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I-TASSER results for job id Rv3256c

[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
10.30 11 1tzcA PA5 Rep, Mult 64,65,66,67,106,107,108,111,157,158,242
20.02 1 3oojA G6Q Rep, Mult 80,229,322,326
30.02 1 4b3eJ CO3 Rep, Mult 121,123
40.02 1 3h87A MG Rep, Mult 100,108,111
50.02 1 2g9zA MG Rep, Mult 272,276
60.02 1 2idkA C2F Rep, Mult 232,240
70.02 1 3l26B MG Rep, Mult 85,93
80.02 1 3rbxA CA Rep, Mult 263,293
90.02 1 2wtfA CA Rep, Mult 188,191
100.02 1 1g87B MG Rep, Mult 10,11
110.02 1 1g3uA MG Rep, Mult 108,317

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
10.1712puwB0.7163.290.1160.8502.6.1.16NA
20.1312zj3A0.7583.280.0910.8932.6.1.16NA
30.0681zzgB0.6833.940.0900.8615.3.1.9NA
40.0602vf4X0.7543.230.0920.8842.6.1.16NA
50.0601tzbA0.7811.560.1270.8185.3.1.9,5.3.1.8NA
60.0603b9jJ0.2287.130.0380.4101.17.1.4,1.17.3.2172
70.0601j5xA0.6813.440.0740.8213.5.99.6NA
80.0601e1cA0.4566.060.0740.7115.4.99.2111
90.0603bicB0.4495.920.0640.6945.4.99.2116
100.0602pocB0.7383.370.1140.8842.6.1.16NA
110.0601reqA0.4566.040.0710.7085.4.99.270
120.0601rm6A0.4215.530.0810.6331.3.99.20NA
130.0603ljkA0.6674.350.0950.8735.3.1.925
140.0603bicA0.4505.960.0710.6945.4.99.2108
150.0601x9hA0.7811.550.1270.8185.3.1.9,5.3.1.8NA
160.0603hjbA0.6854.320.0950.8845.3.1.9NA
170.0601b0zA0.6734.390.1090.8815.3.1.9NA
180.0601moqA0.7583.270.1140.8872.6.1.1666
190.0601zzgA0.6833.950.0870.8615.3.1.9NA
200.0602e1qA0.3557.040.0500.6301.17.3.2,1.17.1.4NA
210.0602cvpA0.6874.220.1000.8795.3.1.9NA
220.0603euaF0.6703.670.1280.8153.5.-.-NA

(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
00.270.7383.370.110.882pocB GO:0004360 GO:0005975 GO:0006031 GO:0006038 GO:0006042 GO:0006048 GO:0006487 GO:0006541 GO:0008483 GO:0016740 GO:0030246 GO:0030448 GO:0035690 GO:1901137
10.260.7363.160.120.863fj1A GO:0005975 GO:0030246
20.250.7583.280.090.892zj3A GO:0004360 GO:0005829 GO:0005975 GO:0006002 GO:0006042 GO:0006047 GO:0006048 GO:0006112 GO:0006541 GO:0008483 GO:0009744 GO:0016597 GO:0016740 GO:0030246 GO:0032868 GO:0032869 GO:0032922 GO:0036498 GO:0045719 GO:0048511 GO:0051289 GO:0070062 GO:1901137
30.240.7163.290.120.852puwB GO:0004360 GO:0005975 GO:0006031 GO:0006038 GO:0006042 GO:0006048 GO:0006487 GO:0006541 GO:0008483 GO:0016740 GO:0030246 GO:0030448 GO:0035690 GO:1901137
40.220.7083.220.120.833hbaB GO:0004360 GO:0005975 GO:0008483 GO:0016740 GO:0030246
50.220.7811.560.130.821tzbA GO:0003824 GO:0004347 GO:0004476 GO:0005975 GO:0008152 GO:0016853 GO:0030246
60.210.7013.380.110.833knzA GO:0004360 GO:0005829 GO:0005975 GO:0006002 GO:0006047 GO:0030246
70.190.7493.200.110.883tbfC GO:0004360 GO:0005737 GO:0005975 GO:0006541 GO:0008483 GO:0016740 GO:0030246 GO:1901137
80.190.7012.960.110.812decA GO:0005975 GO:0030246
90.180.7183.260.100.853g68B GO:0005975 GO:0016853 GO:0030246
100.170.7022.940.120.812cb0B GO:0005975 GO:0008483 GO:0016740 GO:0030246
110.170.6833.560.130.833fkjA GO:0004360 GO:0005975 GO:0006002 GO:0006047 GO:0016853 GO:0030246
120.160.7303.350.120.873c3jA GO:0005975 GO:0016853 GO:0016861 GO:0030246
130.160.7053.680.120.862a3nA GO:0004360 GO:0005975 GO:0006002 GO:0006047 GO:0008483 GO:0016740 GO:0030246
140.150.7653.440.100.914amvA GO:0004360 GO:0005737 GO:0005829 GO:0005975 GO:0006002 GO:0006048 GO:0006541 GO:0008483 GO:0016740 GO:0030246 GO:1901137
150.150.6703.670.130.813euaF GO:0004360 GO:0005975 GO:0006002 GO:0006047 GO:0016787 GO:0030246
160.130.7263.580.110.883odpA GO:0005975 GO:0016853 GO:0030246
170.130.7293.520.110.883i0zA GO:0005975 GO:0016853 GO:0030246
180.120.7333.510.090.882amlA


Consensus prediction of GO terms
 
Molecular Function GO:0030246 GO:0004360 GO:0031406
GO-Score 0.76 0.68 0.50
Biological Processes GO:0006042 GO:0006541 GO:0006048 GO:0034285 GO:0051262 GO:0070874 GO:0044707 GO:0019637 GO:0010468 GO:0007623 GO:0032868 GO:0006796 GO:0051260 GO:0005979 GO:2000113 GO:0071375 GO:0030968 GO:0006038 GO:0035690 GO:0030448 GO:0006487
GO-Score 0.59 0.59 0.59 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.45 0.45 0.45 0.45
Cellular Component GO:0044444 GO:0031988 GO:1903561
GO-Score 0.50 0.50 0.50

(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.