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I-TASSER results for job id Rv2690c

[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 4 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
10.16 8 3l1lA ARG Rep, Mult 45,46,49,50,120,121,124,125,128,236,237,238,239,342,401
20.12 6 4us4A TRP Rep, Mult 42,43,47,48,49,50,128,236,237,239,338,342,405
30.04 2 3rbmD B73 Rep, Mult 113,117
40.04 2 2aczD AT5 Rep, Mult 120,121
50.02 1 2oyyB HEM Rep, Mult 111,115
60.02 1 2h2pA SEK Rep, Mult 338,342
70.02 1 3c46A 2HP Rep, Mult 129,155,156
80.02 1 3dh4A NA Rep, Mult 43,46,334,337,338
90.02 1 2q72A IXX Rep, Mult 121,124,154,155,158,377
100.02 1 3gjdA BOG Rep, Mult 111,473,474,476,479
110.02 1 2ou3B I3A Rep, Mult 91,98

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
10.0602b3xA0.2788.800.0450.4874.2.1.389
20.0601nekA0.2877.840.0560.4601.3.99.1,NA
30.0602nyaA0.2937.900.0420.4661.7.99.4NA
40.0602ckjA0.2618.490.0220.4371.17.1.4,1.17.3.2NA
50.0603b9jI0.1095.790.0250.1461.17.1.4,1.17.3.2447
60.0601kf6A0.3107.460.0390.4721.3.99.1NA
70.0601e1cA0.2938.140.0380.4785.4.99.261
80.0601knpA0.2997.130.0380.4431.4.3.16NA
90.0601tmoA0.2948.130.0340.4751.7.2.3NA
100.0601ea0A0.2918.280.0350.4811.4.1.13NA
110.0601xc6A0.2918.610.0550.5013.2.1.2395
120.0602wdqA0.3077.090.0500.4481.3.99.1179
130.0603b9jC0.2438.100.0580.4001.17.3.2,1.17.1.4NA
140.0601q16A0.3077.650.0380.4821.7.99.4NA
150.0603cirM0.2887.310.0440.4321.3.99.1NA
160.0601kfyA0.2877.670.0450.4431.3.99.1394
170.0601qhoA0.3017.730.0520.4733.2.1.133238,242
180.0601chuA0.2677.400.0570.4061.4.3.16NA
190.0602r7oA0.3008.640.0410.5162.7.7.4882,434

(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
00.140.5444.330.080.652q6hA GO:0005215 GO:0005328 GO:0005887 GO:0006810 GO:0006836 GO:0015293 GO:0016020 GO:0016021 GO:0055085
10.130.5303.600.100.603lrbA GO:0003333 GO:0005886 GO:0006810 GO:0006865 GO:0015171 GO:0015297 GO:0016020 GO:0016021
20.100.5573.570.100.633ob6B GO:0003333 GO:0005886 GO:0005887 GO:0006810 GO:0006865 GO:0015171 GO:0015179 GO:0015181 GO:0015297 GO:0015807 GO:0016020 GO:0016021 GO:0051454 GO:1902475 GO:1903826
30.070.6511.200.140.663gi9C GO:0003333 GO:0005886 GO:0005887 GO:0015171 GO:0015179 GO:0015297 GO:0015807 GO:0016020 GO:0016021 GO:1902475
40.070.5504.600.090.654djiA GO:0003333 GO:0005886 GO:0005887 GO:0006810 GO:0006865 GO:0015171 GO:0015179 GO:0015297 GO:0015807 GO:0016020 GO:0016021 GO:0051454 GO:1902475
50.070.5394.670.070.665i6xA GO:0001666 GO:0005328 GO:0005335 GO:0005768 GO:0005829 GO:0005886 GO:0005887 GO:0006810 GO:0006836 GO:0006837 GO:0007268 GO:0007420 GO:0007584 GO:0007613 GO:0007623 GO:0008504 GO:0009636 GO:0010008 GO:0010033 GO:0010628 GO:0012505 GO:0015222 GO:0015293 GO:0015844 GO:0016020 GO:0016021 GO:0017022 GO:0017075 GO:0017137 GO:0019811 GO:0021794 GO:0021941 GO:0032227 GO:0032355 GO:0035176 GO:0042310 GO:0042493 GO:0042713 GO:0042803 GO:0043005 GO:0045121 GO:0045665 GO:0045787 GO:0046621 GO:0046872 GO:0048854 GO:0050998 GO:0051015 GO:0051259 GO:0051260 GO:0051610 GO:0055085 GO:0071300 GO:0071310 GO:0071321 GO:0098793
60.070.5324.980.090.664xp9C GO:0005328 GO:0005329 GO:0005330 GO:0005886 GO:0005887 GO:0006810 GO:0006836 GO:0015293 GO:0015872 GO:0016020 GO:0016021 GO:0019811 GO:0030431 GO:0042745 GO:0043005 GO:0046872 GO:0051583 GO:0055085 GO:0072488 GO:0098793 GO:0099509 GO:1990834
70.070.4984.070.090.584us3A GO:0005328 GO:0006810 GO:0006836 GO:0015293 GO:0016020 GO:0016021 GO:0055085
80.060.2447.390.040.373jysA GO:0046872
90.060.2356.860.050.344z3nA GO:0006855 GO:0015238 GO:0015297 GO:0016020 GO:0016021 GO:0055085
100.060.2138.290.040.343r05A GO:0005886 GO:0007155 GO:0016020 GO:0016021 GO:0030054 GO:0042734 GO:0045202 GO:0046872 GO:0097109
110.060.1627.320.040.254kl8S GO:0008901 GO:0009375 GO:0016491 GO:0033748 GO:0042597 GO:0046872 GO:0051536 GO:0051539 GO:0055114
120.060.1627.260.040.251gq8A GO:0005576 GO:0005618 GO:0016787 GO:0030599 GO:0042545 GO:0045330 GO:0045490 GO:0071555
130.060.1726.340.040.241t8tB GO:0000139 GO:0005794 GO:0006024 GO:0008146 GO:0008467 GO:0016020 GO:0016021 GO:0016740 GO:0033872
140.060.1044.810.030.132kytA GO:0004623 GO:0005737 GO:0005783 GO:0005829 GO:0006629 GO:0006644 GO:0008654 GO:0008970 GO:0016020 GO:0016021 GO:0016042 GO:0016787 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0045786 GO:0048471 GO:0052739 GO:0052740
150.060.0935.250.040.125dclA GO:0000160 GO:0003677 GO:0005622 GO:0006351 GO:0006355
160.060.0934.090.050.112ejeA GO:0000981 GO:0003677 GO:0003700 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0006357 GO:0006366 GO:0006367 GO:0007165 GO:0014886 GO:0016020 GO:0016525 GO:0042995 GO:0043025 GO:0051019 GO:0051481
170.060.1154.720.030.141ijyA GO:0000122 GO:0001525 GO:0001934 GO:0004871 GO:0004888 GO:0004930 GO:0005102 GO:0005576 GO:0005794 GO:0005886 GO:0007165 GO:0007166 GO:0007186 GO:0007275 GO:0016020 GO:0016021 GO:0016055 GO:0017147 GO:0030165 GO:0031625 GO:0033077 GO:0035567 GO:0042813 GO:0043507 GO:0045944 GO:0060070 GO:1990851
180.060.0644.500.050.082h3jA GO:0046914


Consensus prediction of GO terms
 
Molecular Function GO:0015171 GO:0015297
GO-Score 0.32 0.32
Biological Processes GO:0046942 GO:0003333 GO:0045852 GO:0051453
GO-Score 0.54 0.32 0.31 0.31
Cellular Component GO:0005887
GO-Score 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.