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I-TASSER results for job id Rv2165c

[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
10.70 14 1m6yB SAH Rep, Mult 65,96,97,98,99,101,102,103,120,121,122,125,145,146,147,171,173,175,178,198
20.04 1 3tkaA CTN Rep, Mult 209,213,217,283
30.03 1 1o05B NA Rep, Mult 220,226,231
40.03 1 1o05C NA Rep, Mult 95,104,107,108,118,140

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
10.0601qanA0.3703.790.0710.4392.1.1.48NA
20.0601wnbA0.3586.520.0440.5611.2.1.19,1.2.1.8287
30.0601ipeB0.3694.420.0830.4651.1.1.236105,173
40.0601djnA0.3635.800.0490.5231.5.8.2,1.5.99.7NA
50.0601gnxA0.3486.650.0690.5533.2.1.21NA
60.0601susD0.3953.820.0910.4802.1.1.104NA
70.0602ix4A0.3366.100.0610.5052.3.1.41NA
80.0601pjbA0.3734.830.0620.4771.4.1.1NA
90.0601l2aE0.3467.330.0490.6013.2.1.4173,367
100.0601wndA0.3526.400.0550.5611.2.1.19NA
110.0601skaA0.3426.650.0330.5433.1.3.8109
120.0601ay4A0.3425.110.1280.4602.6.1.57171
130.0602tmdA0.3645.700.0490.5201.5.8.299
140.0601p0fA0.3455.310.0690.4751.1.1.2NA
150.0602qnoA0.3387.540.0710.6043.2.1.4148
160.0601ri1A0.3873.280.1180.4502.1.1.56120
170.0601gu7A0.3435.400.0990.4771.3.1.38,1.3.1.10NA
180.0601qwoA0.3356.670.0240.5453.1.3.8NA
190.0601qhoA0.3586.980.0380.6043.2.1.133127

(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
00.110.4142.750.170.463eeyA GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
10.060.4193.540.130.492hnkB GO:0008168 GO:0008171 GO:0016740 GO:0032259
20.060.4093.480.130.483duwA GO:0008168 GO:0008171 GO:0016740 GO:0032259
30.060.4104.280.100.514ckcD GO:0000166 GO:0003723 GO:0003824 GO:0004482 GO:0004484 GO:0004651 GO:0005525 GO:0006351 GO:0006353 GO:0006355 GO:0006370 GO:0006397 GO:0008152 GO:0008168 GO:0016740 GO:0016779 GO:0016787 GO:0019012 GO:0032259 GO:0036265 GO:0046872 GO:0050355 GO:0098507
40.060.3993.790.110.481suiA GO:0008168 GO:0008171 GO:0009699 GO:0009809 GO:0016740 GO:0032259 GO:0042409 GO:0046872
50.060.3974.090.100.493bkxA GO:0008168 GO:0016740 GO:0032259
60.060.4013.800.090.484pneB GO:0008152 GO:0008168 GO:0016740 GO:0032259
70.060.4063.670.150.483tr6A GO:0008168 GO:0008171 GO:0016740 GO:0032259
80.060.4073.580.130.474pcaA GO:0008168 GO:0008171 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
90.060.3894.280.100.483vc1D GO:0008152 GO:0008168 GO:0008169 GO:0008757 GO:0016740 GO:0032259 GO:0042214
100.060.4123.280.110.474p7kA GO:0000287 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006584 GO:0007565 GO:0007612 GO:0007614 GO:0008168 GO:0008171 GO:0008210 GO:0009712 GO:0014070 GO:0016020 GO:0016021 GO:0016036 GO:0016206 GO:0016740 GO:0030424 GO:0030425 GO:0032259 GO:0032496 GO:0032502 GO:0035814 GO:0042135 GO:0042417 GO:0042420 GO:0042493 GO:0043197 GO:0044297 GO:0045211 GO:0045963 GO:0046498 GO:0046500 GO:0046872 GO:0048265 GO:0048609 GO:0048662 GO:0050668 GO:0051930 GO:0070062
110.060.4043.390.140.472avdA GO:0005739 GO:0008168 GO:0008171 GO:0016020 GO:0016021 GO:0016740 GO:0032259
120.060.4072.720.120.454xucA GO:0000287 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006584 GO:0007565 GO:0007612 GO:0007614 GO:0008168 GO:0008171 GO:0008210 GO:0009712 GO:0014070 GO:0016020 GO:0016021 GO:0016036 GO:0016206 GO:0016740 GO:0030424 GO:0030425 GO:0032259 GO:0032496 GO:0032502 GO:0035814 GO:0042135 GO:0042417 GO:0042420 GO:0042493 GO:0043197 GO:0044297 GO:0045211 GO:0045963 GO:0046872 GO:0048265 GO:0048609 GO:0048662 GO:0050668 GO:0051930 GO:0070062
130.060.4043.490.150.473cbgA GO:0008168 GO:0008171 GO:0016740 GO:0032259 GO:0046872
140.060.4013.810.130.484ymgB GO:0008171 GO:0032259 GO:0046872 GO:0051536 GO:0051539
150.060.4053.560.110.473c3yA GO:0008168 GO:0008171 GO:0016740 GO:0032259 GO:0042409 GO:0046872
160.060.4053.650.090.483bgvB GO:0003723 GO:0004482 GO:0005634 GO:0005654 GO:0005730 GO:0005845 GO:0006366 GO:0006370 GO:0006397 GO:0008168 GO:0016740 GO:0032259 GO:0036265 GO:0043235
170.060.4093.680.150.483tfwA GO:0008168 GO:0008171 GO:0016740 GO:0032259
180.060.3993.440.080.464iv8A GO:0000234 GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539


Consensus prediction of GO terms
 
Molecular Function GO:0043169 GO:0008168
GO-Score 0.45 0.32
Biological Processes GO:0032259
GO-Score 0.32
Cellular Component GO:0019012
GO-Score 0.07

(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.