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I-TASSER results for job id Rv2082

[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
10.06 3 3cmvC ANP Rep, Mult 336,337,338,339,342,343,344
20.06 3 4elxB PEG Rep, Mult 315,316,319
30.06 3 1vrgB BCT Rep, Mult 290,291,292,293
40.04 2 2hzcA ZN Rep, Mult 91,95
50.04 2 1qozB NAG Rep, Mult 676,677,694
60.02 1 3kvnA C8E Rep, Mult 318,322
70.02 1 4eyaB NUC Rep, Mult 678,680
80.02 1 2vn4A MAN Rep, Mult 183,184
90.02 1 3hm5A CA Rep, Mult 41,46
100.02 1 2bptA III Rep, Mult 77,78,81,82,110,111,112,113,114,119,141,142
110.02 1 2ikfA MG Rep, Mult 680,686
120.02 1 3cmvE ANP Rep, Mult 257,259,260,261,262,287,293
130.02 1 1id3H MN Rep, Mult 213,214
140.02 1 4kegA MG Rep, Mult 259,260
150.02 1 3htwA MG Rep, Mult 48,61
160.02 1 2o011 CLA Rep, Mult 699,700
170.02 1 1r4vA ZN Rep, Mult 628,655

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
10.0603b9jJ0.1486.830.0300.2141.17.1.4,1.17.3.2330
20.0602vz8A0.2928.810.0310.4912.3.1.85NA
30.0603ecqB0.2948.920.0430.5053.2.1.97NA
40.0602vdcA0.2818.000.0320.4341.4.1.13NA
50.0603b9jI0.1105.410.0940.1401.17.1.4,1.17.3.2237
60.0601xc6A0.2568.330.0360.4133.2.1.23266
70.0602vdcF0.2788.190.0300.4381.4.1.13NA
80.0601ygpA0.2818.460.0460.4612.4.1.1335
90.0602pdaA0.2827.910.0330.4371.2.7.1261,499
100.0601vbgA0.2738.240.0540.4382.7.9.1NA
110.0602pffB0.2858.510.0380.4672.3.1.86287
120.0602qf7B0.2828.040.0350.4406.4.1.1NA
130.0602zxqA0.2988.660.0520.5033.2.1.97223
140.0602qllA0.2698.000.0420.4232.4.1.1NA
150.0602vz8B0.2768.480.0360.4492.3.1.85NA
160.0601t3tA0.2818.410.0210.4616.3.5.3NA
170.0603gpbA0.2768.490.0450.4542.4.1.1NA
180.0601e1yA0.2758.300.0470.4472.4.1.1NA
190.0603dsxA0.2325.580.0340.3012.5.1.60NA

(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
00.310.9242.520.080.975a1uG GO:0000139 GO:0005198 GO:0005737 GO:0005793 GO:0005794 GO:0005798 GO:0005886 GO:0006810 GO:0006886 GO:0006891 GO:0015031 GO:0016020 GO:0016192 GO:0030117 GO:0030126 GO:0030137 GO:0030663 GO:0031410 GO:0043231
10.070.3967.090.030.573icqT GO:0000049 GO:0003723 GO:0005525 GO:0005634 GO:0005635 GO:0005643 GO:0005737 GO:0005829 GO:0006409 GO:0006605 GO:0006810 GO:0008033 GO:0008536 GO:0015932 GO:0016363 GO:0071528
20.070.4357.010.040.623a6pA GO:0000049 GO:0003723 GO:0003729 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0031047 GO:0035281 GO:0042565 GO:0044822 GO:0070883 GO:0090631 GO:1900370
30.060.3826.760.040.542jkrA GO:0005886 GO:0005905 GO:0006810 GO:0006886 GO:0006897 GO:0008289 GO:0008565 GO:0015031 GO:0016020 GO:0016023 GO:0016192 GO:0019901 GO:0030117 GO:0030131 GO:0030141 GO:0032403 GO:1902036
40.060.4006.090.040.541w63A GO:0005737 GO:0005794 GO:0005802 GO:0005829 GO:0006810 GO:0006886 GO:0008565 GO:0015031 GO:0016020 GO:0016192 GO:0017137 GO:0019894 GO:0030117 GO:0030131 GO:0030136 GO:0030665 GO:0030742 GO:0031410 GO:0035646 GO:0043231 GO:0043323 GO:0045954 GO:0048471 GO:0055037 GO:0090160
50.060.3558.120.040.565difC GO:0000055 GO:0000776 GO:0005634 GO:0005737 GO:0005816 GO:0006406 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0034501 GO:0048471
60.060.3746.830.050.544uqiB GO:0003279 GO:0003281 GO:0005048 GO:0005802 GO:0005829 GO:0005886 GO:0005905 GO:0006810 GO:0006886 GO:0006897 GO:0007018 GO:0007507 GO:0008565 GO:0015031 GO:0016020 GO:0016192 GO:0019886 GO:0030117 GO:0030118 GO:0030122 GO:0030131 GO:0030276 GO:0030666 GO:0030669 GO:0032403 GO:0035615 GO:0035904 GO:0036020 GO:0042059 GO:0043231 GO:0048013 GO:0048268 GO:0050690 GO:0060071 GO:0060976 GO:0072583
70.060.3396.380.050.465a1uE GO:0000139 GO:0005198 GO:0005737 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0015031 GO:0016020 GO:0016192 GO:0030117 GO:0030126 GO:0030663 GO:0031410
80.060.3787.500.040.564bsmA GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005215 GO:0005487 GO:0005634 GO:0005635 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0007062 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0016032 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0043488 GO:0046825 GO:0051028 GO:0075733
90.060.3597.760.040.553gjxA GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005487 GO:0005634 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0046825 GO:0051028
100.060.3837.250.030.553wyfC GO:0000055 GO:0000776 GO:0005634 GO:0005737 GO:0005816 GO:0006406 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0034501 GO:0048471
110.060.3577.810.030.553gb8A GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005215 GO:0005487 GO:0005634 GO:0005635 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0007062 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0016032 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0043488 GO:0046825 GO:0051028 GO:0075733
120.060.2768.100.060.442iw3B GO:0000166 GO:0001933 GO:0003723 GO:0003746 GO:0005524 GO:0005737 GO:0005840 GO:0006412 GO:0006414 GO:0006415 GO:0006469 GO:0010494 GO:0016887 GO:0019843 GO:0022626 GO:0042788
130.060.2677.850.020.415dfzC GO:0000166 GO:0000329 GO:0000407 GO:0004672 GO:0005524 GO:0005643 GO:0005768 GO:0005777 GO:0005794 GO:0006468 GO:0006810 GO:0006914 GO:0010008 GO:0015031 GO:0016020 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030242 GO:0032968 GO:0034271 GO:0034272 GO:0036092 GO:0046854 GO:0048015 GO:0071561
140.060.1943.770.110.223ltjA
150.060.1715.430.040.224lctB GO:0000338 GO:0005634 GO:0005737 GO:0005829 GO:0006461 GO:0006972 GO:0007275 GO:0008180 GO:0009585 GO:0009646 GO:0009651 GO:0009793 GO:0010017 GO:0010387 GO:0010388
160.060.1636.460.090.232y7dD GO:0003824 GO:0016740 GO:0019475 GO:0046872
170.060.1607.420.030.244e0vB GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0044179 GO:0055114
180.060.1496.200.040.203j6bL GO:0000002 GO:0003735 GO:0005622 GO:0005739 GO:0005762 GO:0005840 GO:0006412 GO:0030529 GO:0032543


Consensus prediction of GO terms
 
Molecular Function GO:0022892 GO:0005198
GO-Score 0.36 0.31
Biological Processes GO:0006886 GO:0006891
GO-Score 0.44 0.31
Cellular Component GO:0005886 GO:0005793 GO:0030126 GO:0000139
GO-Score 0.36 0.31 0.31 0.31

(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.