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I-TASSER results for job id Rv2015c

[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
10.08 4 2d8rA ZN Rep, Mult 309,314,343,346
20.06 3 1y10A CA Rep, Mult 170,171,172,206,239
30.04 2 1q68A ZN Rep, Mult 309,314
40.04 2 2c6pA UUU Rep, Mult 297,300,301,304
50.04 2 3knvA ZN Rep, Mult 309,314,324,343
60.04 2 2b51A UTP Rep, Mult 149,285,286,287,288,290
70.04 2 4yzrA HIS Rep, Mult 124,128
80.04 2 2d9hA ZN Rep, Mult 309,314,323,324
90.02 1 4f6xA MG Rep, Mult 60,346
100.02 1 3e5uC 3C4 Rep, Mult 78,81,82
110.02 1 2xquC CVM Rep, Mult 75,78
120.02 1 2oycA WO4 Rep, Mult 289,297,300
130.02 1 2q0fB U5P Rep, Mult 260,261,278,291,292,295
140.02 1 3wmnA MQ8 Rep, Mult 81,85

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
10.0662q0eA0.4984.140.0880.6152.7.7.52NA
20.0602vycA0.3476.570.0450.5484.1.1.19NA
30.0603fedA0.3497.230.0530.6033.4.17.21303
40.0603bicB0.3307.350.0340.5695.4.99.2359
50.0601d8cA0.3417.220.0400.5742.3.3.9NA
60.0603b8eC0.3356.950.0260.5483.6.3.9301,358,376
70.0601z8lA0.3706.280.0320.5653.4.17.21NA
80.0601kqfA0.3117.270.0350.5291.2.1.2NA
90.0601px5B0.3625.420.0630.4952.7.7.-NA
100.0601e6yA0.3446.870.0420.5622.8.4.1303
110.0602nomB0.3604.720.0830.4692.7.7.52NA
120.0601fdiA0.3447.530.0430.6011.2.1.2NA
130.0601y8bA0.3177.290.0470.5362.3.3.9300
140.0603l4uA0.3446.880.0300.5653.2.1.20,3.2.1.3NA
150.0601mo7A0.1755.710.0630.2493.6.3.9NA
160.0603b8eA0.3337.510.0290.5813.6.3.9NA
170.0601llwA0.3367.200.0420.5741.4.7.1NA
180.0602vdcA0.3567.100.0470.5911.4.1.13NA
190.0602cqsA0.3597.500.0500.6322.4.1.2016
200.0601dmrA0.3746.990.0520.6101.7.2.3NA

(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
00.070.6334.510.060.822b51A
10.070.4984.140.090.612q0eA GO:0000166 GO:0005524 GO:0005525 GO:0005739 GO:0046872
20.070.4694.370.100.582q0cB GO:0000166 GO:0005524 GO:0005525 GO:0005739 GO:0046872
30.060.4494.660.060.573hj1B GO:0005739 GO:0006351 GO:0050265
40.060.4444.400.050.565jnbA GO:0000166 GO:0004652 GO:0005524 GO:0005737 GO:0006397 GO:0006997 GO:0007275 GO:0009792 GO:0016740 GO:0031379 GO:0043186 GO:0043234 GO:0043631 GO:0046872 GO:0051302 GO:0051321
50.060.4164.540.040.534e7xD GO:0000166 GO:0000287 GO:0002134 GO:0003723 GO:0004652 GO:0005524 GO:0005737 GO:0005829 GO:0016740 GO:0016779 GO:0036450 GO:0046872 GO:0050265 GO:0071076
60.060.4414.610.050.574ud5B GO:0000166 GO:0000287 GO:0002134 GO:0003723 GO:0004652 GO:0005524 GO:0005737 GO:0005829 GO:0016740 GO:0016779 GO:0036450 GO:0046872 GO:0050265 GO:0071076
70.060.4214.700.070.545a2vB GO:0000287 GO:0002134 GO:0004652 GO:0005524 GO:0005739 GO:0006378 GO:0030145 GO:0042802 GO:0042803 GO:0043231 GO:0044822 GO:0071044
80.060.4284.280.060.545jnbC GO:0000166 GO:0004652 GO:0005524 GO:0005737 GO:0006397 GO:0006997 GO:0007275 GO:0009792 GO:0016740 GO:0031379 GO:0043186 GO:0043234 GO:0043631 GO:0046872 GO:0051302 GO:0051321
90.060.4064.590.070.533nybA GO:0004652 GO:0005634 GO:0005730 GO:0005829 GO:0006284 GO:0006400 GO:0007049 GO:0007067 GO:0016740 GO:0016779 GO:0031499 GO:0034459 GO:0034475 GO:0042138 GO:0043629 GO:0045910 GO:0046872 GO:0051301 GO:0051575 GO:0071031 GO:0071035 GO:0071036 GO:0071037 GO:0071038 GO:0071039 GO:0071040 GO:0071042 GO:0071044 GO:0071047 GO:0071050 GO:0071051
100.060.3604.720.080.472nomB GO:0000166 GO:0005524 GO:0005525 GO:0005739 GO:0046872
110.060.3544.590.050.453pq1A GO:0000166 GO:0000287 GO:0002134 GO:0003723 GO:0004652 GO:0005524 GO:0005737 GO:0005739 GO:0006351 GO:0006378 GO:0006397 GO:0016740 GO:0016779 GO:0030145 GO:0042802 GO:0042803 GO:0043231 GO:0044822 GO:0046872 GO:0071044
120.060.2076.340.020.323szdB GO:0006810 GO:0015288 GO:0016021 GO:0055085
130.060.1826.290.030.282h56A GO:0003824 GO:0006281 GO:0006284 GO:0008152 GO:0016798
140.060.1704.590.040.223b8mA GO:0009103 GO:0016020 GO:0016021
150.060.1866.210.030.284fq5B GO:0016853 GO:0050076
160.060.1214.960.110.162jjzC GO:0003779 GO:0005509 GO:0005737 GO:0005856 GO:0005884 GO:0005886 GO:0005925 GO:0015629 GO:0016020 GO:0032587 GO:0042995 GO:0043234 GO:0046872 GO:0051015 GO:0070062
170.060.1343.800.050.161no5B GO:0016779
180.060.1034.740.050.143p8cF GO:0003677 GO:0005737 GO:0005829 GO:0005856 GO:0006928 GO:0007010 GO:0008093 GO:0008154 GO:0016032 GO:0016477 GO:0016601 GO:0017124 GO:0018108 GO:0019900 GO:0030027 GO:0030175 GO:0031209 GO:0031625 GO:0032403 GO:0042995 GO:0048365 GO:0070064 GO:2000601


Consensus prediction of GO terms
 
Molecular Function GO:0032550 GO:0043169 GO:0032559 GO:0035639
GO-Score 0.37 0.37 0.37 0.37
Biological Processes GO:0006351 GO:0006997 GO:0051321 GO:0006397 GO:0051302 GO:0043631 GO:0009792
GO-Score 0.07 0.07 0.07 0.07 0.07 0.07 0.07
Cellular Component GO:0043231 GO:0044444
GO-Score 0.37 0.37

(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.