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I-TASSER results for job id Rv0293c

[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
10.24 17 1orwC P2Y Rep, Mult 176,265,266,290,301,306,377
20.09 6 2hu5A UUU Rep, Mult 177,265,266,293,296,305,351,377
30.06 4 2bucC UUU Rep, Mult 232,234,235,239,273,324,327,328,334
40.04 3 3i6yA CL Rep, Mult 177,179,265,266
50.03 2 3ivmA ZPR Rep, Mult 174,191,202,262,264,288,377,387,391
60.01 1 3fytC XYP Rep, Mult 174,180,181,182,188
70.01 1 3azqA III Rep, Mult 61,265,266,290,296,351

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
10.4293fcyA0.6343.450.1730.7453.1.1.41265,350,377
20.2502ocgA0.4893.280.1540.5603.1.-.-261,265,267,350,358,370,377
30.1493hjuA0.5133.600.1380.5953.1.1.23211
40.1261l7aA0.6583.160.1310.7573.1.1.72,3.1.1.41350
50.0743fcxB0.5353.610.0990.6323.1.2.12135
60.0671dinA0.4543.020.1410.5203.1.1.45173,249
70.0673c6bA0.5243.800.1350.6273.1.2.12NA
80.0672vf2A0.5023.460.1760.5833.7.1.8211,216,266
90.0661u2eA0.5043.590.1600.5883.7.1.-265
100.0661vkhA0.4773.030.0830.5453.5.1.9177
110.0661jjfA0.4593.140.1400.5303.2.1.8180,187
120.0661j1iA0.4633.340.1470.5323.7.1.8265
130.0601jjiA0.5333.810.1080.6303.1.1.1385
140.0601k4yA0.5264.590.0970.6653.1.1.1NA
150.0601f6wA0.5414.140.1230.6623.1.1.13,3.1.1.3NA
160.0601thgA0.5314.140.0800.6553.1.1.3272
170.0602gbcA0.6073.870.0940.7283.4.14.5,3.4.15.5265,377
180.0602ecfA0.6073.790.1190.7283.4.14.5350,377
190.0601yr2A0.5893.820.1120.7003.4.21.26265
200.0601hlgB0.5393.920.1390.6423.1.1.3281
210.0601gz7A0.5314.330.0840.6623.1.1.3NA
220.0601b41A0.5314.310.0780.6653.1.1.7NA
230.0601crlA0.5304.320.0730.6603.1.1.3NA
240.0602fj0A0.5334.230.1260.6573.1.1.1NA
250.0601aknA0.5414.440.1070.6773.1.1.13,3.1.1.3NA
260.0603i6yA0.5293.680.1190.6303.1.1.2NA
270.0601maaD0.5334.200.0920.6553.1.1.7NA
280.0603g0bB0.6094.020.0930.7353.4.14.5342
290.0602c7bA0.5403.400.1280.6253.1.1.1NA
300.0601vlqA0.6423.360.1020.7503.1.1.41350,377
310.0603fvrA0.6553.210.1410.7573.1.1.6NA

(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
00.250.6553.210.140.763fvrA GO:0008126 GO:0016787
10.220.6583.160.130.761l7aA GO:0000272 GO:0005737 GO:0005975 GO:0016787 GO:0030245 GO:0046555 GO:0047739 GO:0052689
20.210.5003.820.100.592r11D GO:0016787 GO:0052689
30.200.6203.800.120.743o4jC GO:0005737 GO:0006508 GO:0008236 GO:0016787
40.200.4732.650.140.532o2gA GO:0016787
50.170.4622.910.160.524q3kB GO:0006508 GO:0008152 GO:0008236 GO:0016787
60.160.4843.750.110.574ns4A GO:0016787 GO:0016788
70.150.4783.580.110.574g8bA GO:0003824 GO:0016787 GO:0016788
80.150.4753.480.130.563e3aB GO:0003824 GO:0004601 GO:0009062 GO:0016298 GO:0016491 GO:0055114 GO:0098869
90.140.5043.520.100.594ccyB GO:0005737 GO:0016787 GO:0052689
100.140.4683.430.140.551q0rA GO:0016787 GO:0017000 GO:0052689
110.130.4633.340.150.531j1iA GO:0016787
120.110.4643.550.150.543qitB GO:0003824 GO:0008152 GO:0016740 GO:0031177
130.090.6573.600.140.773azoA GO:0004177 GO:0006508 GO:0008236
140.090.5893.520.100.695hfnD GO:0000272 GO:0005509 GO:0005737 GO:0005975 GO:0005976 GO:0008152 GO:0016787 GO:0030245 GO:0046555 GO:0046872 GO:0047739 GO:0052689
150.080.4803.640.140.564lxhA GO:0016787
160.080.4633.100.150.532xuaH GO:0016787 GO:0042952 GO:0047570
170.070.6043.850.130.721xfdA GO:0005886 GO:0006508 GO:0008076 GO:0008236 GO:0008239 GO:0009986 GO:0015459 GO:0016020 GO:0016021 GO:0043025 GO:0043268 GO:0070062 GO:0072659 GO:1901379
180.070.6413.420.100.753m83A GO:0000272 GO:0005509 GO:0005737 GO:0005975 GO:0005976 GO:0008152 GO:0016787 GO:0030245 GO:0046555 GO:0046872 GO:0047739 GO:0052689
190.070.6343.650.120.754amyA GO:0004252 GO:0005737 GO:0006508 GO:0008233 GO:0008236 GO:0016787 GO:0070008
200.070.4872.970.180.561mt3A GO:0004177 GO:0006508 GO:0008233 GO:0016787
210.070.6303.700.110.744hxgF GO:0006508 GO:0008236 GO:0046872
220.070.6273.750.120.752bklB GO:0004252 GO:0006508 GO:0008236 GO:0070008
230.070.5373.640.100.643e4dA GO:0016787 GO:0018738 GO:0046294 GO:0046872 GO:0052689
240.070.6343.450.170.743fcyA
250.070.6163.560.110.722d5lA GO:0004177 GO:0006508 GO:0008233 GO:0008236 GO:0016787
260.070.6313.650.110.743munA GO:0004252 GO:0006508 GO:0008236 GO:0070008
270.070.6073.790.120.732ecfA GO:0006508 GO:0008236
280.070.6084.150.110.741z68A GO:0001525 GO:0002020 GO:0004175 GO:0004222 GO:0004252 GO:0005178 GO:0005576 GO:0005615 GO:0005737 GO:0005886 GO:0005925 GO:0006508 GO:0006915 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0009986 GO:0010710 GO:0010716 GO:0016020 GO:0016021 GO:0016787 GO:0030027 GO:0030054 GO:0031258 GO:0032587 GO:0042803 GO:0042995 GO:0043542 GO:0045177 GO:0045178 GO:0046983 GO:0051603 GO:0051917 GO:0060244 GO:0071158 GO:0071438 GO:0071850 GO:0097325 GO:1900119 GO:1902362 GO:1903054
290.070.6094.050.100.732aj8A GO:0001618 GO:0001662 GO:0001666 GO:0002020 GO:0004177 GO:0004252 GO:0005102 GO:0005576 GO:0005765 GO:0005886 GO:0005925 GO:0006508 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0008284 GO:0009986 GO:0010716 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0030027 GO:0030054 GO:0030139 GO:0031258 GO:0031295 GO:0033632 GO:0035641 GO:0036343 GO:0042110 GO:0042802 GO:0042803 GO:0042995 GO:0043542 GO:0045121 GO:0046581 GO:0046718 GO:0070062 GO:0071438
300.070.6073.870.090.732gbcA GO:0002020 GO:0002709 GO:0004177 GO:0004252 GO:0005102 GO:0005518 GO:0005576 GO:0005783 GO:0005794 GO:0005886 GO:0006508 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0008284 GO:0009986 GO:0010716 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0030027 GO:0030054 GO:0030139 GO:0031258 GO:0031295 GO:0042277 GO:0042803 GO:0042995 GO:0043542 GO:0045121 GO:0051234 GO:0071438
310.070.6123.660.100.724q1vA GO:0006508 GO:0008236 GO:0016787 GO:0046872
320.070.6053.910.100.734n8eB GO:0001618 GO:0001662 GO:0001666 GO:0002020 GO:0004177 GO:0004252 GO:0005102 GO:0005576 GO:0005765 GO:0005886 GO:0005925 GO:0006508 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0008284 GO:0009986 GO:0010716 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0030027 GO:0030054 GO:0030139 GO:0031258 GO:0031295 GO:0033632 GO:0035641 GO:0036343 GO:0042110 GO:0042802 GO:0042803 GO:0042995 GO:0043542 GO:0045121 GO:0046581 GO:0046718 GO:0070062 GO:0071438
330.070.5023.460.180.582vf2A GO:0005618 GO:0005886 GO:0006629 GO:0006694 GO:0016042 GO:0016787 GO:0018774 GO:0019439 GO:0034820 GO:0044117 GO:0102296
340.070.5983.850.100.724wjlB GO:0005886 GO:0006508 GO:0008236 GO:0008239 GO:0015459 GO:0016020 GO:0016021 GO:0072659 GO:0090004 GO:1901379
350.070.5124.000.100.624mj3B GO:0003824 GO:0016787 GO:0018786
360.070.4643.110.140.533kxpA GO:0016787 GO:0042803 GO:0042820 GO:0047411
370.070.4963.360.120.583wi7A GO:0016787 GO:0018786
380.070.5043.590.160.591u2eA GO:0003824 GO:0005737 GO:0016787 GO:0018771 GO:0019380 GO:0019439 GO:0019622 GO:0042803 GO:0052823
390.070.4742.920.150.543om8B GO:0016787 GO:0042952 GO:0047570
400.070.4963.620.130.584i3fA GO:0016787
410.070.4713.390.090.553wzlA GO:0016787
420.070.4923.340.120.571c4xA GO:0016787 GO:0018774
430.070.5003.630.170.592og1A GO:0003824 GO:0016787 GO:0016823 GO:0018771 GO:0018774 GO:0019439
440.070.4873.600.130.584k2aC GO:0003824 GO:0016787 GO:0018786
450.070.4843.260.130.563wmrA GO:0006508 GO:0008233 GO:0016787
460.070.4933.750.160.584b9aA GO:0003824 GO:0009062 GO:0016298 GO:0016787
470.070.5073.650.100.594f0jA GO:0003824 GO:0016787
480.070.5064.330.150.624opmA GO:0004806 GO:0016787
490.070.4783.690.140.574io0A GO:0003824 GO:0008152 GO:0016787 GO:0016798 GO:0047405
500.070.4833.870.130.593sk0A GO:0003824 GO:0009636 GO:0016787 GO:0018786
510.070.4953.330.150.571azwA GO:0004177 GO:0005737 GO:0006508 GO:0008233 GO:0016787
520.070.4753.390.120.551hkhA GO:0003824 GO:0004601 GO:0098869
530.070.4703.250.140.541a8sA GO:0003824 GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
540.070.4663.390.120.544pw0A GO:0016787
550.070.4543.590.130.532xmzA GO:0009234 GO:0016787 GO:0016829 GO:0070205


Consensus prediction of GO terms
 
Molecular Function GO:0034338 GO:0019213 GO:0017171 GO:0070011
GO-Score 0.49 0.44 0.41 0.41
Biological Processes GO:0030243 GO:0051275 GO:0019538
GO-Score 0.44 0.44 0.41
Cellular Component GO:0005737
GO-Score 0.38

(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.