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I-TASSER results for job id Rv2777c

[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
10.28 49 1nf4A FE2 Rep, Mult 145,207,243,246
20.27 44 3is8A FE2 Rep, Mult 116,145,148,243
30.01 1 3chhA FEO Rep, Mult 123,138,141,246,250,253
40.01 1 1xvgA BRJ Rep, Mult 205,206,209,271,274,275
50.01 1 2jcdA MN Rep, Mult 215,236,239
60.01 1 1piuA O Rep, Mult 116,119,207,210
70.01 1 1mhy1 III Rep, Mult 57,58,61,62,63,64,65,70,230,234,237

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
10.0671uzrB0.5624.350.0860.7191.17.4.1NA
20.0671biqB0.5824.450.0760.7501.17.4.1NA
30.0671rsrB0.5824.550.0860.7531.17.4.1NA
40.0661jk0A0.5524.530.0990.7191.17.4.1NA
50.0603ixzA0.4026.130.0530.6243.6.3.10NA
60.0601fziA0.5694.430.0810.7301.14.13.25NA
70.0603ee4A0.5624.260.0940.7081.17.4.1NA
80.0602bq1I0.5564.360.0760.7191.17.4.1NA
90.0602j2fA0.5134.970.0740.7021.14.19.2,1.14.99.6NA
100.0603b8cA0.4006.080.0340.6153.6.3.6NA
110.0601mo7A0.2315.570.0350.3403.6.3.9214
120.0602vuxB0.5143.900.1000.6381.17.4.1NA
130.0601ygeA0.5235.720.0420.7751.13.11.12NA
140.0601aorB0.3166.320.0310.5141.2.7.5NA
150.0601h0nA0.5474.330.0970.7081.17.4.1NA
160.0603b8eA0.4036.180.0530.6263.6.3.9NA
170.0603hf1B0.5514.350.1010.7111.17.4.1NA
180.0602iukA0.5265.740.0580.7811.13.11.12NA
190.0601smsA0.5574.680.0830.7391.17.4.1NA
200.0602qcxB0.4163.810.0550.5113.5.99.2124,146
210.0601syyA0.5684.420.0760.7301.17.4.1NA
220.0601xvgC0.5564.700.0750.7421.14.13.25147
230.0601mhyB0.5584.540.0580.7361.14.13.25NA

(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
00.290.5474.330.100.711h0nA GO:0004748 GO:0005634 GO:0005737 GO:0005971 GO:0006260 GO:0009186 GO:0009262 GO:0009263 GO:0016491 GO:0046872 GO:0051259 GO:0051290 GO:0055114
10.150.6593.670.110.792jcdA GO:0046872
20.140.5624.800.080.752rccA GO:0004748 GO:0006260 GO:0009186 GO:0016491 GO:0046872 GO:0055114
30.120.5894.630.080.765cnvH GO:0004748 GO:0005506 GO:0005737 GO:0005829 GO:0005971 GO:0006260 GO:0009186 GO:0009263 GO:0015949 GO:0016491 GO:0042802 GO:0046872 GO:0055114
40.110.5574.300.060.714bmqA GO:0004748 GO:0005971 GO:0006260 GO:0009186 GO:0009263 GO:0016020 GO:0016021 GO:0016491 GO:0046872 GO:0055114
50.110.5554.180.090.714n83A GO:0004748 GO:0005971 GO:0006260 GO:0009186 GO:0009263 GO:0016491 GO:0046872 GO:0055114
60.110.5524.530.100.721jk0A GO:0004748 GO:0005634 GO:0005737 GO:0005971 GO:0006260 GO:0009186 GO:0009263 GO:0016491 GO:0046872 GO:0055114
70.100.5354.500.070.702o1zA GO:0009186 GO:0016491 GO:0046872 GO:0055114
80.100.5564.260.080.711oquC GO:0004748 GO:0005971 GO:0006260 GO:0009186 GO:0009263 GO:0016491 GO:0046872 GO:0055114
90.100.5554.280.080.714m1fA GO:0004748 GO:0005506 GO:0005737 GO:0005971 GO:0006260 GO:0009186 GO:0009263 GO:0016491 GO:0030145 GO:0046872 GO:0055114
100.090.5574.530.060.724dr0B GO:0004748 GO:0005971 GO:0006260 GO:0009186 GO:0009263 GO:0016491 GO:0046872 GO:0055114
110.080.5564.360.080.722bq1I GO:0004748 GO:0005971 GO:0006260 GO:0009186 GO:0009263 GO:0016491 GO:0046872 GO:0055114
120.070.5784.530.070.744m1hB GO:0004748 GO:0005971 GO:0006260 GO:0009186 GO:0009263 GO:0016491 GO:0046872 GO:0055114
130.070.5764.470.090.744ac8A GO:0004748 GO:0005506 GO:0005829 GO:0005971 GO:0009186 GO:0009263 GO:0016491 GO:0030145 GO:0046872 GO:0055114
140.070.5624.350.090.721uzrB GO:0004748 GO:0005971 GO:0006260 GO:0009186 GO:0009263 GO:0016491 GO:0040007 GO:0046872 GO:0055114
150.070.5464.450.100.714djnA GO:0001822 GO:0003014 GO:0004748 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005971 GO:0006260 GO:0006264 GO:0006281 GO:0006974 GO:0006979 GO:0009186 GO:0009200 GO:0009263 GO:0014075 GO:0015949 GO:0016491 GO:0046872 GO:0055114 GO:0070062 GO:1902254
160.070.5574.680.080.741smsA GO:0004748 GO:0005634 GO:0005737 GO:0005971 GO:0006260 GO:0009186 GO:0009263 GO:0016491 GO:0051188 GO:0055114
170.070.5143.900.100.642vuxB GO:0001822 GO:0003014 GO:0004748 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005971 GO:0006260 GO:0006264 GO:0006281 GO:0006974 GO:0006979 GO:0009186 GO:0009200 GO:0009263 GO:0014075 GO:0015949 GO:0016491 GO:0046872 GO:0055114 GO:0070062 GO:1902254
180.060.2826.260.070.451o20A GO:0004350 GO:0005737 GO:0006561 GO:0008152 GO:0008652 GO:0016491 GO:0016620 GO:0050661 GO:0055114 GO:0055129


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0004748
GO-Score 0.59 0.52
Biological Processes GO:0051291 GO:0051262 GO:0006260 GO:0055114 GO:0009186 GO:0009263
GO-Score 0.57 0.57 0.52 0.52 0.52 0.45
Cellular Component GO:0043231 GO:0005971
GO-Score 0.57 0.45

(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.