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I-TASSER results for job id Rv3916c

[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
10.33 36 1gheA ACO Rep, Mult 23,108,109,110,111,112,113,118,119,121,122,123,124,144,145,146,182,184,185,186,188
20.03 3 3p2hA NOO Rep, Mult 35,108,109,110,111,112,142,143,144,145,146,147,182,203
30.02 2 2j8mB AZI Rep, Mult 190,192,204,205,206
40.01 1 2j8rA AZI Rep, Mult 81,110,112
50.01 1 3j0oK NUC Rep, Mult 202,204,205
60.01 1 2j8rA AZI Rep, Mult 46,49,81,110,112
70.01 1 2b0qA MG Rep, Mult 173,188
80.01 1 1vs0A MG Rep, Mult 27,29
90.01 1 1yklG DHB Rep, Mult 80,86
100.01 1 2pdoB ZN Rep, Mult 11,14,15
110.01 1 1icuD NIO Rep, Mult 44,143
120.01 1 3t1gA ZN Rep, Mult 41,45
130.01 1 2j8mB AZI Rep, Mult 16,20,53,81
140.01 1 2cjaB MG Rep, Mult 204,206

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
10.1882cntD0.4932.680.1360.5742.3.1.128108,147,183,191
20.1411qsmD0.5072.960.1000.5982.3.1.48189
30.0671q2yA0.4642.640.0980.5372.3.1.-NA
40.0662jevB0.4903.290.0740.6072.3.1.57108,185
50.0661yghA0.4743.510.0680.5902.3.1.48108
60.0661cm0A0.4693.050.0570.5702.3.1.48108
70.0661i1dD0.4623.560.0760.5822.3.1.4NA
80.0602z11A0.4943.740.0560.6392.3.1.128NA
90.0601k4jA0.4693.750.0640.6112.3.1.184NA
100.0601yleA0.5644.210.0600.7792.3.1.10928,109
110.0603d2pB0.4573.220.1260.5532.3.1.1NA
120.0602vqyA0.5353.820.1000.6932.3.1.82122
130.0602p0wA0.4533.980.0860.5942.3.1.48NA
140.0603igrA0.5163.660.1010.6522.3.1.128117,144,191
150.0602beiB0.4793.030.1230.5742.3.1.5784,127,144
160.0601z4rA0.4683.130.0570.5662.3.1.48108
170.0601nmtA0.4783.750.0860.6192.3.1.97113,127,146
180.0602o28A0.4523.670.0610.5822.3.1.4185
190.0603d3sA0.4773.000.1140.5742.3.1.178NA
200.0602nsmA0.4335.480.0530.6973.4.17.3NA
210.0602boaA0.4235.380.0470.6473.4.17.-NA
220.0602vezA0.4593.510.0900.5742.3.1.4185
230.0601ro5A0.5233.700.0950.6642.3.1.184206
240.0602r8vA0.4643.130.1310.5612.3.1.1NA
250.0602c1cA0.4245.320.0600.6473.4.17.2NA
260.0601iykA0.4773.730.0860.6152.3.1.97NA

(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
00.210.5153.090.120.624mbuA GO:0008080 GO:0016740
10.180.5243.000.130.622ge3A GO:0008080 GO:0016740
20.170.4793.370.060.594yfjB GO:0008080 GO:0016740
30.170.5333.380.120.652qecA GO:0008080 GO:0016740
40.160.4803.330.100.592euiA GO:0004596 GO:0006474 GO:0008080 GO:0016740 GO:0031248
50.150.4863.280.090.595f47B GO:0008080
60.150.6022.920.100.711b87A GO:0008080
70.120.5503.830.080.712refA GO:0003824 GO:0008080 GO:0008152 GO:0016740 GO:0031177
80.120.4853.040.120.582beiB GO:0004145 GO:0005737 GO:0008080 GO:0009447 GO:0016740 GO:0016746 GO:0032918 GO:0032919 GO:0032920 GO:0046204 GO:0070062
90.120.4833.370.110.602q0yA GO:0008080 GO:0016740 GO:0046872
100.120.4943.900.090.651u6mA GO:0008080 GO:0016740
110.110.5103.200.080.621wwzA GO:0008080
120.110.4873.470.080.614e0aA GO:0008080
130.100.4803.150.090.581z4eA GO:0008080
140.100.4962.970.090.592ob0C GO:0004596 GO:0005737 GO:0006474 GO:0008080 GO:0010485 GO:0016740 GO:0016746 GO:0031415 GO:0043967 GO:0052858 GO:0070062 GO:0071962
150.100.3625.320.070.583o4sA GO:0004721 GO:0004725 GO:0005737 GO:0005829 GO:0005856 GO:0006470 GO:0009898 GO:0016311 GO:0016787 GO:0016791 GO:0035335
160.090.4842.820.100.573pp9A GO:0008080 GO:0016740 GO:0046677
170.070.4942.320.100.563blnA GO:0008080
180.070.5153.320.100.644e2aB GO:0008080 GO:0016740
190.070.5072.960.100.601qsmD GO:0004402 GO:0008080 GO:0016568 GO:0016573 GO:0016740 GO:0016746 GO:0042802 GO:0042803 GO:0051289
200.070.5023.200.110.621vhsA GO:0004596 GO:0006474 GO:0008080 GO:0009635 GO:0016740 GO:0016746 GO:0031248 GO:0046677
210.070.4893.310.110.613d8pB GO:0008080
220.070.5704.510.130.804ksaA GO:0006633 GO:0016829 GO:0050080
230.070.5784.360.100.802ygwA GO:0002931 GO:0005102 GO:0005737 GO:0005739 GO:0005759 GO:0005777 GO:0005782 GO:0006085 GO:0006629 GO:0006631 GO:0006633 GO:0006637 GO:0010906 GO:0016829 GO:0016831 GO:0046321 GO:0050080 GO:2001294
240.070.4602.670.150.541yvkA GO:0004596 GO:0006474 GO:0008080 GO:0016740 GO:0016746 GO:0031248
250.070.5844.290.100.804ksfA GO:0006633 GO:0050080
260.070.5724.530.140.804ks9B GO:0006633 GO:0016829 GO:0050080
270.070.5644.490.110.804f0xA GO:0002931 GO:0005102 GO:0005737 GO:0005739 GO:0005759 GO:0005777 GO:0005782 GO:0006085 GO:0006629 GO:0006631 GO:0006633 GO:0006637 GO:0010906 GO:0016829 GO:0016831 GO:0046321 GO:0050080 GO:2001294
280.070.4753.420.110.592fe7B GO:0008080 GO:0016740
290.070.4503.400.080.551bo4A GO:0008080 GO:0016740
300.060.3505.750.030.583jcrB GO:0000166 GO:0000398 GO:0003924 GO:0005525 GO:0005634 GO:0005654 GO:0005681 GO:0005737 GO:0006397 GO:0006412 GO:0008380 GO:0015030 GO:0016020 GO:0016607 GO:0031012 GO:0035690 GO:0042220 GO:0044822 GO:0071013
310.060.3045.760.030.523v3kA GO:0004197 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0006508 GO:0006915 GO:0006919 GO:0006974 GO:0007568 GO:0008047 GO:0008233 GO:0008234 GO:0008630 GO:0008635 GO:0009411 GO:0014070 GO:0016787 GO:0017124 GO:0019901 GO:0030220 GO:0032025 GO:0032355 GO:0032496 GO:0034349 GO:0034644 GO:0042770 GO:0042981 GO:0043065 GO:0043293 GO:0043525 GO:0046677 GO:0071407 GO:0071549 GO:0097153 GO:0097192 GO:2001020
320.060.3755.930.040.644xpqA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246
330.060.3175.310.050.492a3kA GO:0004721 GO:0004725 GO:0005737 GO:0005829 GO:0005856 GO:0006470 GO:0009898 GO:0016311 GO:0016787 GO:0016791 GO:0035335
340.060.2796.430.040.514p0gA GO:0000270 GO:0008933 GO:0009279 GO:0016020 GO:0016829 GO:0016837 GO:0016998 GO:0071555
350.060.3166.030.040.544qyzI GO:0003723 GO:0043234 GO:0051607 GO:0071667
360.060.3035.170.040.472btpA GO:0005737 GO:0005739 GO:0005829 GO:0005925 GO:0006605 GO:0007264 GO:0008022 GO:0016020 GO:0019904 GO:0021762 GO:0030659 GO:0034766 GO:0043234 GO:0044325 GO:0045892 GO:0047485 GO:0061024 GO:0070062 GO:0071889 GO:1900740
370.060.2745.800.070.461vqtA GO:0003824 GO:0004590 GO:0005829 GO:0006207 GO:0006221 GO:0008152 GO:0016829 GO:0016831 GO:0044205


Consensus prediction of GO terms
 
Molecular Function GO:0034212
GO-Score 0.33
Biological Processes GO:0031365 GO:0006473
GO-Score 0.33 0.33
Cellular Component GO:1902493 GO:0044424
GO-Score 0.33 0.33

(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.