[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv1461

[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
10.11 6 2ckjD FES Rep, Mult 48,49,50,51,53,54,55,56,107
20.07 4 2zu0B III Rep, Mult 794,795,798,799,802,803,804,812,816
30.04 2 3eqnA ZN Rep, Mult 707,714
40.04 2 2no5A CNR Rep, Mult 835,838
50.02 1 3eubS FES Rep, Mult 168,169,170,204,205,206
60.02 1 3poyA BGC Rep, Mult 219,222,249
70.02 1 1z44A NPO Rep, Mult 810,811,814
80.02 1 2qyvA ZN Rep, Mult 191,243,623
90.02 1 3mruA ZN Rep, Mult 191,623
100.02 1 2zu0B III Rep, Mult 798,802
110.02 1 1jwlA NUC Rep, Mult 196,200
120.02 1 3tptB MG Rep, Mult 714,718,757
130.02 1 1bglB MG Rep, Mult 98,191,395,397,439
140.02 1 3fltA CA Rep, Mult 777,785
150.02 1 2eulD ZN Rep, Mult 832,835
160.02 1 2nr9A PA6 Rep, Mult 837,841
170.02 1 3scxA CA Rep, Mult 423,427

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
10.0603cf4A0.2729.030.0350.4481.2.99.2NA
20.0601bxrA0.2509.100.0240.4206.3.5.5NA
30.0602cqsA0.2578.630.0440.4122.4.1.20NA
40.0603b9jJ0.1636.490.0400.2201.17.1.4,1.17.3.2652
50.0603ikmD0.2588.980.0400.4222.7.7.7NA
60.0603h09B0.2528.000.0260.3783.4.21.7270
70.0601t3tA0.2839.230.0370.4796.3.5.3NA
80.0602uveA0.2556.530.0320.3403.2.1.82208,248
90.0603eqoA0.2845.860.0400.3593.2.1.58NA
100.0602r72A0.2528.950.0430.4142.7.7.48203
110.0602z8yD0.2637.370.0490.3761.2.7.4,1.2.99.2317,324
120.0602pdaA0.2468.690.0180.3921.2.7.1NA
130.0602azdB0.2568.450.0570.4022.4.1.1NA
140.0603l4uA0.2598.280.0400.4003.2.1.20,3.2.1.361,108
150.0601k32A0.2548.910.0330.4123.4.21.-NA
160.0603ecqB0.2808.530.0510.4363.2.1.97233
170.0601ogmX0.2756.350.0490.3643.2.1.11NA
180.0601ahpA0.2538.520.0510.4012.4.1.174,199
190.0603b9jC0.2109.100.0330.3461.17.3.2,1.17.1.4NA

(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
00.070.4781.290.180.492zu0A GO:0006979 GO:0016226
10.060.4332.980.220.464dn7A GO:0005524 GO:0016226
20.060.4012.910.390.435awfA GO:0016226 GO:0051539
30.060.2258.140.060.343ictA GO:0000166 GO:0003756 GO:0005623 GO:0016491 GO:0045454 GO:0050451 GO:0050660 GO:0050661 GO:0055114
40.060.2096.740.040.292x6kA GO:0000166 GO:0000421 GO:0005524 GO:0005769 GO:0006897 GO:0006914 GO:0009267 GO:0010506 GO:0016301 GO:0016303 GO:0016310 GO:0016322 GO:0016740 GO:0033227 GO:0034271 GO:0035004 GO:0035005 GO:0035032 GO:0035096 GO:0036092 GO:0045850 GO:0046854 GO:0046934 GO:0048015
50.060.1617.660.020.242cb1A GO:0003824 GO:0016829 GO:0030170
60.060.1706.490.040.231c9wA GO:0004032 GO:0005737 GO:0016491 GO:0055114
70.060.1867.700.060.281sezA GO:0004729 GO:0005739 GO:0006779 GO:0006782 GO:0006783 GO:0016491 GO:0055114
80.060.1615.880.040.212yhaA GO:0003676
90.060.1356.130.030.184gq0A GO:0001523 GO:0001758 GO:0004033 GO:0005576 GO:0005764 GO:0005829 GO:0006081 GO:0007586 GO:0008202 GO:0016488 GO:0016491 GO:0044597 GO:0044598 GO:0045550 GO:0047718 GO:0055114 GO:0070062
100.060.1717.510.020.254cnjA GO:0000166 GO:0016491 GO:0055114
110.060.1517.140.040.221qzzA GO:0008168 GO:0008171 GO:0016829 GO:0016831 GO:0017000 GO:0032259
120.060.1477.410.040.215chsB GO:0000166 GO:0001172 GO:0003824 GO:0003968 GO:0004482 GO:0005524 GO:0006139 GO:0006370 GO:0006397 GO:0008152 GO:0008168 GO:0016740 GO:0016779 GO:0019012 GO:0030430 GO:0032259 GO:0036265 GO:0039689
130.060.1516.310.040.202exxA GO:0000050 GO:0005634 GO:0005737 GO:0005829 GO:0048471
140.060.1444.920.090.174q16D GO:0000166 GO:0003952 GO:0005524 GO:0005737 GO:0008795 GO:0009435 GO:0016874
150.060.1606.920.050.222ip2A GO:0008168 GO:0008171 GO:0008757 GO:0016740 GO:0019438 GO:0032259
160.060.1656.880.060.234pmxA GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0031176 GO:0045493 GO:0046872
170.060.1706.760.040.234hnnF GO:0003824 GO:0008152 GO:0008840 GO:0009089 GO:0016829
180.060.1366.810.040.194dppA GO:0003824 GO:0008152 GO:0008652 GO:0008840 GO:0009085 GO:0009089 GO:0009507 GO:0009536 GO:0016829 GO:0019877


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0051539 GO:0003756 GO:0050661 GO:0016303 GO:0050451 GO:0050660 GO:0046934 GO:0035005
GO-Score 0.12 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Biological Processes GO:0006790 GO:0031163 GO:0051188
GO-Score 0.36 0.36 0.36
Cellular Component GO:0005769 GO:0034271 GO:0000421
GO-Score 0.06 0.06 0.06

(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.