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I-TASSER results for job id Rv2323c

[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
10.77 35 1lxyA CIR Rep, Mult 57,102,105,107,108,127,156,172,201,203,204,289,290,295
20.09 4 2ci7A GLY Rep, Mult 57,102,105,127,172,289
30.05 4 6jdwA ABU Rep, Mult 198,201,203,204,220,243,244,247,290,295
40.02 2 3jdwA ORN Rep, Mult 200,201,203,204,290,295

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
10.1772a9gD0.7692.990.1850.8843.5.3.6197,204,291
20.0732jerD0.7133.360.1200.8483.5.3.12151,291
30.0692ewoH0.7043.700.1460.8583.5.3.12154,249,291
40.0601simA0.4406.260.0710.7423.2.1.18159,292
50.0602q3uA0.6983.680.0990.8513.5.3.12122,154,295
60.0601bwdA0.7493.030.1230.8682.1.4.2201,203,295
70.0601s9rA0.7722.800.1620.8843.5.3.6NA
80.0603elqB0.4396.390.0450.7552.8.2.2239
90.0601gjqA0.4356.260.0480.7251.7.99.1,1.7.2.1NA
100.0601yniB0.7452.890.1520.8743.5.3.23290
110.0601yiqA0.4696.120.0580.7651.1.99.-102
120.0602cmlC0.4326.200.0730.7353.2.1.18243
130.0601v0zA0.4326.240.0680.7253.2.1.18NA
140.0601kv9A0.4656.070.0820.7751.1.99.-NA
150.0601aomB0.4566.270.0620.7651.7.99.1,1.7.2.1NA
160.0601usrA0.4246.220.0700.7153.2.1.18134,298
170.0601jdwA0.7582.940.1160.8742.1.4.1127,201,203,295
180.0601kb0A0.4276.540.0500.7421.1.99.-102
190.0602jajB0.8161.910.1950.8813.5.3.18201,295
200.0602bixA0.4366.400.0300.7321.14.99.-NA
210.0601z4zA0.4306.230.0400.7253.2.1.18NA
220.0601wd8A0.5533.340.0950.6663.5.3.15296

(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
00.420.8121.110.190.831h70A GO:0016403 GO:0016787 GO:0046872
10.390.8161.910.200.882jajB GO:0000052 GO:0003073 GO:0003824 GO:0005739 GO:0005829 GO:0006525 GO:0006527 GO:0007263 GO:0016403 GO:0016597 GO:0016787 GO:0045429 GO:0045766 GO:0046872 GO:0050999 GO:0070062
20.330.7712.810.160.881lxyA GO:0005737 GO:0006525 GO:0006527 GO:0016787 GO:0016990 GO:0018101 GO:0019547
30.330.7663.000.180.881rxxC GO:0005737 GO:0006525 GO:0006527 GO:0016787 GO:0016990 GO:0018101 GO:0019546 GO:0019547
40.270.7513.160.190.884e4jA GO:0005737 GO:0006525 GO:0006527 GO:0016787 GO:0016990 GO:0018101 GO:0019547
50.150.7653.040.170.894bofB GO:0005737 GO:0006525 GO:0006527 GO:0016787 GO:0016990 GO:0018101 GO:0019547
60.140.7582.940.120.871jdwA GO:0005737 GO:0005739 GO:0005743 GO:0005758 GO:0006600 GO:0006601 GO:0015067 GO:0015068 GO:0016020 GO:0016740 GO:0070062
70.140.7493.030.120.871bwdA GO:0015067 GO:0015069 GO:0016740 GO:0017000 GO:0019872
80.070.5193.620.080.655an9I GO:0000054 GO:0000460 GO:0000470 GO:0003743 GO:0005634 GO:0005730 GO:0005737 GO:0005829 GO:0006412 GO:0006413 GO:0030687 GO:0042254 GO:0042256 GO:0042273 GO:0043022 GO:0043023 GO:1902626
90.070.5133.690.060.641g61A GO:0000054 GO:0000460 GO:0000470 GO:0003743 GO:0005730 GO:0005829 GO:0006412 GO:0006413 GO:0030687 GO:0042256 GO:0043022 GO:0043023 GO:1902626
100.070.5133.610.090.644adxI GO:0003743 GO:0006412 GO:0006413 GO:0042256 GO:0043022
110.070.5233.590.060.653jcty GO:0000054 GO:0000463 GO:0000466 GO:0003743 GO:0005634 GO:0005730 GO:0005737 GO:0005829 GO:0006364 GO:0006412 GO:0006413 GO:0030687 GO:0042254 GO:0042256 GO:0042273 GO:0042802 GO:0043022 GO:0043023 GO:1902626
120.070.5223.420.080.644v8pAJ GO:0000054 GO:0000460 GO:0000470 GO:0003743 GO:0005634 GO:0005730 GO:0005737 GO:0005829 GO:0006412 GO:0006413 GO:0030687 GO:0042254 GO:0042256 GO:0042273 GO:0043022 GO:0043023 GO:1902626
130.060.3416.320.010.562nwhA GO:0016301 GO:0016310 GO:0016740 GO:0016773
140.060.3527.020.040.643rmjB GO:0003824 GO:0003852 GO:0008652 GO:0009082 GO:0009098 GO:0016740 GO:0019752 GO:0046912
150.060.3466.210.060.574mduB GO:0005509 GO:0005544 GO:0042802 GO:0046872
160.060.2906.450.060.511oxyA GO:0005344 GO:0005507 GO:0005576 GO:0005615 GO:0006810 GO:0008152 GO:0015671 GO:0016491 GO:0031404 GO:0046872 GO:0051259 GO:0055114
170.060.3246.800.040.582w41B GO:0000166 GO:0004370 GO:0005524 GO:0005739 GO:0005975 GO:0006071 GO:0006072 GO:0006641 GO:0016301 GO:0016310 GO:0016740 GO:0016773 GO:0046167
180.060.3455.890.080.555ifyA GO:0008879 GO:0009058 GO:0016740 GO:0016779 GO:0045226 GO:0046872
190.060.3485.710.060.555idsA GO:0008879 GO:0009058 GO:0016740 GO:0016779 GO:0045226 GO:0046872
200.060.2806.890.040.515fhdB GO:0000723 GO:0003678 GO:0004386 GO:0005524 GO:0006281 GO:0032508
210.060.2807.080.040.535ftcA GO:0000723 GO:0003678 GO:0004386 GO:0005524 GO:0006281 GO:0032508
220.060.2786.480.040.482f9iB GO:0000166 GO:0003989 GO:0005524 GO:0005737 GO:0006629 GO:0006631 GO:0006633 GO:0008270 GO:0009317 GO:0016874 GO:0046872 GO:2001295
230.060.2746.770.090.484zj8A GO:0004373 GO:0004871 GO:0004930 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0007218 GO:0007268 GO:0007631 GO:0008188 GO:0016020 GO:0016021 GO:0016499 GO:0017046 GO:0032870 GO:0042277 GO:0045187 GO:0051480 GO:1901652


Consensus prediction of GO terms
 
Molecular Function GO:0016990 GO:0016403 GO:0046872 GO:0016597
GO-Score 0.67 0.64 0.64 0.39
Biological Processes GO:0019547 GO:0018101 GO:0007263 GO:0003073 GO:0045766 GO:0050999 GO:0045429 GO:0019546
GO-Score 0.67 0.67 0.39 0.39 0.39 0.39 0.39 0.33
Cellular Component GO:0005829 GO:0070062 GO:0005739
GO-Score 0.39 0.39 0.39

(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.