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I-TASSER results for job id Rv2328

[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 5etzA 22B Rep, Mult 28,53,54,57,65,68
20.04 2 2bh1A CA Rep, Mult 15,17
30.04 2 2xqsA CVM Rep, Mult 317,321,324
40.04 2 2wieA CVM Rep, Mult 317,321
50.02 1 1brrC ARC Rep, Mult 31,54,58
60.02 1 3hq2A ZN Rep, Mult 36,150
70.02 1 2dyrK PGV Rep, Mult 72,73
80.02 1 2aj4A MG Rep, Mult 56,162
90.02 1 3zvwC MG Rep, Mult 333,337
100.02 1 3mylX POP Rep, Mult 28,29,30,34,35,36,104,107
110.02 1 1gsaA MG Rep, Mult 45,46
120.02 1 3cvsA NUC Rep, Mult 82,84
130.02 1 1oczB HEA Rep, Mult 317,366
140.02 1 3il1H B5D Rep, Mult 110,111,224,225,228
150.02 1 3atsA CA Rep, Mult 112,118
160.02 1 2dysA DCW Rep, Mult 25,66,69
170.02 1 3ijoE B4D Rep, Mult 311,314,317,318
180.02 1 3pmvA 557 Rep, Mult 211,243,244,245,246
190.02 1 3io6A CA Rep, Mult 9,12
200.02 1 2h2pA SEK Rep, Mult 260,262

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
10.0601y2mB0.3466.070.0770.5084.3.1.24NA
20.0603i9wA0.3603.900.0870.4482.7.13.3188
30.0601qhaA0.3376.850.0540.5632.7.1.1NA
40.0602epoB0.3645.590.0920.5263.2.1.52NA
50.0601f13A0.3306.370.0420.5102.3.2.13NA
60.0603hmjA0.3297.270.0640.5602.3.1.86NA
70.0603b8eA0.3267.100.0280.5653.6.3.9NA
80.0602pffA0.3357.150.0640.5792.3.1.41,2.3.1.86NA
90.0601mc0A0.2696.330.0650.4213.1.4.17NA
100.0601yfmA0.3236.250.0540.5004.2.1.2NA
110.0601l9mB0.3226.630.0410.5212.3.2.13NA
120.0601j3uA0.3305.890.0470.4874.3.1.1NA
130.0602epoA0.3585.550.0440.5243.2.1.52NA
140.0601ffyA0.3216.860.0520.5296.1.1.5NA
150.0603btaA0.4006.540.0160.6283.4.24.69NA
160.0601eulA0.3317.050.0480.5633.6.3.8NA
170.0603ff6A0.3266.600.0580.5216.4.1.2,6.3.4.14301
180.0601k7wD0.3466.650.0570.5584.3.2.1332
190.0601dcnB0.3346.640.0470.5474.3.2.1NA

(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
00.250.6583.610.100.791u4qA GO:0003779 GO:0005509 GO:0005516 GO:0005737 GO:0005856 GO:0005938 GO:0046872 GO:0051693
10.130.4543.100.050.523fb2B GO:0000165 GO:0003779 GO:0005088 GO:0005200 GO:0005509 GO:0005516 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005913 GO:0005938 GO:0006888 GO:0007411 GO:0008091 GO:0015630 GO:0016020 GO:0019905 GO:0031532 GO:0032403 GO:0043231 GO:0043234 GO:0043547 GO:0046872 GO:0047485 GO:0051693 GO:0070062 GO:0098609 GO:0098641 GO:1903561
20.120.6384.170.060.803r6nA GO:0001533 GO:0002934 GO:0003223 GO:0005080 GO:0005198 GO:0005200 GO:0005634 GO:0005737 GO:0005856 GO:0005882 GO:0005886 GO:0005911 GO:0005916 GO:0008544 GO:0014704 GO:0016020 GO:0016323 GO:0016337 GO:0018149 GO:0030054 GO:0030057 GO:0030216 GO:0030674 GO:0031012 GO:0034332 GO:0042060 GO:0043588 GO:0044822 GO:0045104 GO:0045109 GO:0050839 GO:0070062 GO:0071896 GO:0086073 GO:0086083 GO:0086091 GO:0097110 GO:0098911
30.110.5054.070.050.643kbuB GO:0000165 GO:0003779 GO:0005088 GO:0005200 GO:0005737 GO:0005829 GO:0005856 GO:0005938 GO:0006888 GO:0007411 GO:0008091 GO:0009986 GO:0014731 GO:0015629 GO:0030506 GO:0031235 GO:0043234 GO:0043547 GO:0051015 GO:0051693
40.100.5125.460.060.744d1eA GO:0000165 GO:0002576 GO:0003779 GO:0005088 GO:0005178 GO:0005509 GO:0005546 GO:0005576 GO:0005737 GO:0005829 GO:0005856 GO:0005884 GO:0005886 GO:0005925 GO:0006936 GO:0007155 GO:0008092 GO:0008307 GO:0019904 GO:0030017 GO:0030018 GO:0030035 GO:0030049 GO:0030175 GO:0030274 GO:0030374 GO:0030375 GO:0030864 GO:0031093 GO:0031143 GO:0031432 GO:0042391 GO:0042802 GO:0042803 GO:0042981 GO:0043197 GO:0043267 GO:0043268 GO:0043547 GO:0044325 GO:0045214 GO:0046872 GO:0046983 GO:0048041 GO:0051015 GO:0051289 GO:0051373 GO:0051695 GO:0055013 GO:0070062 GO:0070080 GO:0086097 GO:0090002 GO:1901017 GO:1901018 GO:1903506 GO:2000009 GO:2000273 GO:2001137 GO:2001259
50.090.4244.030.130.533pdyB GO:0003779 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005903 GO:0005913 GO:0005925 GO:0008092 GO:0008307 GO:0016528 GO:0030054 GO:0030056 GO:0030506 GO:0031012 GO:0031581 GO:0042383 GO:0043034 GO:0043292 GO:0044822 GO:0045111 GO:0070062 GO:0098609 GO:0098641
60.090.4344.090.060.563edvA GO:0000165 GO:0000281 GO:0003779 GO:0005088 GO:0005200 GO:0005516 GO:0005543 GO:0005634 GO:0005730 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005913 GO:0006888 GO:0007009 GO:0007182 GO:0007184 GO:0007411 GO:0008091 GO:0014731 GO:0016020 GO:0030506 GO:0030673 GO:0030863 GO:0031430 GO:0032437 GO:0043001 GO:0043547 GO:0044822 GO:0051020 GO:0051693 GO:0070062 GO:0071709 GO:0072661 GO:0097481 GO:0098609 GO:0098641 GO:1900042 GO:1903076 GO:1903078
70.080.5504.500.080.731sjjA GO:0001725 GO:0001726 GO:0003779 GO:0005509 GO:0005623 GO:0005737 GO:0005856 GO:0005886 GO:0005915 GO:0005923 GO:0005925 GO:0016020 GO:0016328 GO:0017166 GO:0030018 GO:0030027 GO:0030054 GO:0030274 GO:0030486 GO:0031252 GO:0042383 GO:0042803 GO:0042995 GO:0045214 GO:0046872 GO:0048741 GO:0051015 GO:0051017 GO:0051219 GO:0051393 GO:0051764 GO:0090636 GO:0090637 GO:0097433 GO:1990357
80.070.4765.990.070.711g8xA GO:0000146 GO:0000166 GO:0000281 GO:0000331 GO:0001931 GO:0003774 GO:0003779 GO:0005200 GO:0005509 GO:0005516 GO:0005524 GO:0005737 GO:0005773 GO:0005826 GO:0005829 GO:0005856 GO:0005884 GO:0005938 GO:0006909 GO:0006935 GO:0006971 GO:0006972 GO:0007275 GO:0008104 GO:0008360 GO:0009267 GO:0009612 GO:0016459 GO:0016460 GO:0030038 GO:0030554 GO:0030587 GO:0030674 GO:0030837 GO:0030866 GO:0030898 GO:0031034 GO:0031143 GO:0031152 GO:0031154 GO:0031252 GO:0031254 GO:0031270 GO:0031410 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:0045335 GO:0046847 GO:0046872 GO:0048870 GO:0051015 GO:0051017 GO:0051764 GO:0060328 GO:0071889 GO:0097204 GO:1990753
90.070.4364.470.080.563pe0A GO:0003779 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005903 GO:0005913 GO:0005925 GO:0008092 GO:0008307 GO:0016528 GO:0030054 GO:0030056 GO:0030506 GO:0031012 GO:0031581 GO:0042383 GO:0043034 GO:0043292 GO:0044822 GO:0045111 GO:0070062 GO:0098609 GO:0098641
100.070.4495.740.070.662ycuA 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
110.060.4544.760.050.604pd3B 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
120.060.4362.960.090.501s35A GO:0000165 GO:0003779 GO:0005088 GO:0005200 GO:0005737 GO:0005829 GO:0005856 GO:0005938 GO:0006888 GO:0007411 GO:0008091 GO:0009986 GO:0014731 GO:0015629 GO:0030506 GO:0031235 GO:0043234 GO:0043547 GO:0051015 GO:0051693
130.060.4372.660.050.492iakA GO:0001725 GO:0003779 GO:0005509 GO:0005634 GO:0005635 GO:0005737 GO:0005783 GO:0005789 GO:0005856 GO:0005874 GO:0005882 GO:0005886 GO:0005925 GO:0005938 GO:0007010 GO:0007050 GO:0007155 GO:0007409 GO:0008090 GO:0008092 GO:0009898 GO:0014704 GO:0015629 GO:0015630 GO:0016020 GO:0016021 GO:0016023 GO:0030018 GO:0030054 GO:0030056 GO:0030424 GO:0031673 GO:0035371 GO:0042383 GO:0042803 GO:0042995 GO:0045104 GO:0046872 GO:0046907 GO:0048471 GO:0051010 GO:0097038 GO:0097481 GO:1904115
140.060.4244.070.070.542oduA GO:0003779 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005903 GO:0005913 GO:0005925 GO:0008092 GO:0008307 GO:0016528 GO:0030054 GO:0030056 GO:0030506 GO:0031012 GO:0031581 GO:0042383 GO:0043034 GO:0043292 GO:0044822 GO:0045111 GO:0070062 GO:0098609 GO:0098641
150.060.3424.510.050.453lbxB GO:0000165 GO:0003779 GO:0005088 GO:0005200 GO:0005737 GO:0005829 GO:0005856 GO:0005938 GO:0006888 GO:0007411 GO:0008091 GO:0009986 GO:0014731 GO:0015629 GO:0030506 GO:0031235 GO:0043234 GO:0043547 GO:0051015 GO:0051693
160.060.3054.540.050.404z6gA GO:0003779 GO:0005509 GO:0005737 GO:0005794 GO:0005856 GO:0005874 GO:0005886 GO:0005913 GO:0007050 GO:0008017 GO:0010632 GO:0016020 GO:0016055 GO:0016887 GO:0030177 GO:0032587 GO:0032886 GO:0042060 GO:0042995 GO:0043001 GO:0044822 GO:0045773 GO:0046872 GO:0051015 GO:0051893 GO:0098609 GO:0098641
170.060.2792.790.080.323uumB GO:0003779 GO:0007528 GO:0008270 GO:0030426 GO:0030864 GO:0031594 GO:0046872 GO:0051015
180.060.2662.460.050.303uunA GO:0002027 GO:0002162 GO:0003779 GO:0005200 GO:0005634 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0007517 GO:0008270 GO:0008307 GO:0009986 GO:0010880 GO:0010881 GO:0010976 GO:0014809 GO:0014819 GO:0015629 GO:0016010 GO:0016013 GO:0016020 GO:0016203 GO:0016328 GO:0017022 GO:0017166 GO:0030018 GO:0030049 GO:0030054 GO:0030055 GO:0030175 GO:0031527 GO:0033137 GO:0034613 GO:0035994 GO:0042383 GO:0043034 GO:0043043 GO:0043234 GO:0043623 GO:0044306 GO:0044458 GO:0045121 GO:0045202 GO:0045211 GO:0045666 GO:0046716 GO:0046872 GO:0048747 GO:0050998 GO:0060048 GO:0060314 GO:0086001 GO:0090287 GO:1901385 GO:1902083 GO:2000651


Consensus prediction of GO terms
 
Molecular Function GO:0003779 GO:0005509 GO:0032403 GO:0005516 GO:0005200 GO:0005088
GO-Score 0.48 0.41 0.40 0.35 0.32 0.30
Biological Processes GO:0097485 GO:0046907 GO:0007409 GO:0048193 GO:0051693 GO:0000165 GO:0043547
GO-Score 0.45 0.45 0.45 0.45 0.42 0.30 0.30
Cellular Component GO:0030864 GO:0032991 GO:0070062 GO:0005886 GO:0005829
GO-Score 0.45 0.45 0.31 0.31 0.30

(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.