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I-TASSER results for job id Rv2787

[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
10.13 7 3ea0B ATP Rep, Mult 326,329,330,331,332,333,334,335,363,368,441,499,500,528,529,530,531,533
20.09 5 1l5rA 700 Rep, Mult 336,339,340,343,464,497
30.05 3 1c50A CHI Rep, Mult 336,340,522,528
40.05 3 3q9lA ATP Rep, Mult 328,329,468
50.04 2 1z62A IAA Rep, Mult 324,338,356,358
60.04 2 3dd1A 25D Rep, Mult 338,340,344
70.04 2 3cejB AVF Rep, Mult 440,441,442,443,446
80.02 1 1exvB 700 Rep, Mult 464,474,478
90.02 1 1p2bA GLC Rep, Mult 338,339,341,342,352,354
100.02 1 3bd7A CKB Rep, Mult 466,471,472,473
110.02 1 1l5qA CFF Rep, Mult 344,347,349,350

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
10.0602r4uA0.3476.430.0790.4992.4.1.21474,513
20.0602zuwC0.3447.460.0530.5432.4.1.211480
30.0602q1fA0.3387.930.0580.5574.2.2.21NA
40.0603hhsB0.3377.570.0380.5401.14.18.1NA
50.0602c4mC0.3837.610.0450.6012.4.1.1NA
60.0601cp2A0.3543.740.1150.4091.18.6.1328,333
70.0601ygpA0.3936.940.0440.5862.4.1.1NA
80.0601de0A0.3583.680.1420.4121.18.6.1328,333
90.0601ahpA0.3906.860.0610.5782.4.1.1NA
100.0601iexA0.3597.440.0390.5663.2.1.58NA
110.0602nq5A0.3927.650.0420.6302.1.1.14NA
120.0601gz5A0.3626.320.0650.5092.4.1.15NA
130.0601ofdA0.4257.770.0390.6921.4.7.1NA
140.0601e1yA0.3906.990.0540.5862.4.1.1NA
150.0602qllA0.3877.430.0480.6032.4.1.1NA
160.0602vdcA0.3947.830.0480.6511.4.1.13NA
170.0603bq5A0.4037.690.0390.6562.1.1.14NA
180.0603f93A0.3677.390.0440.5693.2.1.-540
190.0601k32A0.3508.170.0500.5843.4.21.-NA

(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
00.070.4376.410.070.634xifA GO:0000123 GO:0000791 GO:0001933 GO:0001934 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006041 GO:0006110 GO:0006486 GO:0006493 GO:0006915 GO:0007165 GO:0007584 GO:0008047 GO:0008134 GO:0008289 GO:0008375 GO:0010628 GO:0010801 GO:0016020 GO:0016262 GO:0016568 GO:0016740 GO:0016757 GO:0019904 GO:0030854 GO:0030900 GO:0031397 GO:0032868 GO:0032869 GO:0032922 GO:0033137 GO:0035020 GO:0042277 GO:0042588 GO:0043005 GO:0043025 GO:0043085 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0045793 GO:0045862 GO:0045944 GO:0046626 GO:0046972 GO:0048015 GO:0048029 GO:0048312 GO:0048511 GO:0051571 GO:0060548 GO:0061087 GO:0070207 GO:0070208 GO:0070688 GO:0071222 GO:0071300 GO:0071333 GO:0080182 GO:0090315 GO:0090526 GO:0097237 GO:0097363 GO:1900038 GO:1900182 GO:1903428
10.070.4406.790.040.654wxxB GO:0000122 GO:0000792 GO:0003677 GO:0003682 GO:0003690 GO:0003723 GO:0003886 GO:0005634 GO:0005654 GO:0005657 GO:0005721 GO:0005737 GO:0006306 GO:0006351 GO:0006355 GO:0007265 GO:0007420 GO:0007568 GO:0008168 GO:0008270 GO:0008327 GO:0009008 GO:0009408 GO:0009636 GO:0010033 GO:0010212 GO:0010216 GO:0010288 GO:0010424 GO:0010468 GO:0010628 GO:0014823 GO:0016458 GO:0016568 GO:0016740 GO:0019904 GO:0030182 GO:0030331 GO:0031000 GO:0031667 GO:0032259 GO:0032355 GO:0032496 GO:0032776 GO:0033189 GO:0033574 GO:0036120 GO:0036276 GO:0042127 GO:0042493 GO:0042826 GO:0043025 GO:0043234 GO:0044026 GO:0045322 GO:0045471 GO:0045814 GO:0045892 GO:0046498 GO:0046499 GO:0046500 GO:0046872 GO:0051571 GO:0051573 GO:0051718 GO:0071230 GO:0071284 GO:0071560 GO:0090116 GO:0090309 GO:1990090 GO:1990841
20.070.4406.690.070.645a01A GO:0006486 GO:0006493 GO:0008375 GO:0016740 GO:0016757 GO:0035220 GO:0045475
30.060.4086.950.090.602jlbA GO:0046872
40.060.4416.910.040.663av4A GO:0000122 GO:0000183 GO:0000792 GO:0003677 GO:0003682 GO:0003690 GO:0003723 GO:0003824 GO:0003886 GO:0005634 GO:0005654 GO:0005657 GO:0005721 GO:0005737 GO:0006306 GO:0006351 GO:0006355 GO:0007265 GO:0007420 GO:0007568 GO:0008152 GO:0008168 GO:0008270 GO:0008327 GO:0009008 GO:0009408 GO:0009636 GO:0010033 GO:0010212 GO:0010216 GO:0010288 GO:0010424 GO:0010468 GO:0010628 GO:0014823 GO:0016458 GO:0016568 GO:0016740 GO:0019904 GO:0030182 GO:0030331 GO:0031000 GO:0031667 GO:0032259 GO:0032355 GO:0032496 GO:0032776 GO:0033189 GO:0033574 GO:0036120 GO:0036276 GO:0042127 GO:0042493 GO:0042826 GO:0043025 GO:0043045 GO:0043234 GO:0044026 GO:0045322 GO:0045471 GO:0045892 GO:0046498 GO:0046499 GO:0046500 GO:0046872 GO:0051571 GO:0051573 GO:0051718 GO:0071230 GO:0071284 GO:0071560 GO:0090116 GO:0090309 GO:1990090 GO:1990841
50.060.3867.020.040.573q3eA GO:0000166
60.060.3745.660.080.505a31C GO:0004842 GO:0005622 GO:0005654 GO:0005680 GO:0005829 GO:0006511 GO:0007049 GO:0007067 GO:0007080 GO:0007091 GO:0007096 GO:0016567 GO:0030071 GO:0031145 GO:0042787 GO:0043161 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0070979
70.060.3886.720.090.575a31J GO:0005634 GO:0005654 GO:0005680 GO:0005737 GO:0005813 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0005876 GO:0007049 GO:0007067 GO:0007088 GO:0008283 GO:0016567 GO:0031145 GO:0042787 GO:0043161 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0070979
80.060.3146.940.040.475dseA GO:0005737 GO:0005829 GO:0005886 GO:0016020 GO:0046854 GO:0090002
90.060.3546.780.070.535a31Y GO:0005634 GO:0005654 GO:0005680 GO:0005829 GO:0007049 GO:0007067 GO:0016567 GO:0019903 GO:0031145 GO:0042787 GO:0043161 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0070979
100.060.3417.140.070.535a31F GO:0005634 GO:0005654 GO:0005680 GO:0005737 GO:0005813 GO:0005819 GO:0005829 GO:0005876 GO:0007091 GO:0008283 GO:0016567 GO:0019903 GO:0031145 GO:0042787 GO:0043161 GO:0051436 GO:0051437 GO:0051439 GO:0070979
110.060.3846.820.050.563q3eB GO:0000166
120.060.3373.530.080.385a6cB GO:0000132 GO:0000166 GO:0000922 GO:0001965 GO:0005092 GO:0005654 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005911 GO:0005912 GO:0005913 GO:0005938 GO:0007052 GO:0007155 GO:0007165 GO:0007186 GO:0007267 GO:0008022 GO:0017016 GO:0030054 GO:0030695 GO:0034332 GO:0042802 GO:0043547 GO:0045177 GO:0050790 GO:0051661 GO:0060487 GO:0090557 GO:0097431 GO:0098609 GO:0098641
130.060.3253.700.100.371w3bA GO:0000123 GO:0000791 GO:0001933 GO:0001934 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006041 GO:0006110 GO:0006486 GO:0006493 GO:0006915 GO:0007165 GO:0007584 GO:0008047 GO:0008134 GO:0008289 GO:0008375 GO:0010628 GO:0010801 GO:0016020 GO:0016262 GO:0016568 GO:0016740 GO:0016757 GO:0019904 GO:0030854 GO:0030900 GO:0031397 GO:0032868 GO:0032869 GO:0032922 GO:0033137 GO:0035020 GO:0042277 GO:0042588 GO:0043005 GO:0043025 GO:0043085 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0045793 GO:0045862 GO:0045944 GO:0046626 GO:0046972 GO:0048015 GO:0048029 GO:0048312 GO:0048511 GO:0051571 GO:0060548 GO:0061087 GO:0070207 GO:0070208 GO:0070688 GO:0071222 GO:0071300 GO:0071333 GO:0080182 GO:0090315 GO:0090526 GO:0097237 GO:0097363 GO:1900038 GO:1900182 GO:1903428
140.060.3353.710.090.394a1sA GO:0000132 GO:0005938 GO:0007400 GO:0007405 GO:0008105 GO:0008356 GO:0019904 GO:0030695 GO:0040001 GO:0045167 GO:0045175 GO:0045177 GO:0045179 GO:0045185 GO:0050790 GO:0051294 GO:0055059
150.060.3084.170.070.371w3bB GO:0000123 GO:0000791 GO:0001933 GO:0001934 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006041 GO:0006110 GO:0006486 GO:0006493 GO:0006915 GO:0007165 GO:0007584 GO:0008047 GO:0008134 GO:0008289 GO:0008375 GO:0010628 GO:0010801 GO:0016020 GO:0016262 GO:0016568 GO:0016740 GO:0016757 GO:0019904 GO:0030854 GO:0030900 GO:0031397 GO:0032868 GO:0032869 GO:0032922 GO:0033137 GO:0035020 GO:0042277 GO:0042588 GO:0043005 GO:0043025 GO:0043085 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0045793 GO:0045862 GO:0045944 GO:0046626 GO:0046972 GO:0048015 GO:0048029 GO:0048312 GO:0048511 GO:0051571 GO:0060548 GO:0061087 GO:0070207 GO:0070208 GO:0070688 GO:0071222 GO:0071300 GO:0071333 GO:0080182 GO:0090315 GO:0090526 GO:0097237 GO:0097363 GO:1900038 GO:1900182 GO:1903428
160.060.3407.020.070.512xt6A GO:0003824 GO:0004149 GO:0004591 GO:0006099 GO:0008152 GO:0008683 GO:0016491 GO:0016624 GO:0016740 GO:0016746 GO:0016829 GO:0016831 GO:0030976 GO:0046872 GO:0050439 GO:0055114
170.060.3436.570.060.495dseC GO:0005737 GO:0005829 GO:0005886 GO:0016020 GO:0046854 GO:0090002
180.060.3057.100.070.471wao1 GO:0000165 GO:0001933 GO:0001965 GO:0003723 GO:0004721 GO:0004722 GO:0004871 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0006281 GO:0006351 GO:0006470 GO:0006974 GO:0007067 GO:0008017 GO:0008289 GO:0010288 GO:0016020 GO:0016576 GO:0016787 GO:0031072 GO:0042802 GO:0043005 GO:0043025 GO:0043123 GO:0043204 GO:0043231 GO:0043234 GO:0043278 GO:0043531 GO:0046872 GO:0051259 GO:0051291 GO:0060548 GO:0070301 GO:0071276 GO:0071944 GO:1901215 GO:1990635 GO:2000324


Consensus prediction of GO terms
 
Molecular Function GO:0005515 GO:0043169 GO:0003824
GO-Score 0.36 0.36 0.33
Biological Processes GO:0010468 GO:0051569 GO:0031062
GO-Score 0.36 0.36 0.36
Cellular Component GO:0044297 GO:0036477 GO:0031981
GO-Score 0.36 0.36 0.36

(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.