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I-TASSER results for job id Rv0209

[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
10.59 110 2ce7C ADP Rep, Mult 2,3,4,43,44,45,46,47,48,49,50,210,214,237,238,241
20.02 3 1ofhB PO4 Rep, Mult 42,43,44,48,108,109

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
10.2063b9pA0.5922.880.1490.6703.6.4.344,47
20.1641njgA0.4753.350.1520.5652.7.7.747,53,170
30.1151in5A0.5433.930.0980.6593.6.4.12NA
40.0671nsfA0.4963.770.0720.6123.6.4.6NA
50.0662c9oC0.5153.510.0830.6233.6.1.-NA
60.0601q16A0.4046.210.0520.6541.7.99.4NA
70.0602c4mC0.3887.090.0630.6762.4.1.153
80.0601xxiA0.4274.840.0690.5822.7.7.7235
90.0602nq5A0.3886.040.0150.5822.1.1.14NA
100.0601ciuA0.3946.410.0650.6262.4.1.19185
110.0602wwyA0.3895.670.0660.5763.6.4.1244
120.0603glfG0.5184.200.1130.6432.7.7.7NA
130.0601a5tA0.4544.490.0930.5932.7.7.745,230
140.0602zuwC0.3916.400.0440.6232.4.1.211127
150.0601ygpA0.3946.790.0470.6592.4.1.1NA
160.0601ps9A0.4526.170.0480.6981.3.1.34NA
170.0601ixsB0.5264.070.1080.6483.6.4.12NA
180.0601cgtA0.3187.500.0330.5852.4.1.19NA
190.0601cdgA0.3626.830.0550.6092.4.1.19NA
200.0603f93A0.4136.680.0620.7013.2.1.-NA
210.0609cgtA0.3197.410.0380.5792.4.1.1975,105,108,110
220.0602vsfA0.3975.980.0520.6043.6.4.1268
230.0603bq5A0.3886.360.0120.6042.1.1.14NA
240.0602qf7B0.3796.320.0540.6156.4.1.1NA

(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
00.340.8282.430.180.912dhrA GO:0000166 GO:0004222 GO:0005524 GO:0005886 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0030163 GO:0046872
10.260.6184.190.110.763j96A GO:0000166 GO:0005524 GO:0005737 GO:0006810 GO:0015031 GO:0016787 GO:0030496 GO:0046872
20.260.7413.040.170.852ce7D GO:0000166 GO:0004176 GO:0004222 GO:0005524 GO:0005886 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0030163 GO:0046872
30.230.5802.750.150.662r62A GO:0000166 GO:0004222 GO:0005524 GO:0005886 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0030163 GO:0046872
40.220.6943.590.150.804ww0B GO:0000166 GO:0004176 GO:0004222 GO:0005524 GO:0005886 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0030163 GO:0046872
50.210.6203.470.140.713kdsE GO:0000166 GO:0004176 GO:0004222 GO:0005524 GO:0005886 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0030163 GO:0046872
60.200.5442.390.140.602qz4A GO:0000166 GO:0004176 GO:0004222 GO:0005524 GO:0005739 GO:0006508 GO:0007005 GO:0007155 GO:0007399 GO:0008089 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0031966 GO:0046872 GO:0051082 GO:1904115
70.200.5683.080.150.652rkoA GO:0000166 GO:0005524 GO:0005634 GO:0005768 GO:0006810 GO:0007033 GO:0008568 GO:0010008 GO:0015031 GO:0016020 GO:0016125 GO:0016236 GO:0016887 GO:0031122 GO:0032511 GO:0042802 GO:0042803 GO:0045053 GO:0045324 GO:0051260 GO:0070676 GO:1990621
80.200.6673.650.130.785c18E GO:0000166 GO:0000502 GO:0005102 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005783 GO:0005789 GO:0005811 GO:0005829 GO:0006281 GO:0006302 GO:0006511 GO:0006734 GO:0006810 GO:0006888 GO:0006919 GO:0006974 GO:0008289 GO:0010918 GO:0016567 GO:0016787 GO:0016887 GO:0018279 GO:0019079 GO:0019903 GO:0019904 GO:0019985 GO:0030433 GO:0030968 GO:0030970 GO:0031334 GO:0031593 GO:0031625 GO:0032403 GO:0032436 GO:0034098 GO:0034214 GO:0035800 GO:0035861 GO:0036435 GO:0036503 GO:0036513 GO:0042288 GO:0042802 GO:0042981 GO:0043161 GO:0043209 GO:0043231 GO:0043234 GO:0043531 GO:0044389 GO:0044822 GO:0045184 GO:0045732 GO:0046034 GO:0048471 GO:0051260 GO:0070062 GO:0070842 GO:0070987 GO:0071712 GO:0072389 GO:1903006 GO:1903007 GO:1903715 GO:1903862 GO:1904288 GO:1990381 GO:1990730 GO:2001171
90.200.5962.780.150.683jcpH GO:0000166 GO:0000502 GO:0005524 GO:0005634 GO:0005737 GO:0006511 GO:0008540 GO:0016787 GO:0016887 GO:0017025 GO:0030163 GO:0030433 GO:0031595 GO:0031597 GO:0036402 GO:0045732 GO:0045899 GO:0070682 GO:1901800
100.200.6012.460.190.661lv7A GO:0000166 GO:0004176 GO:0004222 GO:0005524 GO:0005886 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0030145 GO:0030163 GO:0043273 GO:0046872
110.200.5692.930.120.654lcbA GO:0005524 GO:0051301
120.190.4993.980.160.632x8aA GO:0000166 GO:0005524 GO:0005634 GO:0005654 GO:0005697 GO:0005730 GO:0005739 GO:0016020 GO:0042254 GO:0044822 GO:0051973 GO:1990275
130.190.5912.310.170.653whkA GO:0000166 GO:0000502 GO:0005524 GO:0005634 GO:0005737 GO:0006511 GO:0008540 GO:0010498 GO:0016787 GO:0016887 GO:0017025 GO:0022623 GO:0030163 GO:0030433 GO:0031595 GO:0031597 GO:0036402 GO:0043335 GO:0045899 GO:0070682 GO:1901800
140.180.5274.200.090.671ofhA GO:0000166 GO:0005524 GO:0005737 GO:0006508 GO:0009376 GO:0016887 GO:0043335 GO:0070011
150.180.5842.920.140.685a5bL GO:0000166 GO:0000502 GO:0005524 GO:0005634 GO:0005737 GO:0006289 GO:0008540 GO:0016787 GO:0016887 GO:0017025 GO:0019904 GO:0030163 GO:0030433 GO:0031595 GO:0031597 GO:0032968 GO:0036402 GO:0045899 GO:0070682 GO:1901800
160.170.6113.040.130.705a5bI GO:0000166 GO:0000502 GO:0005524 GO:0005634 GO:0005737 GO:0006511 GO:0008540 GO:0016787 GO:0016887 GO:0017025 GO:0030163 GO:0030433 GO:0031503 GO:0031595 GO:0031597 GO:0036402 GO:0043171 GO:0045732 GO:0045899 GO:0070651 GO:0070682 GO:1901800
170.170.6272.140.140.683h4mA GO:0000166 GO:0000502 GO:0003924 GO:0005524 GO:0005737 GO:0008540 GO:0010498 GO:0016787 GO:0016887 GO:0017025 GO:0022623 GO:0030163 GO:0030433 GO:0031595 GO:0031597 GO:0036402 GO:0043273 GO:0043335 GO:0045899 GO:1901800
180.170.6042.430.100.663d8bA GO:0000166 GO:0000228 GO:0000287 GO:0001649 GO:0005524 GO:0005634 GO:0005737 GO:0008568 GO:0010569 GO:0016787 GO:0031122 GO:0033687 GO:0043066 GO:0046034 GO:0046872 GO:0051726 GO:0070062 GO:0071479 GO:2001243
190.160.6192.850.140.703eihA GO:0000166 GO:0005524 GO:0005634 GO:0005768 GO:0006810 GO:0007033 GO:0008568 GO:0010008 GO:0015031 GO:0016020 GO:0016125 GO:0016236 GO:0016887 GO:0031122 GO:0032511 GO:0042802 GO:0042803 GO:0045053 GO:0045324 GO:0051260 GO:0070676 GO:1990621
200.160.5922.880.150.673b9pA GO:0000022 GO:0000070 GO:0000166 GO:0000226 GO:0005524 GO:0005634 GO:0005694 GO:0005737 GO:0005811 GO:0005813 GO:0005815 GO:0005819 GO:0005856 GO:0005874 GO:0007049 GO:0007067 GO:0007079 GO:0007275 GO:0007399 GO:0007626 GO:0008017 GO:0008021 GO:0008344 GO:0008568 GO:0015630 GO:0016020 GO:0016787 GO:0016887 GO:0019226 GO:0019233 GO:0030154 GO:0031117 GO:0031122 GO:0031594 GO:0034214 GO:0035099 GO:0043014 GO:0043195 GO:0045834 GO:0045886 GO:0045887 GO:0048167 GO:0050775 GO:0050803 GO:0051013 GO:0051301 GO:1900074 GO:1900075 GO:2000331
210.160.5973.350.100.704d80F GO:0005524
220.160.5863.080.130.685a5bM GO:0000166 GO:0000502 GO:0005524 GO:0005634 GO:0005737 GO:0006511 GO:0008540 GO:0016787 GO:0016887 GO:0017025 GO:0030163 GO:0030433 GO:0031595 GO:0031597 GO:0036402 GO:0045899 GO:0070682 GO:1901800
230.160.6643.750.120.785c1aK GO:0000166 GO:0000502 GO:0005102 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005783 GO:0005789 GO:0005811 GO:0005829 GO:0006281 GO:0006302 GO:0006511 GO:0006734 GO:0006810 GO:0006888 GO:0006919 GO:0006974 GO:0008289 GO:0010918 GO:0016567 GO:0016787 GO:0016887 GO:0018279 GO:0019079 GO:0019903 GO:0019904 GO:0019985 GO:0030433 GO:0030968 GO:0030970 GO:0031334 GO:0031593 GO:0031625 GO:0032403 GO:0032436 GO:0034098 GO:0034214 GO:0035800 GO:0035861 GO:0036435 GO:0036503 GO:0036513 GO:0042288 GO:0042802 GO:0042981 GO:0043161 GO:0043209 GO:0043231 GO:0043234 GO:0043531 GO:0044389 GO:0044822 GO:0045184 GO:0045732 GO:0046034 GO:0048471 GO:0051260 GO:0070062 GO:0070842 GO:0070987 GO:0071712 GO:0072389 GO:1903006 GO:1903007 GO:1903715 GO:1903862 GO:1904288 GO:1990381 GO:1990730 GO:2001171
240.160.6003.320.120.701xwiA GO:0000166 GO:0000920 GO:0000922 GO:0005524 GO:0005634 GO:0005737 GO:0005768 GO:0005813 GO:0005829 GO:0006810 GO:0006813 GO:0006914 GO:0006997 GO:0007032 GO:0007033 GO:0007049 GO:0007080 GO:0008022 GO:0008568 GO:0010008 GO:0010824 GO:0010971 GO:0015031 GO:0016020 GO:0016197 GO:0016787 GO:0016887 GO:0019058 GO:0019076 GO:0030301 GO:0031122 GO:0031902 GO:0032510 GO:0033993 GO:0036258 GO:0039702 GO:0042623 GO:0042802 GO:0042803 GO:0043162 GO:0048524 GO:0050792 GO:0051261 GO:0051301 GO:0060548 GO:0061738 GO:0070062 GO:0090543 GO:0090611 GO:1901673 GO:1902188 GO:1903542 GO:1903543 GO:1903724 GO:1903902 GO:1904903
250.150.5264.070.110.651ixsB GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0006281 GO:0006310 GO:0006974 GO:0009378 GO:0009432 GO:0016787 GO:0032508
260.150.5823.320.150.695a5bK GO:0000166 GO:0000502 GO:0005524 GO:0005634 GO:0005737 GO:0006511 GO:0008540 GO:0016787 GO:0016887 GO:0017025 GO:0030163 GO:0030433 GO:0031595 GO:0031597 GO:0036402 GO:0042802 GO:0045899 GO:0070682 GO:1901800
270.150.5433.930.100.661in5A GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0006281 GO:0006310 GO:0006974 GO:0009378 GO:0009432 GO:0016787 GO:0032508
280.140.5953.020.130.684l15A GO:0000166 GO:0000287 GO:0005524 GO:0005634 GO:0007049 GO:0007067 GO:0008017 GO:0008568 GO:0010569 GO:0016787 GO:0016887 GO:0031122 GO:0045931 GO:0046034 GO:0046872 GO:0051301
290.140.5133.990.090.643hwsA GO:0000166 GO:0004176 GO:0005524 GO:0005759 GO:0005829 GO:0006457 GO:0006508 GO:0008270 GO:0016032 GO:0016887 GO:0030163 GO:0042802 GO:0043335 GO:0046872 GO:0046983 GO:0051082 GO:0051301 GO:0051704
300.130.5033.650.090.623uk6F GO:0000166 GO:0000812 GO:0000979 GO:0000980 GO:0001094 GO:0003678 GO:0004003 GO:0004386 GO:0005524 GO:0005622 GO:0005634 GO:0005654 GO:0005719 GO:0005737 GO:0006281 GO:0006310 GO:0006338 GO:0006351 GO:0006355 GO:0006457 GO:0006974 GO:0016020 GO:0016363 GO:0016568 GO:0016787 GO:0016887 GO:0030529 GO:0031011 GO:0031490 GO:0032508 GO:0034644 GO:0035066 GO:0035267 GO:0040008 GO:0042802 GO:0042803 GO:0043141 GO:0043531 GO:0043967 GO:0043968 GO:0045944 GO:0051082 GO:0051117 GO:0070062 GO:0071169 GO:0071339 GO:0071392 GO:0071733 GO:0071899 GO:0097255 GO:1904874
310.120.5712.760.120.643vfdA GO:0000166 GO:0000281 GO:0001578 GO:0003824 GO:0005524 GO:0005634 GO:0005737 GO:0005768 GO:0005783 GO:0005789 GO:0005811 GO:0005813 GO:0005815 GO:0005819 GO:0005856 GO:0005874 GO:0006888 GO:0007049 GO:0007275 GO:0007399 GO:0007409 GO:0008017 GO:0008089 GO:0008152 GO:0008568 GO:0010458 GO:0015630 GO:0016020 GO:0016787 GO:0019896 GO:0030154 GO:0030496 GO:0031117 GO:0031122 GO:0031410 GO:0031468 GO:0031965 GO:0032467 GO:0032506 GO:0034214 GO:0043014 GO:0048471 GO:0048487 GO:0051013 GO:0051228 GO:0051260 GO:0051301 GO:0070062 GO:0090148 GO:1904115
320.090.5672.970.120.654lgmA GO:0000166 GO:0005524
330.070.4953.940.110.623sykA GO:0000166 GO:0005524
340.070.5284.040.100.661im2A GO:0000166 GO:0005524 GO:0005737 GO:0006508 GO:0009376 GO:0016887 GO:0043335 GO:0070011
350.070.5832.860.130.665a5bJ GO:0000166 GO:0000502 GO:0005524 GO:0005634 GO:0005737 GO:0006289 GO:0006338 GO:0008540 GO:0016787 GO:0016887 GO:0017025 GO:0019904 GO:0030163 GO:0030433 GO:0031595 GO:0032968 GO:0034515 GO:0036402 GO:0043161 GO:0043433 GO:0045899 GO:0051091 GO:0070651 GO:0070682 GO:1901800
360.070.4953.770.090.613hteE GO:0000166 GO:0004176 GO:0005524 GO:0005759 GO:0005829 GO:0006457 GO:0006508 GO:0008270 GO:0016032 GO:0016887 GO:0030163 GO:0042802 GO:0043335 GO:0046872 GO:0046983 GO:0051082 GO:0051301 GO:0051704
370.070.5114.060.090.641g3iA GO:0000166 GO:0005524 GO:0005737 GO:0006508 GO:0009376 GO:0016887 GO:0043335 GO:0070011
380.070.5624.340.070.731sxjA GO:0000166 GO:0000278 GO:0003677 GO:0003689 GO:0005524 GO:0005634 GO:0005663 GO:0006260 GO:0006272 GO:0006281 GO:0006298 GO:0007049 GO:0051301


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0008270 GO:0004222 GO:0004176
GO-Score 0.79 0.71 0.71 0.43
Biological Processes GO:0030163 GO:0006508 GO:0045184 GO:0071702
GO-Score 0.71 0.71 0.53 0.53
Cellular Component GO:0016021 GO:0005886 GO:0044424
GO-Score 0.71 0.71 0.53

(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.