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I-TASSER results for job id Rv2983

[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
10.17 6 3oh0A UTP Rep, Mult 15,16,17,18,62,82,91,92,115,116
20.14 5 1h7tB UUU Rep, Mult 15,16,17,91,96,114,115,116,117,188,190
30.03 1 3twdB GOB Rep, Mult 23,24,25,26,30,39
40.03 1 2oi7A GN1 Rep, Mult 14,17,61,62,63,64
50.03 1 1vpaA CTP Rep, Mult 15,16,17,18,22,23,24,25,92,115,116,188
60.03 1 3cgxA IMD Rep, Mult 23,39,116
70.03 1 1hm8A ACO Rep, Mult 12,59,60,61,62,63,80
80.03 1 1bh9B PMB Rep, Mult 42,45,46,49
90.03 1 3pkpA MG Rep, Mult 25,116,189

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
10.4271wvcA0.6593.710.1170.8652.7.7.3325
20.4062e3dC0.6753.770.1210.8882.7.7.925
30.2101qwjB0.6633.540.1580.8322.7.7.4323,114,188,190
40.2041h7tA0.6773.590.1280.8602.7.7.38115,147,190
50.1642px7A0.6383.300.1350.7942.7.7.6047,49
60.1631vgwB0.6703.360.1350.8272.7.7.6023
70.1291lvwA0.6524.080.1420.8922.7.7.2425
80.0961h7eA0.6763.600.1280.8602.7.7.38NA
90.0812vsiB0.6613.480.1450.8322.7.7.60NA
100.0792d0jC0.6063.160.0970.7622.4.1.13543,46
110.0741fxoB0.6533.960.1830.8882.7.7.2425
120.0711vicA0.6633.850.1450.8602.7.7.3825
130.0713hl3A0.6793.460.1300.8652.7.7.2425
140.0672j0aA0.5994.350.1030.8552.4.1.22217,147,178
150.0671ll0B0.6313.610.0640.8462.4.1.186NA
160.0661v82A0.6013.130.0980.7572.4.1.13536
170.0662d0jA0.6083.160.0870.7622.4.1.135NA
180.0601jv3A0.7003.740.0830.9212.7.7.23NA
190.0601i52A0.6843.420.1190.8652.7.7.60,2.7.7.-25
200.0601eziA0.6493.210.1810.7992.7.7.4335,114,120,188,191,195,198
210.0603dk5A0.7113.600.1430.8972.3.1.15725
220.0602icyB0.6794.190.0870.9582.7.7.919,24,38
230.0602oefA0.6564.340.1130.9392.7.7.9112
240.0603f1cB0.6713.700.1530.8552.7.7.60194
250.0603d8vA0.7263.590.1490.9212.7.7.23,2.3.1.157NA
260.0603k8dA0.6763.340.1760.8462.7.7.3825
270.0602pa4B0.6853.750.1360.8972.7.7.925
280.0603fwwA0.6823.810.1030.8832.3.1.157,2.7.7.2325
290.0603brkX0.6643.940.1120.8972.7.7.2726
300.0601vpaA0.6993.280.1120.8742.7.7.6025
310.0603jtjA0.6643.910.1510.8602.7.7.3825
320.0601hm9B0.7003.550.0980.8882.3.1.157,2.7.7.2315,116,145
330.0603gueA0.6814.320.0870.9582.7.7.919,24,40,115,191,194

(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
00.400.8351.450.240.892i5eA GO:0000166 GO:0005525 GO:0009108 GO:0016740 GO:0016779 GO:0043814
10.260.6763.600.130.861h7eA GO:0005737 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
20.250.6673.500.120.842y6pB GO:0005737 GO:0005829 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
30.230.6763.340.180.853k8dA GO:0000287 GO:0005737 GO:0005829 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
40.210.7113.600.140.903dk5A 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
50.200.6823.810.100.883fwwA 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
60.190.6623.830.180.873polA GO:0005737 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
70.190.6603.760.120.862ux8A GO:0003983 GO:0006011 GO:0009058 GO:0016740 GO:0016779
80.190.6783.550.120.862xwlB GO:0000166 GO:0003824 GO:0008299 GO:0016114 GO:0016740 GO:0016779 GO:0019288 GO:0050518
90.180.6843.420.120.861i52A GO:0000287 GO:0003824 GO:0005829 GO:0008299 GO:0016114 GO:0016740 GO:0016779 GO:0019288 GO:0042802 GO:0050518
100.170.6993.280.110.871vpaA GO:0003824 GO:0008299 GO:0016114 GO:0016740 GO:0016779 GO:0019288 GO:0050518
110.160.6863.410.160.864zdqA GO:0003824 GO:0008299 GO:0016114 GO:0016740 GO:0016779 GO:0019288 GO:0050518
120.140.7263.590.150.923d8vA 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
130.120.7093.750.100.932yqcA GO:0003977 GO:0005737 GO:0006048 GO:0008152 GO:0016740 GO:0016779 GO:0070569
140.110.7033.850.130.934bqhA GO:0003977 GO:0005829 GO:0006011 GO:0006048 GO:0008152 GO:0016740 GO:0016779 GO:0070569
150.110.6793.620.090.884jd0A GO:0009058 GO:0016740 GO:0016779
160.110.6713.170.160.833tqdA GO:0005737 GO:0005829 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
170.110.6633.540.160.831qwjB GO:0005634 GO:0005829 GO:0006054 GO:0006055 GO:0008781 GO:0016020 GO:0016740 GO:0016779
180.110.6893.590.110.871hm8A 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
190.100.6993.690.120.902oi6B 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
200.100.6853.750.140.902pa4B GO:0003983 GO:0009058 GO:0016740 GO:0016779
210.100.6673.640.110.872ux8G GO:0003983 GO:0006011 GO:0009058 GO:0016740 GO:0016779
220.090.6793.710.110.884e1kA 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
230.090.6653.770.160.885idsA GO:0008879 GO:0009058 GO:0016740 GO:0016779 GO:0045226 GO:0046872
240.090.6643.910.150.863jtjA GO:0005737 GO:0005829 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
250.080.6683.750.110.872ggoA GO:0000166 GO:0003977 GO:0009058 GO:0016740 GO:0016779 GO:0019134
260.070.6633.850.140.861vicA GO:0005737 GO:0005829 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
270.070.6633.860.160.863oamA GO:0005737 GO:0005829 GO:0008690 GO:0009103 GO:0009244 GO:0016740 GO:0016779 GO:0019294 GO:0033468
280.070.6683.690.190.864xwiA GO:0005737 GO:0005829 GO:0008690 GO:0009103 GO:0016740 GO:0016779 GO:0019294 GO:0033468
290.070.6753.770.120.892e3dC GO:0000287 GO:0003983 GO:0005829 GO:0006011 GO:0009058 GO:0009103 GO:0009242 GO:0016740 GO:0016779 GO:0033499
300.070.6753.840.110.894d48B GO:0003983 GO:0006011 GO:0009058 GO:0016740 GO:0016779
310.070.6803.870.120.895i1fA GO:0003983 GO:0006011 GO:0009058 GO:0016740 GO:0016779
320.070.6623.790.090.873jujA GO:0003983 GO:0006011 GO:0009058 GO:0016740 GO:0016779


Consensus prediction of GO terms
 
Molecular Function GO:0008690 GO:0008080 GO:0070569 GO:0005525 GO:0043814 GO:0000287
GO-Score 0.57 0.43 0.43 0.40 0.40 0.40
Biological Processes GO:0019294 GO:0033468 GO:0000270 GO:1901271 GO:0044038 GO:0046349 GO:0009273 GO:0022604 GO:0008654 GO:0045229 GO:0006047 GO:0009247 GO:0065008 GO:0006024 GO:0046493 GO:0009108
GO-Score 0.57 0.57 0.43 0.43 0.43 0.43 0.43 0.43 0.43 0.43 0.43 0.43 0.43 0.43 0.43 0.40
Cellular Component GO:0005829
GO-Score 0.42

(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.