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I-TASSER results for job id Rv1371

[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
10.05 3 3q02B ZN Rep, Mult 398,399,400
20.03 2 5cloN NS8 Rep, Mult 400,401,402
30.03 2 2cqsA BGC Rep, Mult 215,216,388
40.03 2 3cmvG ANP Rep, Mult 376,377,378,381,382,383,384
50.03 2 4q5zG ZN Rep, Mult 229,233
60.03 2 1qb4A ASP Rep, Mult 315,319,373,381
70.03 2 2yxoA FE Rep, Mult 318,350,400
80.03 2 3cmvC ANP Rep, Mult 189,190,193,194,195,196
90.03 2 1krfA KIF Rep, Mult 275,279,280,344,348
100.02 1 4fevD KAN Rep, Mult 349,350
110.02 1 4clvA ZN Rep, Mult 121,200
120.02 1 4wisA CA Rep, Mult 31,278,306,309,338,342
130.02 1 3qbuA ZN Rep, Mult 365,399,400
140.02 1 1jqnA ASP Rep, Mult 308,312,365,372
150.02 1 1ucgA MN Rep, Mult 263,267
160.02 1 3ehbB HEA Rep, Mult 143,187
170.02 1 5d91A 8K6 Rep, Mult 62,65
180.02 1 3cmvA MG Rep, Mult 264,272,331
190.02 1 1jdiA ZN Rep, Mult 399,400,466
200.02 1 3l7tA ZN Rep, Mult 400,420

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
10.0603b9jI0.1095.580.0310.1511.17.1.4,1.17.3.2NA
20.0601h54B0.3127.110.0480.5012.4.1.8NA
30.0601h12A0.3096.620.0600.4683.2.1.8NA
40.0601jqnA0.3367.720.0530.5734.1.1.31383
50.0602e1qA0.3037.030.0530.4741.17.3.2,1.17.1.4NA
60.0603hz3A0.3227.910.0400.5582.4.1.537
70.0602cqsA0.3417.130.0280.5522.4.1.20292
80.0602ckjA0.3068.150.0130.5481.17.1.4,1.17.3.2NA
90.0601llwA0.3167.150.0300.5071.4.7.1NA
100.0601kktA0.3307.440.0590.5383.2.1.113NA
110.0601z0hB0.1857.660.0180.3093.4.24.69NA
120.0601n1zA0.3177.450.0560.5215.5.1.8NA
130.0602pffA0.3287.340.0590.5362.3.1.41,2.3.1.86NA
140.0601ofdA0.3167.140.0300.5051.4.7.1218
150.0601nxcA0.3247.050.0370.5073.2.1.113NA
160.0602eabA0.3346.780.0210.5133.2.1.63NA
170.0602vdcF0.3147.280.0380.5131.4.1.13NA
180.0603hmjA0.3197.500.0630.5322.3.1.86NA
190.0601fo2A0.3257.250.0500.5173.2.1.113215

(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
00.180.8502.930.070.944wisA GO:0016020 GO:0016021 GO:0046872
10.060.3577.140.040.572ycuA GO:0000146 GO:0000166 GO:0000331 GO:0001725 GO:0003009 GO:0003774 GO:0003779 GO:0005200 GO:0005509 GO:0005516 GO:0005524 GO:0005737 GO:0005773 GO:0005829 GO:0005884 GO:0005903 GO:0005938 GO:0006909 GO:0006972 GO:0007275 GO:0007519 GO:0007605 GO:0008360 GO:0009267 GO:0016020 GO:0016459 GO:0016460 GO:0019228 GO:0030048 GO:0030424 GO:0030426 GO:0030587 GO:0030674 GO:0030898 GO:0031032 GO:0031252 GO:0031410 GO:0042641 GO:0043209 GO:0044351 GO:0045335 GO:0046872 GO:0048870 GO:0051015 GO:0051017 GO:0051764 GO:0070062 GO:0070584 GO:0071625 GO:0097513
20.060.3177.660.040.534l79A GO:0000146 GO:0000166 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005546 GO:0005547 GO:0005737 GO:0005769 GO:0005856 GO:0005884 GO:0005886 GO:0005903 GO:0006892 GO:0007015 GO:0007399 GO:0010008 GO:0016459 GO:0030048 GO:0030175 GO:0030898 GO:0032588 GO:0048471 GO:0051015 GO:0051017 GO:0070062 GO:0071944
30.060.3217.480.030.532mysA GO:0000166 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005737 GO:0016459 GO:0030016 GO:0032982
40.060.3117.370.070.514pa0A GO:0000146 GO:0000166 GO:0001725 GO:0002026 GO:0002027 GO:0003009 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005737 GO:0005859 GO:0006091 GO:0006936 GO:0006941 GO:0007512 GO:0008218 GO:0014728 GO:0014883 GO:0016459 GO:0016887 GO:0018298 GO:0030016 GO:0030017 GO:0030018 GO:0030049 GO:0030898 GO:0031449 GO:0032982 GO:0042803 GO:0046034 GO:0046982 GO:0055010 GO:0060048
50.060.2797.520.040.474pa0B GO:0000146 GO:0000166 GO:0001725 GO:0002026 GO:0002027 GO:0003009 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005737 GO:0005859 GO:0006091 GO:0006936 GO:0006941 GO:0007512 GO:0008218 GO:0014728 GO:0014883 GO:0016459 GO:0016887 GO:0018298 GO:0030016 GO:0030017 GO:0030018 GO:0030049 GO:0030898 GO:0031449 GO:0032982 GO:0042803 GO:0046034 GO:0046982 GO:0055010 GO:0060048
60.060.3156.860.040.494zg4E GO:0000166 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0016459 GO:0070062
70.060.2937.590.040.482bkiA GO:0000166 GO:0001726 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0005905 GO:0005938 GO:0006810 GO:0006886 GO:0006897 GO:0007605 GO:0015031 GO:0016020 GO:0016023 GO:0016459 GO:0016591 GO:0030048 GO:0030139 GO:0030330 GO:0031941 GO:0031965 GO:0043531 GO:0045334 GO:0045944 GO:0048471 GO:0051015 GO:0051046
80.060.2967.500.030.481qviA GO:0000166 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005737 GO:0016459 GO:0030016 GO:0032982
90.060.3027.460.030.504p7hB GO:0000146 GO:0000166 GO:0001725 GO:0002026 GO:0002027 GO:0003009 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005737 GO:0005859 GO:0006091 GO:0006936 GO:0006941 GO:0007512 GO:0008218 GO:0014728 GO:0014883 GO:0016459 GO:0016887 GO:0018298 GO:0030016 GO:0030017 GO:0030018 GO:0030049 GO:0030898 GO:0031449 GO:0032982 GO:0042803 GO:0046034 GO:0046982 GO:0055010 GO:0060048
100.060.3117.390.050.514pd3B GO:0000146 GO:0000166 GO:0000281 GO:0000331 GO:0001701 GO:0001725 GO:0001764 GO:0001778 GO:0003279 GO:0003774 GO:0003779 GO:0005200 GO:0005509 GO:0005516 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005773 GO:0005819 GO:0005829 GO:0005884 GO:0005886 GO:0005903 GO:0005938 GO:0006887 GO:0006909 GO:0006930 GO:0006972 GO:0007097 GO:0007155 GO:0007275 GO:0007409 GO:0007411 GO:0007420 GO:0007507 GO:0007512 GO:0008283 GO:0008360 GO:0009267 GO:0015629 GO:0016459 GO:0016460 GO:0021592 GO:0021670 GO:0021678 GO:0021680 GO:0030027 GO:0030036 GO:0030048 GO:0030239 GO:0030424 GO:0030426 GO:0030496 GO:0030587 GO:0030674 GO:0030898 GO:0031032 GO:0031175 GO:0031252 GO:0031410 GO:0031594 GO:0032154 GO:0035904 GO:0042641 GO:0042995 GO:0043005 GO:0043025 GO:0043197 GO:0043531 GO:0044351 GO:0045335 GO:0046872 GO:0048870 GO:0050885 GO:0051015 GO:0051017 GO:0051764 GO:0055003 GO:0055015 GO:0060041 GO:0060976 GO:0070062 GO:0097513
110.060.3067.470.060.503i5fA GO:0000166 GO:0003774 GO:0003779 GO:0005524 GO:0016459
120.060.3046.970.040.474byfA GO:0000166 GO:0001725 GO:0001726 GO:0003774 GO:0003779 GO:0005102 GO:0005516 GO:0005524 GO:0005634 GO:0005643 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0005886 GO:0005902 GO:0005903 GO:0006605 GO:0006612 GO:0006810 GO:0008022 GO:0009925 GO:0015031 GO:0016020 GO:0016023 GO:0016328 GO:0016459 GO:0016461 GO:0017160 GO:0030335 GO:0030898 GO:0031410 GO:0031941 GO:0032420 GO:0038089 GO:0038096 GO:0042995 GO:0045121 GO:0045160 GO:0045815 GO:0051028 GO:0060171 GO:0070062 GO:0090314 GO:1900748 GO:2000810
130.060.2977.140.060.471br2A GO:0000166 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005737 GO:0006939 GO:0008307 GO:0016459 GO:0030016 GO:0030241 GO:0032982 GO:0048251 GO:0048739
140.060.3077.440.050.503j04A GO:0000166 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005737 GO:0006939 GO:0008307 GO:0016459 GO:0030016 GO:0030241 GO:0032982 GO:0048251 GO:0048739
150.060.2697.700.040.453dtpB GO:0000146 GO:0000166 GO:0001725 GO:0002026 GO:0002027 GO:0003009 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005737 GO:0005859 GO:0006936 GO:0006939 GO:0006941 GO:0007512 GO:0008307 GO:0014728 GO:0014883 GO:0016459 GO:0016887 GO:0030016 GO:0030017 GO:0030018 GO:0030049 GO:0030241 GO:0030898 GO:0031449 GO:0032982 GO:0042803 GO:0046034 GO:0046982 GO:0048251 GO:0048739 GO:0055010 GO:0060048
160.060.2687.630.050.451w9jA GO:0000146 GO:0000166 GO:0000281 GO:0001931 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005737 GO:0005826 GO:0005829 GO:0005856 GO:0005938 GO:0006935 GO:0006971 GO:0008104 GO:0008360 GO:0009612 GO:0016459 GO:0016460 GO:0030038 GO:0030554 GO:0030837 GO:0030866 GO:0030898 GO:0031034 GO:0031143 GO:0031152 GO:0031154 GO:0031254 GO:0031270 GO:0032009 GO:0032060 GO:0032154 GO:0032982 GO:0033275 GO:0033298 GO:0034461 GO:0042542 GO:0042641 GO:0042803 GO:0044351 GO:0045179 GO:0046847 GO:0048870 GO:0051015 GO:0060328 GO:0071889 GO:0097204 GO:1990753
170.060.2876.040.040.411ng9A GO:0000018 GO:0000166 GO:0003677 GO:0003684 GO:0005524 GO:0005829 GO:0006281 GO:0006298 GO:0006974 GO:0008301 GO:0016887 GO:0030983 GO:0032136 GO:0032300 GO:0042802 GO:0043531
180.060.3107.380.030.501dflB GO:0000166 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005737 GO:0016459 GO:0030016 GO:0032982


Consensus prediction of GO terms
 
Molecular Function GO:0043169 GO:0008092 GO:0035639 GO:0032559 GO:0032550 GO:0042623
GO-Score 0.47 0.46 0.46 0.46 0.46 0.36
Biological Processes GO:0051017 GO:0046034 GO:0014728 GO:0031449 GO:0031032 GO:0055010 GO:0006091 GO:0019228 GO:0051764 GO:0030587 GO:0002026 GO:0006909 GO:0018298 GO:0007512 GO:0007605 GO:0060048 GO:0002027 GO:0044351 GO:0008360 GO:0006972 GO:0071625 GO:0007519 GO:0007399 GO:0048870 GO:0014883 GO:0070584 GO:0006892 GO:0030049 GO:0008218
GO-Score 0.12 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Cellular Component GO:0043234 GO:0044430 GO:0015629
GO-Score 0.46 0.46 0.46

(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.