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I-TASSER results for job id Rv2148c

[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
10.88 26 4v15A PLP Rep, Mult 45,47,68,161,193,227,228,229,244,245,246,247
20.02 1 4y2wA PO4 Rep, Mult 228,229,244,246,247
30.02 1 2oo0B N2P Rep, Mult 207,226,236,237,239

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
10.2193ct7A0.5713.160.0980.7025.1.3.-98,119
20.2072fliC0.5753.200.1030.7055.1.3.198,119
30.1981h1yB0.5643.070.1150.6865.1.3.1NA
40.1481xbzB0.5663.330.0750.7094.1.1.85111
50.1203exrA0.5733.320.0750.7094.1.1.85NA
60.1141j2wA0.5463.520.1080.7024.1.2.4NA
70.0952yw3E0.5403.060.1450.6554.1.2.14NA
80.0931vlwB0.5543.030.1090.6674.1.3.16NA
90.0883cu2B0.5973.420.0650.7295.1.3.1NA
100.0832c0aB0.5523.110.0970.6674.1.2.14,4.1.3.16154,229
110.0822v81A0.5423.330.1280.6744.1.2.21NA
120.0673inpA0.5813.010.0980.6985.1.3.1NA
130.0672cz5A0.5493.550.0820.6984.1.1.23NA
140.0671rpxA0.5823.320.0890.7095.1.3.1NA
150.0672czfA0.5513.480.1050.6904.1.1.23115,193
160.0671wbhB0.5523.110.0970.6674.1.3.16,4.1.2.14NA
170.0671vqtA0.5094.050.1020.6784.1.1.23NA
180.0661h1yA0.5653.060.1260.6865.1.3.1NA
190.0663f4wA0.5553.450.1150.7024.1.2.-227
200.0661tqjC0.5803.060.0870.6985.1.3.1NA
210.0602nv9B0.6832.980.0730.8144.1.1.19NA
220.0603gnrA0.6184.300.0700.8413.2.1.212
230.0601od0B0.6204.370.0810.8453.2.1.21NA
240.0603n2oA0.7492.830.0970.8844.1.1.1968
250.0601cbgA0.6204.310.0520.8453.2.1.21NA
260.0603hz3A0.6314.490.0920.8762.4.1.5NA
270.0602qghA0.7113.040.0880.8494.1.1.20NA
280.0601xfcA0.7072.890.1740.8305.1.1.147,161
290.0603f4vA0.5434.570.0630.7793.2.1.21NA
300.0601rcqA0.6712.810.1340.7875.1.1.147
310.0601tufA0.7193.270.1150.8804.1.1.20NA
320.0603n2bA0.7162.940.1200.8454.1.1.2047,193,246,248
330.0603bg3A0.6183.970.0460.8106.4.1.1NA
340.0602j66A0.6883.200.0930.8454.1.1.20NA
350.0603kw3B0.6803.050.1200.8145.1.1.1NA
360.0601epvA0.6823.150.1320.8265.1.1.147,161
370.0602pbgA0.6274.200.0510.8413.2.1.85NA
380.0602vd8A0.6853.300.1220.8375.1.1.1161
390.0601bgaA0.5504.220.0370.7603.2.1.21NA

(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
00.480.8191.730.290.873sy1A GO:0005829 GO:0030170
10.460.8061.920.250.881b54A GO:0005622 GO:0030170
20.260.6812.860.150.803co8A GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0018113 GO:0030170
30.260.7223.290.140.884bf5A GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
40.200.7133.030.090.853c5qA GO:0003824 GO:0008652 GO:0008836 GO:0009085 GO:0009089 GO:0016829 GO:0016831 GO:0030170
50.170.5203.690.060.674a3qA GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
60.140.7482.910.120.883nzqA GO:0003824 GO:0006527 GO:0006596 GO:0008295 GO:0008792 GO:0009446 GO:0016829 GO:0016831 GO:0033388 GO:0042597 GO:0046872
70.130.7492.830.100.883n2oA GO:0003824 GO:0006527 GO:0006596 GO:0008295 GO:0008792 GO:0016829 GO:0016831 GO:0046872
80.120.7093.220.140.851hkvA GO:0003824 GO:0005618 GO:0008652 GO:0008836 GO:0009085 GO:0009089 GO:0016829 GO:0016831 GO:0030170 GO:0040007
90.120.7162.940.120.843n2bA GO:0003824 GO:0008652 GO:0008836 GO:0009085 GO:0009089 GO:0016829 GO:0016831 GO:0030170
100.110.7143.360.110.881twiA GO:0003824 GO:0008652 GO:0008836 GO:0009085 GO:0009089 GO:0016829 GO:0016831 GO:0030170
110.110.6983.000.130.833n2bB GO:0003824 GO:0008652 GO:0008836 GO:0009085 GO:0009089 GO:0016829 GO:0016831 GO:0030170
120.110.7113.130.140.863vabA GO:0003824 GO:0008652 GO:0008836 GO:0009085 GO:0009089 GO:0016829 GO:0016831 GO:0030170
130.110.7002.980.110.844xg1B GO:0003824 GO:0008652 GO:0008836 GO:0009085 GO:0009089 GO:0016829 GO:0016831 GO:0030170
140.090.6803.250.090.834xg1A GO:0003824 GO:0008652 GO:0008836 GO:0009085 GO:0009089 GO:0016829 GO:0016831 GO:0030170
150.090.7063.000.110.833oo2A GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
160.090.6603.340.100.811knwA GO:0003824 GO:0008652 GO:0008836 GO:0009085 GO:0009089 GO:0016829 GO:0016831 GO:0030170
170.090.6833.210.140.832p3eB GO:0003824 GO:0008652 GO:0008836 GO:0009085 GO:0009089 GO:0016829 GO:0016831 GO:0030170
180.080.6832.980.070.812nv9B GO:0003824 GO:0006596
190.080.5254.800.050.761f3tB GO:0003824 GO:0004586 GO:0006596 GO:0016829 GO:0016831 GO:0033387
200.070.6443.090.120.774ilsA GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
210.070.7112.970.150.854dzaA GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
220.070.7232.670.120.834lusA GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
230.070.7072.890.170.831xfcA GO:0003824 GO:0006522 GO:0008784 GO:0009252 GO:0016853 GO:0030170 GO:0030632 GO:0040007
240.070.6902.950.130.822dy3D GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
250.070.7232.670.110.834luyA GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
260.070.7132.890.120.841vfsA GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
270.070.7302.630.120.844y2wA GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
280.070.6802.810.140.794wr3A GO:0003824 GO:0006522 GO:0008360 GO:0008784 GO:0009252 GO:0016853 GO:0030170 GO:0030632 GO:0071555
290.070.7173.090.150.864fs9A GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
300.070.6982.820.120.824eclA GO:0003824 GO:0006522 GO:0008784 GO:0016020 GO:0016021 GO:0016747 GO:0016853 GO:0016855 GO:0030170 GO:0046677
310.070.6803.050.120.813kw3B GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
320.070.6742.970.130.803s46A GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
330.070.6992.960.140.833e5pB GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
340.070.6883.200.090.842j66A GO:0003824 GO:0008836 GO:0009089 GO:0016829 GO:0016831 GO:0017000 GO:0042803
350.070.6692.900.140.792odoA GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
360.070.6863.200.110.833ha1A GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
370.070.6813.040.120.821sftA GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
380.070.6613.230.120.813hurA GO:0003824 GO:0006522 GO:0008784 GO:0016853 GO:0030170 GO:0030632
390.070.5494.840.040.793nzpB GO:0003824 GO:0006527 GO:0008295 GO:0008792 GO:0016829 GO:0016831
400.070.6673.010.110.804aibA GO:0003824 GO:0004586 GO:0005737 GO:0006596 GO:0016829 GO:0033387
410.070.4954.360.070.694fokA GO:0000166 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0030170 GO:0008784 GO:0016830
GO-Score 0.88 0.45 0.40
Biological Processes GO:0046145 GO:0046436 GO:0009085 GO:0046451
GO-Score 0.51 0.51 0.40 0.40
Cellular Component GO:0005829
GO-Score 0.48

(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.