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

I-TASSER results for job id Rv0776c

[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
10.24 13 3hm9A MG Rep, Mult 7,56
20.04 2 1hkbA CA Rep, Mult 207,210,212,214
30.04 2 2e2qA ADP Rep, Mult 9,11,14,15,17,181,182,184,185,188,229,231,233,235
40.04 2 4dlmA ZN Rep, Mult 207,259
50.04 2 1k9yA MG Rep, Mult 124,204,206,207
60.02 1 1zc60 III Rep, Mult 191,193,194,199,203,207,210,214,239,242,243,244
70.02 1 1qgxA MG Rep, Mult 92,124
80.02 1 3imxA NA Rep, Mult 61,64,65,66
90.02 1 2ch6D GLC Rep, Mult 9,14,17,33
100.02 1 2wc9A MN Rep, Mult 7,128

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
10.1452e2oA0.8312.210.1120.9302.7.1.1NA
20.0661woqA0.5413.600.0930.7032.7.1.63NA
30.0663bf3A0.5434.120.0780.7452.7.1.337,100,229
40.0663eo3A0.5754.190.1070.7955.1.3.14,2.7.1.60NA
50.0662f9wA0.5314.190.1200.7412.7.1.337,229
60.0661q18A0.5674.560.1080.8192.7.1.2NA
70.0602iirJ0.5894.360.0560.8112.7.2.1129
80.0602ewsA0.5833.410.0890.7382.7.1.337,255
90.0602aa4A0.5944.100.1360.8192.7.1.60NA
100.0602e20A0.5774.780.0530.8342.7.2.15NA
110.0601ig8A0.6124.620.0780.8612.7.1.1NA
120.0603f9mA0.7033.510.0740.8842.7.1.2NA
130.0602ivpA0.5803.930.1230.7843.4.24.579,181
140.0602ch5A0.7563.170.0860.9382.7.1.5912,128
150.0603en9A0.5913.770.1370.7883.4.24.5759
160.0602uytA0.6064.070.0800.8192.7.1.59
170.0602d4wA0.6014.180.0800.8222.7.1.307
180.0601hkgA0.6673.890.1000.8762.7.1.1234
190.0601zc6B0.7013.430.1260.8922.7.1.597,12
200.0602aa4B0.5924.150.1360.8192.7.1.6012
210.0603flcX0.6313.950.0600.8382.7.1.30209
220.0602iirA0.5864.500.0500.8262.7.2.1NA
230.0603b8aX0.6773.640.0910.8732.7.1.1NA
240.0603hz6A0.5784.470.0790.8302.7.1.1737
250.0601bdgA0.6913.490.0570.8732.7.1.1NA

(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
00.180.8312.210.110.932e2oA GO:0000166 GO:0004396 GO:0016301 GO:0016310 GO:0016740 GO:0046835
10.140.7563.170.090.942ch5A GO:0000166 GO:0005524 GO:0005829 GO:0006044 GO:0006048 GO:0006051 GO:0009384 GO:0016301 GO:0016310 GO:0016740 GO:0019262 GO:0045127 GO:0046835 GO:0070062
20.130.7133.260.120.891zc6B GO:0016301 GO:0016310 GO:0016740 GO:0045127 GO:0046835
30.070.5504.470.100.784o5fA GO:0000166 GO:0004594 GO:0005524 GO:0005737 GO:0015937 GO:0016301 GO:0016310 GO:0016740
40.070.5754.190.110.803eo3A GO:0000166 GO:0003824 GO:0004553 GO:0005524 GO:0005737 GO:0005829 GO:0006045 GO:0006047 GO:0006054 GO:0007155 GO:0008152 GO:0008761 GO:0009384 GO:0016301 GO:0016310 GO:0016740 GO:0016787 GO:0046835 GO:0046872
50.070.5514.400.120.775b8hA GO:0000166 GO:0004594 GO:0005524 GO:0005737 GO:0015937 GO:0016301 GO:0016310 GO:0016740
60.060.3826.200.080.674gpaA GO:0004872 GO:0004970 GO:0004971 GO:0005216 GO:0005234 GO:0005886 GO:0006810 GO:0006811 GO:0007268 GO:0008328 GO:0014069 GO:0016020 GO:0016021 GO:0030054 GO:0030425 GO:0032281 GO:0032983 GO:0034220 GO:0035235 GO:0042995 GO:0043025 GO:0043195 GO:0045202 GO:0045211 GO:0050803 GO:0050804 GO:0051968 GO:0060992
70.060.3406.080.040.591bhwA GO:0000287 GO:0005737 GO:0005975 GO:0006098 GO:0009045 GO:0016853 GO:0042732 GO:0046872
80.060.3466.030.060.592akzA GO:0000015 GO:0000287 GO:0001917 GO:0004634 GO:0005615 GO:0005622 GO:0005737 GO:0005829 GO:0005886 GO:0006094 GO:0006096 GO:0016020 GO:0016829 GO:0043025 GO:0043204 GO:0043209 GO:0046872 GO:0061621 GO:0070062
90.060.2946.190.060.512iveA GO:0004729 GO:0005737 GO:0006779 GO:0006782 GO:0006783 GO:0016020 GO:0016491 GO:0055114
100.060.3025.780.090.512p30A GO:0003824 GO:0008152
110.060.3215.940.060.543k53D GO:0005525 GO:0015093 GO:0015684 GO:0016020 GO:0016021 GO:1903874
120.060.2805.680.090.462wjgA GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005886 GO:0006810 GO:0006811 GO:0015093 GO:0015684 GO:0016020 GO:0016021 GO:0055072 GO:1903874
130.060.3315.930.060.573jcrV GO:0000245 GO:0000398 GO:0005634 GO:0005654 GO:0005681 GO:0006397 GO:0007049 GO:0008270 GO:0008380 GO:0016579 GO:0036459 GO:0046872 GO:0051301
140.060.2895.740.060.472gs9A GO:0008152 GO:0008168 GO:0032259
150.060.3285.670.050.541tiaA GO:0006629 GO:0016042 GO:0016787
160.060.2664.860.020.393w5iB GO:0005525 GO:0005886 GO:0006810 GO:0015093 GO:0015684 GO:0016020 GO:0016021 GO:0055072 GO:1903874
170.060.2675.020.040.413e2iA GO:0000166 GO:0004797 GO:0005524 GO:0005737 GO:0006259 GO:0008270 GO:0009157 GO:0016301 GO:0016310 GO:0016740 GO:0046872 GO:0071897
180.060.2494.560.060.354zhvA GO:0009279 GO:0016020 GO:0016021


Consensus prediction of GO terms
 
Molecular Function GO:0032559 GO:0035639 GO:0032550 GO:0019200 GO:0016773
GO-Score 0.50 0.50 0.50 0.50 0.40
Biological Processes GO:0046835
GO-Score 0.42
Cellular Component GO:0044444
GO-Score 0.40

(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.