id Rv0160c

[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 1 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
10.12 6 4bedA CUO Rep, Mult 55,69,73,271,275,311,315
20.08 4 2y9xD 0TR Rep, Mult 55,271,272,275,299,300,301,302,305,311
30.04 2 2wycA 3LA Rep, Mult 51,54
40.04 2 2ll8A PNS Rep, Mult 45,48
50.02 1 3v4vA 0DU Rep, Mult 158,185
60.02 1 1f8rC UUU Rep, Mult 355,358
70.02 1 1qbgB FAD Rep, Mult 293,294
80.02 1 4hd4B CU Rep, Mult 55,73,302
90.02 1 2efbA PO4 Rep, Mult 235,237,243,375,376,377,378
100.02 1 2qqtA NAG Rep, Mult 210,213,216,235
110.02 1 2vn4A MAN Rep, Mult 486,487
120.02 1 2e9eB NO3 Rep, Mult 5,318,319,320,366
130.02 1 3s6lA ZN Rep, Mult 45,73
140.02 1 2xqtE CVM Rep, Mult 62,65

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
10.0601i1iP0.3086.860.0320.4723.4.24.1646
20.0603gtgB0.3457.520.0470.5682.7.7.6182,300
30.0602d0gA0.3347.210.0390.5443.2.1.135NA
40.0602vr5A0.3457.290.0510.5563.2.1.-NA
50.0603b9jI0.1575.210.0520.2111.17.1.4,1.17.3.2127,271
60.0603czkA0.3377.570.0510.5643.2.1.4890
70.0601q16A0.3447.460.0310.5621.7.99.4NA
80.0601nx9A0.3286.890.0250.5143.1.1.43NA
90.0601z45A0.3467.470.0840.5685.1.3.2,5.1.3.3NA
100.0601bt1A0.4304.530.1000.5241.10.3.1NA
110.0602b4kA0.3207.600.0430.5283.1.1.4358
120.0601aorB0.3317.150.0530.5281.2.7.5NA
130.0603k1dA0.3307.150.0470.5282.4.1.18323
140.0603hhsA0.3385.490.0570.4381.14.18.1377
150.0602fhcA0.3357.620.0400.5583.2.1.41231,279
160.0601bf2A0.3357.590.0420.5483.2.1.68NA
170.0601h54B0.3327.320.0510.5342.4.1.8NA
180.0601fo4A0.3008.340.0500.5501.17.1.4NA
190.0602ckjA0.2927.910.0400.5001.17.1.4,1.17.3.2NA

(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
00.210.8882.750.100.963w6wA GO:0004503 GO:0005634 GO:0008152 GO:0016491 GO:0046872 GO:0055114
10.200.8932.830.100.963w6qA GO:0004503 GO:0005634 GO:0008152 GO:0016491 GO:0046872 GO:0055114
20.150.5884.250.090.701lnlA GO:0005344 GO:0005576 GO:0005615 GO:0006810 GO:0008152 GO:0015671 GO:0016491 GO:0046872 GO:0055114
30.120.7363.940.080.864ouaB GO:0004503 GO:0008152 GO:0016491 GO:0046872 GO:0055114
40.070.5874.220.080.713qjoA GO:0008152 GO:0016491 GO:0046872 GO:0055114
50.070.5683.380.100.642y9wA GO:0004497 GO:0004503 GO:0008152 GO:0016491 GO:0042438 GO:0046872 GO:0055114
60.070.5554.100.080.661js8A GO:0005344 GO:0006810 GO:0008152 GO:0015671 GO:0016491 GO:0046872 GO:0055114
70.070.5375.440.090.714z11A GO:0004097 GO:0008152 GO:0016491 GO:0046148 GO:0046872 GO:0055114
80.060.4334.450.100.522p3xA GO:0004097 GO:0008152 GO:0009507 GO:0009536 GO:0009543 GO:0009579 GO:0016491 GO:0046148 GO:0046872 GO:0055114
90.060.4304.530.100.521bt1A GO:0004097 GO:0008152 GO:0009507 GO:0009536 GO:0009543 GO:0009579 GO:0016491 GO:0046872 GO:0055114
100.060.4314.420.100.525ce9A GO:0004097 GO:0004503 GO:0008152 GO:0016491 GO:0036263 GO:0046148 GO:0046872 GO:0055114
110.060.4004.680.070.504j3rA GO:0004097 GO:0008152 GO:0016491 GO:0046872 GO:0055114
120.060.3954.170.090.474hd4A GO:0008152 GO:0016491 GO:0046872 GO:0055114
130.060.3914.200.110.473awtA GO:0008152 GO:0016491 GO:0046872 GO:0055114
140.060.2187.040.020.341gu6A GO:0005506 GO:0005509 GO:0006807 GO:0016491 GO:0016966 GO:0019645 GO:0020037 GO:0030288 GO:0042128 GO:0042279 GO:0042597 GO:0046872 GO:0055114
150.060.2196.840.060.344yb6A GO:0000105 GO:0000166 GO:0000287 GO:0003879 GO:0005524 GO:0005737 GO:0008652 GO:0016740 GO:0016757 GO:0046872
160.060.1836.400.040.272oy5O GO:0009279 GO:0016020
170.060.1776.760.040.283ckfA GO:0009279
180.060.1464.100.040.181gmzB GO:0004623 GO:0005509 GO:0005576 GO:0006629 GO:0016042 GO:0016787 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0004503
GO-Score 0.56 0.44
Biological Processes GO:0055114
GO-Score 0.56
Cellular Component GO:0005634
GO-Score 0.37

(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.