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I-TASSER results for job id Rv2262c

[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
10.14 11 1t01A III Rep, Mult 101,161,162,165,168,169,172,175,176,206,226,228,231
20.05 4 1jylA CDC Rep, Mult 324,327
30.03 2 3dhfA BEF Rep, Mult 303,319
40.03 2 1ofdA F3S Rep, Mult 114,125,126,127,128,129,144,146
50.03 2 3s90A III Rep, Mult 101,154,155,158,161,162,165,168,199,213,224,226,227
60.01 1 5ezmA DSL Rep, Mult 1,21,22,25,37,40,41,43,44,123,127
70.01 1 1zw2A III Rep, Mult 158,159,162,165,166,169,172,202,209,220,224,226,231
80.01 1 1llzA F3S Rep, Mult 266,267,268,269,288,289
90.01 1 3g6wA POP Rep, Mult 317,319
100.01 1 4buoB GLY Rep, Mult 172,226
110.01 1 2ly0A A2Y Rep, Mult 155,158
120.01 1 1brrC ARC Rep, Mult 172,195,199
130.01 1 4c8lA MG Rep, Mult 131,134
140.01 1 1ofdB F3S Rep, Mult 27,36,37,38,41,42,43,131
150.01 1 1lm1A F3S Rep, Mult 259,268,269,289,308,316
160.01 1 2qenA MG Rep, Mult 169,260
170.01 1 1qhzA CA Rep, Mult 260,327
180.01 1 5ezmA MPG Rep, Mult 32,35,134,135
190.01 1 5ezmA MPG Rep, Mult 46,114,133
200.01 1 5ezmA MPG Rep, Mult 228,230,232

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
10.0602z8yP0.3147.410.0490.5692.3.1.16932,45,131
20.0601w6jA0.3736.700.0620.6175.4.99.7NA
30.0601q16A0.3347.220.0320.6031.7.99.4NA
40.0601qleA0.3296.580.0600.5501.9.3.1170
50.0601iv8A0.3687.230.0420.6585.4.99.15327
60.0602hpiA0.3416.500.0330.5612.7.7.7169,174
70.0601eurA0.2167.480.0440.4033.2.1.18305
80.0601dmtA0.4116.850.0560.6973.4.24.11NA
90.0602vycA0.3676.740.0830.6194.1.1.19NA
100.0603eifA0.3826.840.0510.6563.4.21.110NA
110.0602zidA0.3716.370.0520.6003.2.1.70257
120.0603gtgB0.3736.910.0420.6502.7.7.6NA
130.0601llwA0.3926.730.0470.6641.4.7.1NA
140.0601sqfA0.3796.420.0490.6062.1.1.-NA
150.0601euuA0.3826.720.0390.6313.2.1.18255,285
160.0603hkzJ0.3826.790.0600.6502.7.7.6NA
170.0601zjaA0.3656.590.0460.6005.4.99.11260
180.0602zkmX0.3717.300.0360.6723.1.4.11NA
190.0602pffA0.3857.460.0660.7142.3.1.41,2.3.1.86NA

(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
00.190.8243.030.120.935f15A GO:0016020 GO:0016021 GO:0016740
10.070.5864.890.070.803wakA GO:0004576 GO:0006486 GO:0016020 GO:0016021 GO:0016740 GO:0046872
20.070.5234.910.050.723rceA GO:0000287 GO:0004576 GO:0005886 GO:0006486 GO:0016020 GO:0016021 GO:0016740 GO:0016757 GO:0018279 GO:0046872
30.060.5834.770.060.793wajA GO:0004576 GO:0006486 GO:0016020 GO:0016021 GO:0016740 GO:0046872
40.060.3117.040.060.541lshA GO:0005319 GO:0006869 GO:0045735
50.060.3296.890.050.563waiA GO:0004576 GO:0005215 GO:0005363 GO:0006486 GO:0006810 GO:0006974 GO:0008643 GO:0015768 GO:0016020 GO:0016021 GO:0016740 GO:0030288 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0046872 GO:0055052 GO:0060326 GO:1901982 GO:1990060
60.060.3266.160.080.495azaA GO:0004576 GO:0005215 GO:0005363 GO:0006486 GO:0006810 GO:0006974 GO:0008643 GO:0015768 GO:0016020 GO:0016021 GO:0016740 GO:0030288 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0055052 GO:0060326 GO:1901982 GO:1990060
70.060.2797.140.040.493wovA GO:0004576 GO:0006486 GO:0016020 GO:0016021 GO:0016740 GO:0046872
80.060.2837.190.020.504gklA GO:0003824 GO:0005975
90.060.2647.010.040.453vu1B GO:0004576 GO:0006486 GO:0016020 GO:0016021 GO:0046872
100.060.2506.900.030.422amxA GO:0009168 GO:0019239
110.060.2346.640.060.394v2pB GO:0003824 GO:0004315 GO:0006633 GO:0008152 GO:0016740
120.060.2005.830.040.303aagA GO:0004576 GO:0005886 GO:0006486 GO:0006487 GO:0016020 GO:0016021 GO:0016740 GO:0016757 GO:0046872
130.060.2174.110.040.283vu0B GO:0004576 GO:0006486 GO:0016020 GO:0016021
140.060.2236.400.040.364dguA GO:0046872
150.060.2134.620.060.283vgpA GO:0004576 GO:0006486 GO:0016020 GO:0016021 GO:0016740
160.060.2206.520.040.362lgzA GO:0004576 GO:0004579 GO:0005783 GO:0005789 GO:0006486 GO:0006487 GO:0008250 GO:0016020 GO:0016021 GO:0016740 GO:0016757 GO:0018279 GO:0043687
170.060.2276.320.060.363e20B GO:0002184 GO:0005634 GO:0005737 GO:0005829 GO:0006412 GO:0006415 GO:0016149 GO:0018444
180.060.2006.390.030.322anuA GO:0003677 GO:0003824 GO:0003887 GO:0006260 GO:0046872 GO:0071897


Consensus prediction of GO terms
 
Molecular Function GO:0016758 GO:0043169
GO-Score 0.37 0.37
Biological Processes GO:0044763 GO:0043413 GO:0006464 GO:0009101
GO-Score 0.37 0.37 0.37 0.37
Cellular Component GO:0016021
GO-Score 0.34

(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.