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I-TASSER results for job id Rv2410c

[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
10.22 11 1yyuA RAZ Rep, Mult 45,48,68,71,72,161,166,199,292,295
20.04 2 2ongB MN Rep, Mult 166,194,198
30.04 2 4ea0A MG Rep, Mult 14,17,21
40.02 1 1dxoA DQN Rep, Mult 105,143
50.02 1 1iw7P MG Rep, Mult 227,231
60.02 1 3b6aD ZCT Rep, Mult 164,165
70.02 1 2a01B AC9 Rep, Mult 274,275,278
80.02 1 2q9yB MG Rep, Mult 75,209,300
90.02 1 4ecgA CA Rep, Mult 58,60
100.02 1 4f6xA MG Rep, Mult 97,157
110.02 1 3hykB A3P Rep, Mult 4,18
120.02 1 3bnxD POP Rep, Mult 199,207,299,300
130.02 1 4f8bB MG Rep, Mult 20,24

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
10.1181hm7A0.6843.260.1130.8094.2.3.7,4.6.1.5302
20.1092oa6D0.6943.600.0760.8494.2.3.9NA
30.1041di1A0.6503.960.0660.8314.2.3.916
40.0671kizA0.6654.080.0630.8494.2.3.6NA
50.0672azjA0.5664.110.0390.7322.5.1.1NA
60.0672azkA0.5654.140.0390.7352.5.1.1,2.5.1.29,2.5.1.10NA
70.0671rqiA0.5734.180.1010.7452.5.1.10NA
80.0663npkA0.5254.030.0640.6772.5.1.10209,212,299
90.0662j1pB0.5374.340.0810.7142.5.1.1,2.5.1.10,2.5.1.29NA
100.0601mhyD0.4356.590.0430.7391.14.13.25NA
110.0602h8oA0.5604.110.0880.7262.5.1.10NA
120.0601ezfB0.5604.580.0910.7632.5.1.21167,195,205
130.0602f8zF0.5973.940.0730.7542.5.1.10,2.5.1.1NA
140.0601wmwA0.5804.200.0990.7572.5.1.-NA
150.0603ckeD0.6564.000.0810.8344.2.3.9NA
160.0603lk5A0.5694.230.0860.7452.5.1.133,66,82,84,108,136
170.0603kb9A0.7323.790.0810.8954.2.3.3772
180.0601hm7B0.7223.190.1180.8524.2.3.7,4.6.1.5NA
190.0601kv9A0.4466.400.0610.7391.1.99.-36
200.0603lomA0.5544.460.0780.7392.5.1.10166
210.0601dgpA0.6494.140.0620.8404.2.3.9,4.1.99.7141
220.0603g4dA0.6654.080.0610.8624.2.3.13NA
230.0602f89F0.5864.000.0720.7542.5.1.1,2.5.1.10NA
240.0602q80A0.5214.090.0630.6712.5.1.29,2.5.1.10,2.5.1.1191
250.0602j5cB0.6834.020.0520.8624.2.3.-228
260.0601hxgA0.6803.850.0650.8594.2.3.9,4.1.99.7NA
270.0601fpsA0.5794.120.0730.7542.5.1.1,2.5.1.10NA
280.0601v4eA0.5154.050.0740.6522.5.1.11NA

(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
00.240.7323.790.080.903kb9A GO:0016829 GO:0046872 GO:0052680
10.140.7463.100.080.885dz2A GO:0016829 GO:0034004 GO:0046872 GO:0052577
20.140.7693.100.090.914okmA GO:0046872
30.120.7243.370.070.874la6A GO:0010333 GO:0016829 GO:0042214 GO:0046872
40.120.7003.380.100.854mc8A GO:0016829
50.120.7143.410.090.864okmD GO:0046872
60.120.7223.190.120.851hm7B GO:0016829 GO:0017000 GO:0046872 GO:0050467
70.110.6973.430.080.855imiA GO:0016829 GO:0045483 GO:0046872
80.110.6494.140.060.841dgpA GO:0005737 GO:0016829 GO:0045483 GO:0046872
90.100.6843.260.110.811hm7A GO:0016829 GO:0017000 GO:0046872 GO:0050467
100.090.3686.090.060.593jruA GO:0004177 GO:0005622 GO:0005737 GO:0006508 GO:0008233 GO:0008235 GO:0016787 GO:0019538 GO:0030145 GO:0046872
110.090.6564.000.080.833ckeD GO:0016829 GO:0045483 GO:0046872
120.070.6343.690.070.795ermB GO:0003824 GO:0004311 GO:0008152 GO:0008299 GO:0016740 GO:0016829 GO:0046872
130.070.6043.600.070.755er8A GO:0003824 GO:0004311 GO:0008152 GO:0008299 GO:0016740 GO:0016829 GO:0046872
140.060.3666.670.050.633qwtA GO:0003824
150.060.3676.890.040.653pmmA GO:0003824
160.060.3586.350.080.604mivA GO:0003824 GO:0005764 GO:0006027 GO:0008152 GO:0008484 GO:0016250 GO:0016787 GO:0030200 GO:0043202 GO:0046872 GO:0070062
170.060.3326.150.050.532d09A GO:0004497 GO:0005506 GO:0016491 GO:0016705 GO:0020037 GO:0042440 GO:0046872 GO:0055114
180.060.3326.330.040.543v1hA GO:0004436 GO:0005576 GO:0006629 GO:0008081 GO:0009405 GO:0016042 GO:0016829
190.060.2846.450.060.483mz2A GO:0006629 GO:0008081 GO:0008889


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0016838
GO-Score 0.51 0.49
Biological Processes GO:0042214
GO-Score 0.12
Cellular Component
GO-Score

(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.