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

I-TASSER results for job id Rv2897c

[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
10.20 10 1ofiB ADP Rep, Mult 190,194,195,197,219,221,222,223,224,225,226,391,399
20.10 5 3u5zB MG Rep, Mult 225,304,305
30.04 2 1ea0A F3S Rep, Mult 243,244,245,246,247,248,249,254
40.04 2 3u60E MG Rep, Mult 225,304,305,464
50.02 1 2fgzA CA Rep, Mult 473,476,488
60.02 1 1sxjE AGS Rep, Mult 318,377
70.02 1 2ya0A NA Rep, Mult 296,300,301,340,342
80.02 1 3u5zC 08T Rep, Mult 322,381
90.02 1 3u5zE MG Rep, Mult 225,304,471
100.02 1 3ja83 ADP Rep, Mult 322,463,464,467

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
10.0603lxuX0.3377.180.0510.5373.4.14.10296
20.0601ofdA0.3147.820.0470.5351.4.7.1NA
30.0603iceC0.3315.930.0710.4613.6.1.-NA
40.0602pffA0.3487.580.0380.5922.3.1.41,2.3.1.86NA
50.0602fhbA0.3576.750.0380.5353.2.1.41NA
60.0601bglA0.3327.200.0600.5273.2.1.2344
70.0601peuA0.3357.100.0540.5331.17.4.1NA
80.0602pffD0.3537.840.0330.6022.3.1.86196,200
90.0601kmhB0.3307.000.0640.5093.6.3.1481,85,161
100.0601n1hA0.3617.600.0570.5942.7.7.48NA
110.0601g8pA0.5751.160.2310.5876.6.1.1464
120.0602e8yA0.3437.710.0600.5813.2.1.41298
130.0601s76D0.3177.330.0360.5072.7.7.6NA
140.0602bhzA0.3427.610.0460.5713.2.1.141NA
150.0601eh9A0.3337.620.0560.5633.2.1.141NA
160.0601mswD0.3127.590.0470.5172.7.7.6NA
170.0602vdcF0.3577.330.0420.5751.4.1.13233
180.0602fj0A0.3307.390.0650.5433.1.1.1NA
190.0601aroP0.3407.300.0300.5472.7.7.6NA

(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
00.300.5751.160.230.591g8pA GO:0000166 GO:0005524 GO:0015979 GO:0015995 GO:0016851 GO:0016874 GO:0030494
10.150.4924.790.120.613jc77 GO:0000166 GO:0000727 GO:0000781 GO:0003677 GO:0003678 GO:0003682 GO:0003688 GO:0003697 GO:0004003 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006268 GO:0006270 GO:0006271 GO:0006348 GO:0007049 GO:0016787 GO:0017116 GO:0030466 GO:0031261 GO:0031298 GO:0033260 GO:0042555 GO:0043140 GO:0043142 GO:0097373 GO:1990163
20.140.4884.480.110.593ja87 GO:0000166 GO:0000727 GO:0000781 GO:0003677 GO:0003678 GO:0003682 GO:0003688 GO:0003697 GO:0004003 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006268 GO:0006270 GO:0006271 GO:0006348 GO:0007049 GO:0016787 GO:0017116 GO:0030466 GO:0031261 GO:0031298 GO:0033260 GO:0042555 GO:0043140 GO:0043142 GO:0097373 GO:1990163
30.090.5025.380.110.653jc75 GO:0000166 GO:0000727 GO:0000784 GO:0003677 GO:0003678 GO:0003682 GO:0003688 GO:0003697 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006270 GO:0006271 GO:0006343 GO:0006348 GO:0007049 GO:0016787 GO:0017116 GO:0030174 GO:0031261 GO:0031298 GO:0031939 GO:0032508 GO:0033260 GO:0042555
40.080.4063.790.130.484r7zA GO:0000166 GO:0003677 GO:0004519 GO:0005524 GO:0006260 GO:0016539 GO:0046872 GO:0051301 GO:0090305
50.070.4805.400.120.633jc56 GO:0000166 GO:0000727 GO:0003677 GO:0003678 GO:0003688 GO:0004003 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006268 GO:0006270 GO:0006271 GO:0007049 GO:0016787 GO:0017116 GO:0031261 GO:0031298 GO:0033260 GO:0042555 GO:0043140 GO:0043142 GO:0097373 GO:1990163
60.070.4885.410.100.633ja84 GO:0000166 GO:0000727 GO:0003677 GO:0003678 GO:0003688 GO:0003697 GO:0004003 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006268 GO:0006270 GO:0006271 GO:0007049 GO:0016787 GO:0017116 GO:0031261 GO:0031298 GO:0033260 GO:0042555 GO:0043140 GO:0043142 GO:0043596 GO:0097373 GO:1990163
70.070.4834.970.110.613ja83 GO:0000166 GO:0000727 GO:0000781 GO:0003677 GO:0003678 GO:0003682 GO:0003688 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006270 GO:0006271 GO:0006348 GO:0016787 GO:0016887 GO:0017116 GO:0030466 GO:0031261 GO:0031298 GO:0032508 GO:0033260 GO:0042555
80.070.4825.580.110.643ja82 GO:0000166 GO:0000727 GO:0003677 GO:0003678 GO:0003682 GO:0003688 GO:0003697 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006270 GO:0006271 GO:0006974 GO:0007049 GO:0016787 GO:0017116 GO:0031261 GO:0031298 GO:0032508 GO:0033260 GO:0042555 GO:0046872 GO:1902450
90.070.4594.290.100.564r7yA GO:0000166 GO:0003677 GO:0004386 GO:0004519 GO:0005524 GO:0006260 GO:0016539 GO:0016787 GO:0046872 GO:0051301 GO:0090305
100.070.4514.250.100.553jc72 GO:0000166 GO:0000727 GO:0003677 GO:0003678 GO:0003682 GO:0003688 GO:0003697 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006270 GO:0006271 GO:0006974 GO:0007049 GO:0016787 GO:0017116 GO:0031261 GO:0031298 GO:0032508 GO:0033260 GO:0042555 GO:0046872 GO:1902450
110.070.4495.110.090.573f9vA GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0006260 GO:0016787
120.060.4224.660.100.513f8tA GO:0000166 GO:0003677 GO:0005524 GO:0006260
130.060.4254.490.100.513jc54 GO:0000166 GO:0000727 GO:0003677 GO:0003678 GO:0003688 GO:0003697 GO:0004003 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006268 GO:0006270 GO:0006271 GO:0007049 GO:0016787 GO:0017116 GO:0031261 GO:0031298 GO:0033260 GO:0042555 GO:0043140 GO:0043142 GO:0043596 GO:0097373 GO:1990163
140.060.3063.370.140.354qhtC GO:0000160 GO:0000166 GO:0003677 GO:0003700 GO:0005524 GO:0005622 GO:0006351 GO:0006355 GO:0008134 GO:0043565
150.060.3184.900.110.404l4uA GO:0000160 GO:0000166 GO:0003677 GO:0005524 GO:0005622 GO:0006351 GO:0006355 GO:0008134 GO:0043565
160.060.3033.430.180.352viiA GO:0000160 GO:0000166 GO:0003677 GO:0005524 GO:0005737 GO:0006351 GO:0006355 GO:0008134 GO:0043565 GO:0045892 GO:0045893
170.060.2026.700.040.311um8A GO:0000166 GO:0005524 GO:0006457 GO:0008270 GO:0046872 GO:0046983 GO:0051082
180.060.2907.090.070.473k1jA GO:0000166 GO:0004176 GO:0004252 GO:0005524 GO:0006355 GO:0006508 GO:0008134 GO:0008233 GO:0016020 GO:0016021 GO:0030163


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0043138 GO:0009378 GO:0017116 GO:0003688 GO:0003697 GO:0003682 GO:0016851
GO-Score 0.57 0.53 0.53 0.34 0.34 0.34 0.34 0.30
Biological Processes GO:0032508 GO:0000727 GO:0006267 GO:0006271 GO:0006348 GO:0006270 GO:0030494 GO:0015979
GO-Score 0.53 0.34 0.34 0.34 0.34 0.34 0.30 0.30
Cellular Component GO:0098687 GO:0031261 GO:0005737 GO:0031298 GO:0005656 GO:0042555
GO-Score 0.53 0.34 0.34 0.34 0.34 0.34

(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.