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I-TASSER results for job id Rv0371c

[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 1 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
10.43 33 1jylB MG Rep, Mult 23,105,181,183
20.27 54 5hs2A CTP Rep, Mult 11,12,13,14,15,16,17,18,23,24,77,80,81,84,103,104,105,181
30.20 45 4g3pA UD1 Rep, Mult 11,12,13,14,18,23,74,77,80,84,103,104,105,136,157,159,183
40.02 6 1yp3A ATP Rep, Mult 11,13,52,84,103,104,105,157,158,159
50.01 3 1hm8A ACO Rep, Mult 10,51,52,53,54,73
60.01 3 1h7tB SIA Rep, Mult 23,103,105,106,137,181,183
70.01 3 4e1kA 0N5 Rep, Mult 11,12,13,14,24,103,105,106,131,135,136,181
80.00 1 2vd4A P21 Rep, Mult 135,136,179,180,181,187,190,191
90.00 1 1w77A CU Rep, Mult 183,187
100.00 1 2w0wA LZS Rep, Mult 11,24,103,105,131,135,136,137
110.00 1 2oi7A GN1 Rep, Mult 12,15,53,54,55,56
120.00 1 3jukC MG Rep, Mult 18,184,185

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
10.4961vicA0.7683.050.1530.9542.7.7.3818
20.4411h7eA0.7812.840.1490.9442.7.7.3818
30.4411i52A0.8272.390.1470.9652.7.7.60,2.7.7.-18
40.3903k8dA0.7862.880.1660.9492.7.7.3818
50.3891wvcA0.7882.670.1440.9492.7.7.3318
60.3822pa4B0.8062.720.2220.9852.7.7.918
70.3701h5sB0.7882.850.1680.9702.7.7.2418
80.2551h7tA0.7842.820.1490.9442.7.7.3823,104,183
90.2531vgwB0.7722.820.1420.9292.7.7.6012,23,180
100.2451qwjB0.7472.730.1350.9042.7.7.4311,14,181,183
110.2121eziA0.7332.870.1720.8832.7.7.43181,184
120.1283jtjA0.7722.880.1590.9342.7.7.3818
130.1001hm8A0.8352.280.1420.9652.7.7.2318
140.0932ux8G0.7592.970.1570.9592.7.7.918
150.0931fxoB0.7942.720.1740.9652.7.7.24NA
160.0863dk5A0.8422.350.2090.9702.3.1.15718
170.0671kwsA0.6603.330.0840.8482.4.1.135105
180.0671fggA0.6523.240.0980.8432.4.1.135NA
190.0672d0jA0.6613.290.0970.8532.4.1.135NA
200.0672d0jC0.6593.290.1030.8532.4.1.135105
210.0671v82A0.6543.330.0980.8482.4.1.135NA
220.0662j0aA0.6263.930.1030.8582.4.1.222NA
230.0602vsiB0.7922.670.1460.9392.7.7.60169,172
240.0602px7A0.7562.500.1700.8932.7.7.6014,22,32,38
250.0601vpaA0.8242.450.1260.9702.7.7.6018
260.0602vd4A0.8212.590.1980.9752.3.1.157,2.7.7.2311,13,23,105
270.0603gueA0.7803.090.1550.9802.7.7.911,20,23,25,184,187
280.0601yp3C0.8292.380.1350.9752.7.7.2718
290.0603d8vA0.8512.450.1990.9902.7.7.23,2.3.1.15775
300.0603hl3A0.8012.630.1810.9542.7.7.2418
310.0601lvwA0.7832.780.2220.9592.7.7.2418
320.0602ux8A0.7513.010.1590.9492.7.7.918
330.0602e3dC0.7932.770.1520.9702.7.7.918
340.0601mc3A0.7822.550.1790.9342.7.7.2419
350.0601g3lD0.7912.740.1790.9652.7.7.2423,26,30,103,105,181
360.0601jv3A0.7843.040.1180.9902.7.7.2312,19,55
370.0602oi6B0.8482.370.1870.9802.3.1.157,2.7.7.23NA
380.0601w55A0.7822.590.1310.9292.7.7.60,4.6.1.1218

(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
00.870.9271.240.970.972we9B GO:0046872
10.690.9730.760.610.992wawA
20.410.8272.390.150.961i52A GO:0000287 GO:0003824 GO:0005829 GO:0008299 GO:0016114 GO:0016740 GO:0016779 GO:0019288 GO:0042802 GO:0050518
30.390.8262.350.210.952xwlB GO:0000166 GO:0003824 GO:0008299 GO:0016114 GO:0016740 GO:0016779 GO:0019288 GO:0050518
40.380.7572.520.220.873d5nA
50.370.8242.450.130.971vpaA GO:0003824 GO:0008299 GO:0016114 GO:0016740 GO:0016779 GO:0019288 GO:0050518
60.360.8182.490.170.973fwwA GO:0000287 GO:0000902 GO:0003824 GO:0003977 GO:0005737 GO:0006048 GO:0008152 GO:0008360 GO:0009103 GO:0009245 GO:0009252 GO:0016740 GO:0016746 GO:0016779 GO:0019134 GO:0046872 GO:0071555
70.360.8422.350.210.973dk5A GO:0000287 GO:0000902 GO:0003824 GO:0003977 GO:0005737 GO:0006048 GO:0008152 GO:0008360 GO:0009103 GO:0009245 GO:0009252 GO:0016740 GO:0016746 GO:0016779 GO:0019134 GO:0046872 GO:0071555
80.350.8012.520.140.932y6pB GO:0005737 GO:0005829 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
90.350.8482.370.190.982oi6B GO:0000287 GO:0000902 GO:0003824 GO:0003977 GO:0005737 GO:0005829 GO:0006048 GO:0008152 GO:0008360 GO:0009103 GO:0009245 GO:0009252 GO:0016740 GO:0016746 GO:0016779 GO:0019134 GO:0042802 GO:0046872 GO:0071555
100.340.7812.840.150.941h7eA GO:0005737 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
110.320.8122.690.150.974zdqA GO:0003824 GO:0008299 GO:0016114 GO:0016740 GO:0016779 GO:0019288 GO:0050518
120.310.8512.450.200.993d8vA GO:0000287 GO:0000902 GO:0003824 GO:0003977 GO:0005737 GO:0006048 GO:0008152 GO:0008360 GO:0009103 GO:0009245 GO:0009252 GO:0016740 GO:0016746 GO:0016779 GO:0019134 GO:0040007 GO:0046872 GO:0070569 GO:0071555
130.310.7513.010.160.952ux8A GO:0003983 GO:0006011 GO:0009058 GO:0016740 GO:0016779
140.310.8112.580.190.974e1kA GO:0000287 GO:0000902 GO:0003824 GO:0003977 GO:0005737 GO:0006048 GO:0008152 GO:0008360 GO:0009103 GO:0009245 GO:0009252 GO:0016740 GO:0016746 GO:0016779 GO:0019134 GO:0046872 GO:0071555
150.310.7862.880.170.953k8dA GO:0000287 GO:0005737 GO:0005829 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
160.280.7882.750.180.965i1fA GO:0003983 GO:0006011 GO:0009058 GO:0016740 GO:0016779
170.280.7793.020.130.964xwiA GO:0005737 GO:0005829 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
180.250.6933.230.170.872e8bA GO:0000166 GO:0003824 GO:0005525 GO:0005737 GO:0006777 GO:0016740 GO:0019720 GO:0046872 GO:0061603 GO:0070568
190.240.7682.890.170.965j49A GO:0003983 GO:0006011 GO:0009058 GO:0016740 GO:0016779
200.200.7472.730.140.901qwjB GO:0005634 GO:0005829 GO:0006054 GO:0006055 GO:0008781 GO:0016020 GO:0016740 GO:0016779
210.200.7663.180.190.963polA GO:0005737 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
220.180.8352.280.140.961hm8A GO:0000287 GO:0000902 GO:0003824 GO:0003977 GO:0005737 GO:0006048 GO:0008152 GO:0008360 GO:0009058 GO:0009103 GO:0009245 GO:0009252 GO:0016740 GO:0016746 GO:0016779 GO:0019134 GO:0046872 GO:0071555
230.180.8062.720.220.982pa4B GO:0003983 GO:0009058 GO:0016740 GO:0016779
240.160.7843.120.100.992yqcA GO:0003977 GO:0005737 GO:0006048 GO:0008152 GO:0016740 GO:0016779 GO:0070569
250.160.7592.970.160.962ux8G GO:0003983 GO:0006011 GO:0009058 GO:0016740 GO:0016779
260.150.7642.700.150.922ggoA GO:0000166 GO:0003977 GO:0009058 GO:0016740 GO:0016779 GO:0019134
270.150.7693.220.140.994bqhA GO:0003977 GO:0005829 GO:0006011 GO:0006048 GO:0008152 GO:0016740 GO:0016779 GO:0070569
280.150.7692.840.120.933tqdA GO:0005737 GO:0005829 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
290.150.7882.770.180.965idsA GO:0008879 GO:0009058 GO:0016740 GO:0016779 GO:0045226 GO:0046872
300.120.7722.880.160.933jtjA GO:0005737 GO:0005829 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
310.110.7683.050.150.951vicA GO:0005737 GO:0005829 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
320.100.7643.080.180.953oamA GO:0005737 GO:0005829 GO:0008690 GO:0009103 GO:0009244 GO:0016740 GO:0016779 GO:0019294 GO:0033468
330.100.7902.740.140.964d48B GO:0003983 GO:0006011 GO:0009058 GO:0016740 GO:0016779
340.100.7932.770.150.972e3dC GO:0000287 GO:0003983 GO:0005829 GO:0006011 GO:0009058 GO:0009103 GO:0009242 GO:0016740 GO:0016779 GO:0033499


Consensus prediction of GO terms
 
Molecular Function GO:0050518 GO:0042802 GO:0000287 GO:0000166
GO-Score 0.64 0.41 0.41 0.39
Biological Processes GO:0016114 GO:0019288
GO-Score 0.64 0.64
Cellular Component GO:0005829
GO-Score 0.41

(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.