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I-TASSER results for job id Rv3205c

[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 24 4dcaA ADP Rep, Mult 33,46,48,92,93,94,95,200,202,212,213
20.14 11 4dtaB ADN Rep, Mult 46,74,93,94,95,202,212,213
30.06 5 3atsA MG Rep, Mult 196,198,200,213
40.02 2 3c5iB CHT Rep, Mult 196,198,231,263,266,279,283
50.01 1 4r7bA CHT Rep, Mult 35,196,231,264,267,276
60.01 1 1l8tA MG Rep, Mult 37,213

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
10.2731nd4A0.6154.020.1110.7842.7.1.95196
20.2322ppqA0.7742.970.1350.9112.7.1.3997,196,203
30.1411l8tA0.6174.220.0630.7982.7.1.95196
40.0603f2sA0.7383.710.0810.9212.7.1.32196
50.0602ckpA0.6983.510.0910.8632.7.1.32196
60.0602pywA0.7294.220.0990.9522.7.1.100196
70.0603fegA0.7163.820.1060.9012.7.1.82199,202
80.0601tkiA0.4633.920.0470.5862.7.11.1196
90.0602b9iA0.4654.060.0740.5962.7.11.24,2.7.1.37196
100.0602pulA0.7184.180.0830.9312.7.1.100196
110.0602excX0.4454.000.0800.5722.7.11.24,2.7.1.37196
120.0602qr8A0.4634.240.1180.6102.7.11.1202,221
130.0603c0gB0.4654.090.0860.5962.7.11.1NA
140.0602wb8A0.4623.690.0770.5752.7.11.133,35,94,196,202,213,215
150.0602zoqA0.4654.090.0980.6032.7.11.24196,215
160.0603fbvD0.4633.840.0940.5822.7.11.1,196
170.0601j7lA0.6214.020.0720.7912.7.1.95196
180.0603kn5A0.4604.580.1030.6162.7.11.133,35,97,202,213
190.0603e7oA0.4494.200.0940.5962.7.11.24196
200.0602ckpB0.6243.350.0980.7672.7.1.32196
210.0602wntB0.4594.190.0970.6032.7.11.1196
220.0602jiiB0.4664.120.0830.6202.7.11.1203

(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
00.300.7883.130.100.953i0oA GO:0000166 GO:0016740
10.280.7812.960.130.922ppqA GO:0000166 GO:0004413 GO:0005524 GO:0008652 GO:0009088 GO:0016301 GO:0016310 GO:0016740
20.280.7443.460.100.923w0sA GO:0000166 GO:0005524 GO:0016301 GO:0016310 GO:0016740 GO:0046677
30.270.7323.800.090.913atsA GO:0000166 GO:0005524 GO:0016301 GO:0016310 GO:0016740 GO:0046677 GO:0046872
40.260.7204.090.080.933hamA GO:0000166 GO:0005524 GO:0016740
50.250.7423.420.080.903mesB GO:0000166 GO:0016301 GO:0016310 GO:0046872
60.240.7194.410.100.962q83A GO:0030435 GO:0031160
70.230.7483.370.110.913fi8A GO:0000166 GO:0004103 GO:0005829 GO:0006656 GO:0006657 GO:0016301 GO:0016310 GO:0016740 GO:0033265
80.230.7133.840.070.905iqcA GO:0000166 GO:0003824 GO:0005524 GO:0005737 GO:0008080 GO:0008152 GO:0016301 GO:0016310 GO:0016740 GO:0016746 GO:0046677
90.220.7363.720.080.925afvA GO:0000166 GO:0004103 GO:0004104 GO:0004305 GO:0004871 GO:0005524 GO:0005737 GO:0005829 GO:0006580 GO:0006629 GO:0006646 GO:0006656 GO:0006657 GO:0006869 GO:0007165 GO:0008144 GO:0008654 GO:0009636 GO:0016301 GO:0016310 GO:0016740 GO:0019695 GO:0033265 GO:0042803 GO:1904681
100.220.6553.630.120.814h05B GO:0005524 GO:0016740 GO:0016773 GO:0046677
110.220.7034.050.090.904dfbB GO:0000166
120.210.7044.210.140.944pdyA GO:0016740
130.210.6983.510.090.862ckpA GO:0000166 GO:0004103 GO:0004104 GO:0004305 GO:0004871 GO:0005524 GO:0005737 GO:0005829 GO:0006580 GO:0006629 GO:0006646 GO:0006656 GO:0006657 GO:0006869 GO:0007165 GO:0008144 GO:0008654 GO:0009636 GO:0016301 GO:0016310 GO:0016740 GO:0019695 GO:0033265 GO:0042803 GO:1904681
140.210.7184.180.080.932pulA GO:0000166 GO:0005524 GO:0008652 GO:0009086 GO:0016301 GO:0016310 GO:0016740 GO:0019284 GO:0019509 GO:0046522
150.160.6874.630.100.941nw1A GO:0000166 GO:0004103 GO:0004305 GO:0005524 GO:0006629 GO:0006646 GO:0006656 GO:0006657 GO:0008654 GO:0016301 GO:0016310 GO:0016740 GO:0046872
160.150.7283.560.070.903c5iD GO:0046872
170.150.7833.200.140.944ocuA GO:0000166 GO:0016740
180.140.7453.940.090.962qg7E GO:0016301 GO:0016310
190.130.7023.330.140.863dxqA
200.110.7093.990.100.912ig7B GO:0000166 GO:0004103 GO:0004305 GO:0005524 GO:0005829 GO:0006629 GO:0006646 GO:0006656 GO:0006657 GO:0008654 GO:0016301 GO:0016310 GO:0016740 GO:0046474
210.110.6963.720.110.873csvA GO:0016740 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0016773 GO:0019202 GO:0043169
GO-Score 0.72 0.55 0.55 0.55
Biological Processes GO:0016310 GO:0046394 GO:0009067 GO:0006566 GO:0046677
GO-Score 0.62 0.55 0.55 0.55 0.47
Cellular Component
GO-Score

(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.