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I-TASSER results for job id Rv2184c

[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
10.19 9 3ug6A ADP Rep, Mult 187,189
20.18 9 3ug7A ADP Rep, Mult 214,215,263,264,265,266
30.04 2 3ug6B MG Rep, Mult 6,10
40.04 2 3zq6B UUU Rep, Mult 6,114,214,263
50.02 1 1ofdB F3S Rep, Mult 11,19,20,21,22,35,44
60.02 1 1lm1A F3S Rep, Mult 90,91,92,95,96,97,124,125
70.02 1 3h84A NA Rep, Mult 3,4,5,110,111,112
80.02 1 1llwA F3S Rep, Mult 15,16,17,18,19,36,45

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
10.0603gbdA0.3956.660.0490.6605.4.99.11NA
20.0601cp2B0.4063.420.1240.4831.18.6.16,194
30.0603eifA0.4156.370.0760.6543.4.21.110NA
40.0602ad5B0.3794.830.0630.5076.3.4.2NA
50.0601m53A0.3956.470.0420.6495.4.99.12NA
60.0601s1mB0.3764.950.0560.5076.3.4.2NA
70.0601wzaA0.3876.600.0380.6413.2.1.1210
80.0601ofdA0.3996.870.0910.6671.4.7.1NA
90.0601r64A0.3885.950.0470.5833.4.21.61NA
100.0601eg7A0.3856.170.0750.5996.3.4.3NA
110.0601e6zB0.3895.870.0390.5833.2.1.14NA
120.0601cygA0.4435.690.0510.6522.4.1.1994,193
130.0601veoA0.3856.120.0660.5913.2.1.2NA
140.0603czkA0.3826.020.0760.5883.2.1.48NA
150.0603a5vA0.3925.920.0600.5863.2.1.22NA
160.0601llwA0.4076.660.0820.6751.4.7.1NA
170.0603do6A0.4115.380.0660.5786.3.4.3NA
180.0601p8jA0.3866.150.0660.5943.4.21.75NA
190.0601b23P0.3876.230.0820.6073.6.5.3NA

(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
00.370.7501.910.230.803igfB GO:0005524 GO:0016887
10.210.5463.270.220.633zq6D GO:0000166 GO:0005524 GO:0015446 GO:0016787 GO:0016887 GO:0046685 GO:0098655 GO:0098656
20.200.5392.940.230.614xtrA GO:0000166 GO:0000750 GO:0005085 GO:0005524 GO:0005737 GO:0005783 GO:0005794 GO:0006620 GO:0006810 GO:0006890 GO:0009408 GO:0010038 GO:0016192 GO:0016787 GO:0016887 GO:0042802 GO:0043529 GO:0043547 GO:0045048 GO:0046685 GO:0046872 GO:0051082 GO:1990507
30.180.5443.300.200.633sjaB GO:0000166 GO:0000750 GO:0005085 GO:0005524 GO:0005737 GO:0005783 GO:0005794 GO:0006620 GO:0006810 GO:0006890 GO:0009408 GO:0010038 GO:0016192 GO:0016787 GO:0016887 GO:0042802 GO:0043529 GO:0043547 GO:0045048 GO:0046685 GO:0046872 GO:0051082 GO:1990507
40.170.5113.490.200.603h84A GO:0000166 GO:0000750 GO:0005085 GO:0005524 GO:0005737 GO:0005783 GO:0005794 GO:0006620 GO:0006810 GO:0006890 GO:0009408 GO:0010038 GO:0016192 GO:0016787 GO:0016887 GO:0042802 GO:0043529 GO:0043547 GO:0045048 GO:0046685 GO:0046872 GO:0051082 GO:1990507
50.070.5583.270.200.653ug7A GO:0000166 GO:0005524 GO:0015446 GO:0016787 GO:0016887 GO:0042802 GO:0046685 GO:0098655 GO:0098656
60.070.5393.070.210.613zq6B GO:0000166 GO:0005524 GO:0015446 GO:0016787 GO:0016887 GO:0046685 GO:0098655 GO:0098656
70.070.5163.330.170.602wooA GO:0000166 GO:0005524 GO:0005634 GO:0005737 GO:0005783 GO:0005829 GO:0006810 GO:0006890 GO:0016787 GO:0016887 GO:0043529 GO:0045048 GO:0046872
80.070.5083.440.220.603a36A GO:0000166 GO:0000750 GO:0005085 GO:0005524 GO:0005737 GO:0005783 GO:0005794 GO:0006620 GO:0006810 GO:0006890 GO:0009408 GO:0010038 GO:0016192 GO:0016787 GO:0016887 GO:0042802 GO:0043529 GO:0043547 GO:0045048 GO:0046685 GO:0046872 GO:0051082 GO:1990507
90.070.4794.700.110.611ii0B GO:0000166 GO:0005524 GO:0015446 GO:0016787 GO:0016887 GO:0046685 GO:0071722 GO:0098655 GO:0098656
100.070.4662.780.230.523iqxA GO:0000166 GO:0005524 GO:0005737 GO:0005783 GO:0006810 GO:0016787 GO:0016887 GO:0045048 GO:0046872
110.070.4763.780.200.583ibgA GO:0000166 GO:0005524 GO:0005634 GO:0005737 GO:0005783 GO:0005829 GO:0006810 GO:0016787 GO:0016887 GO:0045048 GO:0046872
120.070.4673.020.230.533sjbA GO:0000166 GO:0000750 GO:0005085 GO:0005524 GO:0005737 GO:0005783 GO:0005794 GO:0006620 GO:0006810 GO:0006890 GO:0009408 GO:0010038 GO:0016192 GO:0016787 GO:0016887 GO:0042802 GO:0043529 GO:0043547 GO:0045048 GO:0046685 GO:0046872 GO:0051082 GO:1990507
130.060.3863.720.130.473kb1A GO:0000166 GO:0005524 GO:0016787 GO:0016887 GO:0046872 GO:0051536
140.060.3822.300.230.423io3A GO:0000166 GO:0000750 GO:0005085 GO:0005524 GO:0005634 GO:0005737 GO:0005783 GO:0005829 GO:0006620 GO:0006810 GO:0006890 GO:0009408 GO:0010038 GO:0016787 GO:0016887 GO:0042802 GO:0043529 GO:0043547 GO:0045048 GO:0046872 GO:0051082 GO:1990507
150.060.3106.860.050.523ja84 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
160.060.2356.300.050.363jc54 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
170.060.2627.680.070.493i0zA GO:0005975 GO:0016853 GO:0030246
180.060.2276.760.060.382w7yA


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0042802 GO:0005085 GO:0046872 GO:0051082 GO:0008490 GO:0043225 GO:0019829
GO-Score 0.73 0.46 0.46 0.46 0.46 0.41 0.41 0.41
Biological Processes GO:0046685 GO:1990507 GO:0045048 GO:0043547 GO:0006620 GO:0006890 GO:0000750 GO:0010038 GO:0009408 GO:0006812 GO:0034220 GO:0006820
GO-Score 0.57 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.41 0.41 0.41
Cellular Component GO:0005794 GO:0043529
GO-Score 0.46 0.46

(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.