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I-TASSER results for job id Rv1964

[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
10.08 5 1xm6A 5RM Rep, Mult 102,105,106,109,126,127,201
20.08 5 3kziA CLA Rep, Mult 241,245
30.05 3 1s5lA CLA Rep, Mult 224,245
40.03 2 2axtH CLA Rep, Mult 132,135
50.03 2 4amjB 2CV Rep, Mult 146,150
60.02 1 2xctS CPF Rep, Mult 136,139
70.02 1 3ag1A CDL Rep, Mult 200,204,207,211
80.02 1 2o01H CLA Rep, Mult 113,123
90.02 1 2h1iB CA Rep, Mult 130,133
100.02 1 1cpcB CH2 Rep, Mult 141,192,194
110.02 1 5is0C 6ET Rep, Mult 101,206,213
120.02 1 3ddlB PX4 Rep, Mult 82,85
130.02 1 3rj1R SE Rep, Mult 98,107
140.02 1 4q7cB MPG Rep, Mult 59,125,126
150.02 1 1y2dA 4DE Rep, Mult 66,69,74,131,134
160.02 1 3f1f1 MG Rep, Mult 232,233
170.02 1 5klgA 6UC Rep, Mult 105,108
180.02 1 1v54A CDL Rep, Mult 158,207,211,214,218
190.02 1 4di0A FE Rep, Mult 127,131

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
10.0601gytJ0.4365.990.0660.7323.4.11.1151,219,236
20.0601m56A0.4484.870.0520.6411.9.3.1NA
30.0602cqsA0.3736.600.0370.6792.4.1.20NA
40.0603ecnB0.4395.670.0090.7023.1.4.17133
50.0601n1hA0.4385.510.0510.6872.7.7.48NA
60.0602j5cB0.4385.380.0770.6874.2.3.-NA
70.0601gytA0.4356.080.0650.7213.4.11.1NA
80.0601fftA0.4525.700.0560.7321.10.3.-NA
90.0602r7oA0.4435.620.0450.7022.7.7.48NA
100.0601cc1L0.4355.710.0500.6941.12.99.6146
110.0601zklA0.4425.460.0600.6943.1.4.17133
120.0602occN0.4985.440.0610.7961.9.3.1NA
130.0602hb6A0.4446.100.0450.7623.4.11.1NA
140.0602f6dA0.4325.670.0460.6793.2.1.373
150.0601ut9A0.4325.930.0470.7063.2.1.4NA
160.0601tazA0.4395.760.0540.7093.1.4.17130
170.0603kzwA0.4376.070.0540.7403.4.11.192,133,215
180.0601fbvA0.4455.690.0940.7066.3.2.19170,252
190.0603ij3A0.4336.100.0400.7433.4.11.1NA

(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
00.330.4955.600.050.801occA GO:0004129 GO:0005506 GO:0005739 GO:0005743 GO:0006119 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0045277 GO:0046872 GO:0055114 GO:0070469 GO:1902600
10.190.5075.460.070.823o0rB GO:0004129 GO:0005506 GO:0005886 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0016491 GO:0016966 GO:0019333 GO:0020037 GO:0046872 GO:0055114 GO:0070469 GO:1902600
20.180.4484.870.050.641m56A GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0006119 GO:0006810 GO:0006811 GO:0009055 GO:0009060 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0022900 GO:0046872 GO:0055114 GO:0070469 GO:1902600
30.070.5055.540.080.824xydA GO:0004129 GO:0005506 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0016491 GO:0016966 GO:0020037 GO:0055114 GO:0070469 GO:1902600
40.070.5025.410.070.813ayfA GO:0004129 GO:0005506 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0020037 GO:0046872 GO:0055114 GO:1902600
50.070.4525.700.060.731fftA GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0005887 GO:0006811 GO:0009055 GO:0009060 GO:0009319 GO:0009486 GO:0015078 GO:0015453 GO:0015990 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0016682 GO:0019646 GO:0020037 GO:0046872 GO:0048039 GO:0055114 GO:0070469
60.060.4815.520.070.773eh3A GO:0004129 GO:0005506 GO:0005886 GO:0006119 GO:0006811 GO:0009055 GO:0009060 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0070469 GO:1902600
70.060.4835.790.040.802yevA GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0006119 GO:0006810 GO:0006811 GO:0009055 GO:0009060 GO:0015002 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0022900 GO:0022904 GO:0046872 GO:0055114 GO:0070469 GO:1902600
80.060.4885.750.050.825djqA GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0005887 GO:0006119 GO:0009055 GO:0009060 GO:0015078 GO:0015990 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0016705 GO:0019411 GO:0019646 GO:0019825 GO:0020037 GO:0045154 GO:0045278 GO:0046872 GO:0055114 GO:0070069 GO:0070469 GO:0070470 GO:1902600
90.060.4484.940.060.641qleA GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0006119 GO:0006810 GO:0006811 GO:0009055 GO:0009060 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0022900 GO:0046872 GO:0055114 GO:0070469 GO:1902600
100.060.2894.950.040.432vcvA GO:0004364 GO:0005737 GO:0005829 GO:0006749 GO:0008152 GO:0016740 GO:0070062 GO:1901687
110.060.3196.570.060.563e49A GO:0003824 GO:0016740 GO:0019475 GO:0046872
120.060.2675.430.050.412ohfA GO:0000166 GO:0005524 GO:0005525 GO:0005634 GO:0005730 GO:0005737 GO:0005813 GO:0005913 GO:0016020 GO:0016787 GO:0016887 GO:0043022 GO:0043023 GO:0046034 GO:0046872 GO:0070062 GO:0098609 GO:0098641
130.060.3145.180.030.474aq4A GO:0001407 GO:0005215 GO:0006810 GO:0015794 GO:0030288 GO:0042597
140.060.2916.270.040.492uxyA GO:0004040 GO:0006807 GO:0015976 GO:0016787 GO:0016810 GO:0043605
150.060.3075.090.040.464q5rA GO:0004364 GO:0016740
160.060.2676.300.030.464ekzA GO:0000302 GO:0003756 GO:0004656 GO:0005178 GO:0005576 GO:0005783 GO:0005788 GO:0005793 GO:0005886 GO:0005925 GO:0006457 GO:0009897 GO:0016020 GO:0016222 GO:0016853 GO:0018401 GO:0019899 GO:0031012 GO:0034663 GO:0034976 GO:0042158 GO:0042470 GO:0044822 GO:0045454 GO:0046598 GO:0046982 GO:0070062 GO:0071456 GO:1902175
170.060.2556.180.010.445cuvA GO:0000287 GO:0004427 GO:0005737 GO:0006796
180.060.2405.310.040.371kgsA GO:0000160 GO:0003677 GO:0005622 GO:0006351 GO:0006355 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0004129 GO:0020037 GO:0005506 GO:0016662
GO-Score 0.61 0.61 0.61 0.48
Biological Processes GO:1902600 GO:0009060 GO:0006119 GO:0071941
GO-Score 0.61 0.61 0.46 0.38
Cellular Component GO:0016021 GO:0005886 GO:0005743 GO:0045277
GO-Score 0.61 0.34 0.33 0.33

(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.