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I-TASSER results for job id Rv2559c

[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
10.81 109 1sxjC AGS Rep, Mult 32,35,36,37,43,44,74,75,76,77,78,79,80,157,180,221,222,225
20.08 12 3glfC BEF Rep, Mult 74,75,78,79,129,222
30.04 8 2qbyB MG Rep, Mult 79,128,157
40.02 4 1hqcA ADE Rep, Mult 43,44,80,191,221,225
50.02 3 3glfD UUU Rep, Mult 146,167,171
60.01 2 3u60E NUC Rep, Mult 102,103,107
70.01 3 3u60B NUC Rep, Mult 102,103,107,132,134,136
80.00 1 2awb6 III Rep, Mult 102,108,109,110,111,112,113,116,117
90.00 1 3u61B NUC Rep, Mult 133,134,282
100.00 1 3glfH QNA Rep, Mult 107,134,136

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
10.2161ixsB0.4262.640.2170.4693.6.4.12157,222
20.1271in5A0.4232.600.2080.4653.6.4.12157,222
30.0601s1mB0.3576.550.0520.5496.3.4.2NA
40.0602vumB0.3557.420.0360.6002.7.7.6295
50.0603kx2B0.3526.560.0350.5333.6.4.1375,79,131
60.0603bq5A0.3506.570.0330.5332.1.1.14NA
70.0602pffB0.3656.650.0440.5572.3.1.86NA
80.0602vkzG0.3806.680.0400.5842.3.1.38,3.1.2.14NA
90.0602e1qA0.3557.550.0390.6201.17.3.2,1.17.1.4NA
100.0602pdaA0.3526.730.0460.5461.2.7.156
110.0601bxrA0.3477.720.0410.6116.3.5.544
120.0601eulA0.3067.380.0460.5203.6.3.8NA
130.0602uv8G0.3736.750.0420.5752.3.1.86NA
140.0603hmjA0.3797.080.0470.6202.3.1.86NA
150.0603b9jC0.2767.530.0460.4731.17.3.2,1.17.1.4NA
160.0603gtgB0.3577.410.0380.6022.7.7.689
170.0601q2lA0.3617.230.0360.5973.4.24.55NA
180.0601t7lA0.3486.880.0400.5512.1.1.14NA
190.0603glfG0.4303.440.1760.4982.7.7.7NA

(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
00.550.8791.610.430.923pvsD
10.340.4303.440.180.503glfG GO:0000166 GO:0003677 GO:0003689 GO:0003887 GO:0005524 GO:0005663 GO:0006260 GO:0006261 GO:0009360 GO:0016740 GO:0016779 GO:0016887 GO:0017111 GO:0030337 GO:0042802 GO:0043846 GO:0071897
20.310.4363.270.190.501iqpA GO:0000166 GO:0003677 GO:0004519 GO:0005524 GO:0006260 GO:0006281 GO:0006310 GO:0009378 GO:0016539 GO:0032508 GO:0090305
30.310.4413.680.110.512qbyA GO:0000166 GO:0003677 GO:0005524 GO:0006260
40.270.4123.030.160.463pfiA GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0006281 GO:0006310 GO:0006974 GO:0009378 GO:0009432 GO:0016787 GO:0032508
50.260.4342.370.190.472chqA GO:0000166 GO:0003677 GO:0003689 GO:0005524 GO:0005663 GO:0006260
60.260.4232.600.210.461in5A GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0006281 GO:0006310 GO:0006974 GO:0009378 GO:0009432 GO:0016787 GO:0032508
70.260.4262.640.220.471ixsB GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0006281 GO:0006310 GO:0006974 GO:0009378 GO:0009432 GO:0016787 GO:0032508
80.220.3305.050.120.441g4aE GO:0000166 GO:0005524 GO:0005737 GO:0005829 GO:0006508 GO:0009376 GO:0009408 GO:0016020 GO:0016887 GO:0042802 GO:0043335 GO:0070011
90.220.4233.560.170.491e94E GO:0000166 GO:0005524 GO:0005737 GO:0005829 GO:0006508 GO:0009376 GO:0009408 GO:0016020 GO:0016887 GO:0042802 GO:0043335 GO:0070011
100.140.4073.180.130.473eihA GO:0000166 GO:0005524 GO:0005634 GO:0005768 GO:0006810 GO:0007033 GO:0008568 GO:0010008 GO:0015031 GO:0016020 GO:0016125 GO:0016236 GO:0016887 GO:0031122 GO:0032511 GO:0042802 GO:0042803 GO:0045053 GO:0045324 GO:0051260 GO:0070676 GO:1990621
110.130.4492.940.200.502xszC GO:0000166 GO:0000812 GO:0003678 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0005815 GO:0005856 GO:0005913 GO:0006281 GO:0006310 GO:0006351 GO:0006355 GO:0006357 GO:0006974 GO:0007049 GO:0007067 GO:0007283 GO:0016020 GO:0016363 GO:0016568 GO:0016787 GO:0016887 GO:0031011 GO:0032508 GO:0034080 GO:0035267 GO:0040008 GO:0043231 GO:0043967 GO:0043968 GO:0051301 GO:0070062 GO:0071339 GO:0097255 GO:0098609 GO:0098641 GO:1903146 GO:1903955 GO:1904837 GO:1904874
120.130.4462.930.190.502c9oA GO:0000166 GO:0000812 GO:0003678 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0005815 GO:0005856 GO:0005913 GO:0006281 GO:0006310 GO:0006351 GO:0006355 GO:0006357 GO:0006974 GO:0007049 GO:0007067 GO:0007283 GO:0016020 GO:0016363 GO:0016568 GO:0016787 GO:0016887 GO:0031011 GO:0032508 GO:0034080 GO:0035267 GO:0040008 GO:0043231 GO:0043967 GO:0043968 GO:0051301 GO:0070062 GO:0071339 GO:0097255 GO:0098609 GO:0098641 GO:1903146 GO:1903955 GO:1904837 GO:1904874
130.120.4143.080.190.473whkA GO:0000166 GO:0000502 GO:0005524 GO:0005634 GO:0005737 GO:0006511 GO:0008540 GO:0010498 GO:0016787 GO:0016887 GO:0017025 GO:0022623 GO:0030163 GO:0030433 GO:0031595 GO:0031597 GO:0036402 GO:0043335 GO:0045899 GO:0070682 GO:1901800
140.110.4133.770.100.493u5zB GO:0000166 GO:0003677 GO:0005524 GO:0006260 GO:0039686
150.110.4153.390.140.471sxjB GO:0000166 GO:0003677 GO:0003689 GO:0005524 GO:0005634 GO:0005663 GO:0005829 GO:0006260 GO:0006272 GO:0006298 GO:0007049 GO:0007062 GO:0031389 GO:0031390 GO:0031391
160.090.4204.150.100.524xgcD GO:0000808 GO:0003677 GO:0003688 GO:0005634 GO:0005664 GO:0006260 GO:0006270
170.080.4213.600.170.491im2A GO:0000166 GO:0005524 GO:0005737 GO:0006508 GO:0009376 GO:0016887 GO:0043335 GO:0070011
180.070.4473.340.200.514ww4B GO:0000166 GO:0003678 GO:0004386 GO:0005524 GO:0005634 GO:0006281 GO:0006351 GO:0006355 GO:0006974 GO:0016568 GO:0016787 GO:0032508 GO:0043141


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0009378 GO:0003689 GO:0042802 GO:0003887 GO:0030337 GO:0004519
GO-Score 0.77 0.50 0.34 0.34 0.34 0.34 0.31
Biological Processes GO:0031668 GO:0006281 GO:0032508 GO:0006310 GO:0006261 GO:0071897 GO:0016539 GO:0090305
GO-Score 0.54 0.50 0.50 0.50 0.34 0.34 0.31 0.31
Cellular Component GO:0043846 GO:0005663
GO-Score 0.34 0.34

(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.