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I-TASSER results for job id Rv3694c

[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
10.05 2 3u32N DCW Rep, Mult 219,226
20.05 2 1fz8B 2BM Rep, Mult 114,117,118,191
30.05 2 2o011 CLA Rep, Mult 275,276
40.03 1 1xvgB BRJ Rep, Mult 173,174,223,228
50.03 1 2a6hC STD Rep, Mult 174,178,181,209
60.03 1 1xvgA BRJ Rep, Mult 66,67,70,107,110,111
70.03 1 5ezmA MPG Rep, Mult 48,52,296,300,303
80.03 1 1xvgB BRJ Rep, Mult 165,166,170,210
90.03 1 3a0bk CLA Rep, Mult 261,266
100.03 1 5ezmA MPG Rep, Mult 38,41,286
110.03 1 1xveA 3BB Rep, Mult 233,236,237,260,261
120.03 1 2r9rB PGW Rep, Mult 156,157
130.03 1 1frfL SF4 Rep, Mult 41,217
140.03 1 1xvfA 3CL Rep, Mult 46,65,194,197,198
150.03 1 3f1f2 MG Rep, Mult 27,31
160.03 1 1brrC ARC Rep, Mult 264,267,275

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
10.0601clqA0.3786.510.0320.6212.7.7.7180
20.0601cdgA0.3906.680.0410.6762.4.1.19NA
30.0601jswB0.4055.280.0640.5914.3.1.1NA
40.0601jqnA0.4186.180.0540.6674.1.1.31NA
50.0602hvgA0.3855.360.0550.5674.3.2.2NA
60.0603hmjA0.3886.770.0480.6672.3.1.86NA
70.0601l2aE0.4026.570.0470.6543.2.1.439
80.0603iydC0.3956.060.0500.6332.7.7.6227,263
90.0603gtdA0.4065.260.0540.5854.2.1.2NA
100.0603e04D0.4005.380.0510.5764.2.1.2258
110.0601a47A0.3836.740.0520.6702.4.1.19NA
120.0601mhyD0.4106.560.0620.6881.14.13.25NA
130.0602occN0.4026.630.0590.6881.9.3.1NA
140.0601z45A0.4096.330.0610.6515.1.3.2,5.1.3.3NA
150.0601fftA0.4036.550.0510.6791.10.3.-26
160.0609cgtA0.3816.890.0440.6732.4.1.19NA
170.0603eqlM0.3995.940.0360.6242.7.7.642
180.0601yfeA0.4035.310.0580.5764.2.1.2NA
190.0603i4zA0.4025.680.0470.5972.5.1.34NA

(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
00.070.4435.860.050.684wl5A GO:0004519 GO:0090305
10.060.4106.560.060.691mhyD GO:0004497 GO:0006725 GO:0006730 GO:0015049 GO:0016491 GO:0046872 GO:0055114
20.060.3145.940.070.483odmC GO:0000287 GO:0003824 GO:0006099 GO:0006107 GO:0008964 GO:0015977 GO:0016829
30.060.3116.840.070.552hg4D GO:0003824 GO:0008152 GO:0009058 GO:0016740 GO:0016746 GO:0016788 GO:0017000 GO:0031177 GO:0033068 GO:0047879 GO:0048037
40.060.3327.010.030.602z1kA GO:0003824 GO:0005975
50.060.3836.470.050.642innA GO:0006725 GO:0016491 GO:0046872 GO:0055114
60.060.2876.540.030.485ej4A GO:0000287 GO:0003824 GO:0009234 GO:0016740 GO:0030145 GO:0030976 GO:0046872 GO:0070204
70.060.4046.650.050.681fziA GO:0004497 GO:0006725 GO:0006730 GO:0015049 GO:0015050 GO:0015947 GO:0016491 GO:0046872 GO:0055114
80.060.4156.110.070.672incA GO:0004497 GO:0006725 GO:0016491 GO:0046872 GO:0055114
90.060.3106.360.080.513vatA GO:0004177 GO:0005576 GO:0005634 GO:0005654 GO:0005737 GO:0006508 GO:0006518 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0046872 GO:0070006 GO:0072562
100.060.4186.180.050.671jqnA GO:0000287 GO:0003824 GO:0005829 GO:0006099 GO:0006107 GO:0008152 GO:0008964 GO:0015977 GO:0016829
110.060.3045.250.040.444fj0D GO:0000166 GO:0016491 GO:0055114
120.060.3386.130.040.541booA GO:0003677 GO:0006306 GO:0008168 GO:0008170 GO:0009307 GO:0015667 GO:0016740 GO:0032259 GO:0090124
130.060.2936.600.050.515ff2A GO:0003824 GO:0016491 GO:0016765 GO:0046872 GO:0051188 GO:0051536 GO:0051537 GO:0051539 GO:0055114
140.060.2786.470.040.461v9nA GO:0005737 GO:0006099 GO:0008152 GO:0016491 GO:0030060 GO:0055114
150.060.4096.560.070.694uolA GO:0003824 GO:0005737 GO:0006099 GO:0008152 GO:0008964 GO:0015977 GO:0015979 GO:0016829
160.060.4176.190.050.684bxcA GO:0003824 GO:0005737 GO:0006099 GO:0008152 GO:0008964 GO:0009760 GO:0015977 GO:0015979 GO:0016829
170.060.2686.730.060.472xy4A GO:0005886 GO:0010043 GO:0030001 GO:0046872
180.060.2697.250.030.493flmA GO:0000287 GO:0003824 GO:0009234 GO:0016740 GO:0030145 GO:0030976 GO:0046872 GO:0070204


Consensus prediction of GO terms
 
Molecular Function GO:0015049 GO:0004519 GO:0000287 GO:0008964 GO:0047879 GO:0048037 GO:0031177
GO-Score 0.07 0.07 0.06 0.06 0.06 0.06 0.06
Biological Processes GO:0090305 GO:0006730 GO:0033068 GO:0015977 GO:0006107 GO:0005975 GO:0006099
GO-Score 0.07 0.07 0.06 0.06 0.06 0.06 0.06
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.