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I-TASSER results for job id Rv0621

[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
10.10 5 2jb3B BE2 Rep, Mult 64,246,339,341
20.08 4 4gu0C FAD Rep, Mult 37,38,45,60,61,62,63,64,135,136,171,172,289,327,328,339,340,341
30.06 3 1f8sA BE2 Rep, Mult 265,267,272,273,277
40.04 2 3tgxA MAN Rep, Mult 301,302
50.04 2 1jqyF A32 Rep, Mult 291,292
60.02 1 2bxsA MLG Rep, Mult 106,221,232,235,246,338
70.02 1 3fz3A CA Rep, Mult 200,322,323
80.02 1 1ugiC IMD Rep, Mult 289,308
90.02 1 2o011 CLA Rep, Mult 159,160
100.02 1 1eccB MN Rep, Mult 173,339
110.02 1 1i75B NOJ Rep, Mult 284,353
120.02 1 4p6vB RBF Rep, Mult 264,267
130.02 1 2qx6A ML1 Rep, Mult 329,343
140.02 1 3b4pA AZI Rep, Mult 292,325
150.02 1 1f8sC BE2 Rep, Mult 312,346,347

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
10.0661f8rA0.6414.900.0910.8781.4.3.2NA
20.0662iveA0.5925.100.1300.8281.3.3.4NA
30.0663i6dB0.5955.040.0820.8281.3.3.4NA
40.0662vvmA0.5985.010.0950.8251.4.3.4NA
50.0662jaeA0.6244.880.0890.8561.4.3.2NA
60.0601sezA0.5985.210.0790.8481.3.3.4NA
70.0602yr4A0.6125.460.0710.8901.13.12.9NA
80.0601gpeB0.5156.180.0670.8021.1.3.462,327,339
90.0603bi2B0.6264.890.0890.8591.5.3.11NA
100.0602uzzB0.5125.600.0680.7571.5.3.-NA
110.0603cn8B0.6294.900.0860.8621.5.3.17171
120.0601pn0C0.5385.530.0630.7911.14.13.7174
130.0601b37B0.6175.010.1190.8501.5.3.15,1.5.3.14NA
140.0603lovA0.5785.210.1000.8191.3.3.4172,307
150.0601pj6A0.5125.540.0790.7491.5.3.10NA
160.0602z5xA0.6074.810.0780.8361.4.3.43
170.0601vrqB0.5135.460.0420.7491.5.3.1NA
180.0601cf3A0.5106.570.0510.8311.1.3.4NA
190.0601ng3A0.5105.380.0580.7371.4.3.19,1.5.3.-NA
200.0601reoA0.6374.950.0810.8781.4.3.2NA
210.0601fohC0.5365.480.0780.7771.14.13.7NA
220.0602wdqA0.5135.930.0630.7771.3.99.1NA
230.0601rsgA0.6165.010.0940.8451.5.3.11NA
240.0602jb2A0.6244.880.0890.8561.4.3.242

(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
00.090.6624.860.120.894fweA GO:0003677 GO:0005634 GO:0005654 GO:0006349 GO:0006351 GO:0006355 GO:0007275 GO:0008270 GO:0016491 GO:0016568 GO:0032452 GO:0034648 GO:0034649 GO:0034720 GO:0043046 GO:0044030 GO:0046872 GO:0050660 GO:0055114
10.090.6465.160.130.902dw4A GO:0000122 GO:0000784 GO:0000790 GO:0001085 GO:0001701 GO:0002039 GO:0003677 GO:0003682 GO:0003700 GO:0004407 GO:0005634 GO:0005654 GO:0005667 GO:0006351 GO:0006355 GO:0006357 GO:0006482 GO:0007275 GO:0007596 GO:0008134 GO:0008283 GO:0010569 GO:0010725 GO:0016491 GO:0016568 GO:0016575 GO:0019899 GO:0021983 GO:0030374 GO:0030851 GO:0032091 GO:0032451 GO:0032452 GO:0032453 GO:0032454 GO:0033169 GO:0033184 GO:0034644 GO:0034648 GO:0034720 GO:0042162 GO:0043234 GO:0043392 GO:0043426 GO:0043433 GO:0043518 GO:0044212 GO:0045648 GO:0045654 GO:0045892 GO:0045944 GO:0046886 GO:0050660 GO:0050681 GO:0051091 GO:0051572 GO:0051573 GO:0055001 GO:0055114 GO:0061752 GO:0071480 GO:1902166 GO:1903827 GO:1990391 GO:2000179 GO:2000648
20.080.6414.900.090.881f8rA GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0055114
30.080.6475.030.130.892x0lA GO:0000122 GO:0000784 GO:0000790 GO:0001085 GO:0001701 GO:0002039 GO:0003677 GO:0003682 GO:0003700 GO:0004407 GO:0005634 GO:0005654 GO:0005667 GO:0006351 GO:0006355 GO:0006357 GO:0006482 GO:0007275 GO:0007596 GO:0008134 GO:0008283 GO:0010569 GO:0010725 GO:0016491 GO:0016568 GO:0016575 GO:0019899 GO:0021983 GO:0030374 GO:0030851 GO:0032091 GO:0032451 GO:0032452 GO:0032453 GO:0032454 GO:0033169 GO:0033184 GO:0034644 GO:0034648 GO:0034720 GO:0042162 GO:0043234 GO:0043392 GO:0043426 GO:0043433 GO:0043518 GO:0044212 GO:0045648 GO:0045654 GO:0045892 GO:0045944 GO:0046886 GO:0050660 GO:0050681 GO:0051091 GO:0051572 GO:0051573 GO:0055001 GO:0055114 GO:0061752 GO:0071480 GO:1902166 GO:1903827 GO:1990391 GO:2000179 GO:2000648
40.080.6375.400.080.924iv9A GO:0004497 GO:0009851 GO:0016491 GO:0050361 GO:0055114
50.070.6165.010.090.841rsgA GO:0015940 GO:0016491 GO:0046208 GO:0046592 GO:0052901 GO:0052902 GO:0052903 GO:0052904 GO:0055114
60.070.6414.880.080.883kveA GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0044179 GO:0046872 GO:0055114
70.070.6175.020.110.853kpfA GO:0016491 GO:0052893 GO:0052896 GO:0052897 GO:0052898 GO:0052900 GO:0055114
80.070.6374.950.080.881reoA GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0044179 GO:0055114
90.070.5985.010.100.822vvmA GO:0005777 GO:0016491 GO:0055114
100.070.6374.870.080.874e0vB GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0044179 GO:0055114
110.070.6284.880.100.864gdpB GO:0015940 GO:0016491 GO:0046208 GO:0046592 GO:0052901 GO:0052902 GO:0052903 GO:0052904 GO:0055114
120.070.6244.880.090.862jaeA GO:0000166 GO:0001716 GO:0016491 GO:0055114
130.070.5995.000.090.843rhaA GO:0016491 GO:0050232 GO:0055114
140.070.6074.950.090.841o5wC GO:0005739 GO:0005741 GO:0006584 GO:0008131 GO:0016020 GO:0016021 GO:0016491 GO:0042135 GO:0042424 GO:0042428 GO:0042443 GO:0050660 GO:0051378 GO:0055114
150.070.5924.840.090.813ng7X GO:0000166 GO:0016491 GO:0018531 GO:0055114
160.070.6074.930.120.844i58A GO:0000166 GO:0016491 GO:0055114
170.070.5854.980.080.813qj4A GO:0002931 GO:0005576 GO:0005615 GO:0016491 GO:0055114 GO:0071869 GO:0071871 GO:1902074
180.070.6074.810.080.842z5xA GO:0005739 GO:0005741 GO:0006576 GO:0006584 GO:0008131 GO:0016020 GO:0016021 GO:0016491 GO:0042133 GO:0042135 GO:0042420 GO:0042428 GO:0042443 GO:0050660 GO:0051378 GO:0055114
190.070.6054.870.090.844a79A GO:0005739 GO:0005740 GO:0005741 GO:0005743 GO:0008131 GO:0009055 GO:0009636 GO:0010044 GO:0010269 GO:0014063 GO:0016020 GO:0016021 GO:0016491 GO:0021762 GO:0032496 GO:0042420 GO:0042493 GO:0042803 GO:0045471 GO:0045964 GO:0048545 GO:0050660 GO:0050665 GO:0051412 GO:0055114 GO:0070062
200.070.5984.990.100.842yg3B GO:0000166 GO:0016491 GO:0055114
210.070.5925.100.130.832iveA GO:0004729 GO:0005737 GO:0006779 GO:0006782 GO:0006783 GO:0016020 GO:0016491 GO:0055114
220.070.6015.300.090.861sezA GO:0004729 GO:0005739 GO:0006779 GO:0006782 GO:0006783 GO:0016491 GO:0055114
230.070.5825.170.090.823lovA GO:0000166 GO:0004729 GO:0006779 GO:0016491 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0032453 GO:0000166 GO:0050662 GO:0016491 GO:0003723 GO:0016811 GO:0033558 GO:0035258 GO:0044877 GO:0001071 GO:0000975 GO:0003713 GO:0043565 GO:0043425
GO-Score 0.47 0.47 0.47 0.35 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32
Biological Processes GO:0070076 GO:0055114 GO:0006366 GO:0051090 GO:0046885 GO:0000018 GO:0006476 GO:0032880 GO:0060319 GO:0034613 GO:0060341 GO:0051101 GO:0051100 GO:0035270 GO:0072091 GO:0051570 GO:0031061 GO:0045995 GO:0043516 GO:0033182 GO:0045892 GO:0021536 GO:0043009 GO:1902230 GO:0031058 GO:0050817 GO:0032846 GO:0043393 GO:1902165 GO:0042060 GO:0032352 GO:0009411 GO:0007599 GO:0044093 GO:0042692 GO:0008284 GO:0045652 GO:0031398 GO:0045646 GO:0071479 GO:0045893 GO:0000724 GO:0071482 GO:1902254 GO:0048468 GO:0048732 GO:0002573 GO:2000779 GO:0045639 GO:2000177 GO:0051569 GO:0010332
GO-Score 0.47 0.35 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32
Cellular Component GO:0000781 GO:0000785 GO:0044454
GO-Score 0.32 0.32 0.32

(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.