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I-TASSER results for job id Rv2413c

[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 2 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
10.19 5 3glfA NUC Rep, Mult 190,223,224,227,231,259,290
20.12 3 3gliF NUC Rep, Mult 190,221,223,224,227,231,290
30.08 3 4dlsA CA Rep, Mult 238,239
40.06 2 4xk8L CLA Rep, Mult 281,310
50.03 1 1jql1 III Rep, Mult 34,35,47,48,51,52,53,54,55,56
60.03 1 3gliI III Rep, Mult 272,273,276,277,280,314
70.03 1 2vs0B ZN Rep, Mult 227,286
80.03 1 3gliC III Rep, Mult 241,242,244,273,276,280,281,284
90.03 1 5c65A 37X Rep, Mult 225,281

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
10.0601bxrA0.4156.680.0500.7226.3.5.5131
20.0602bf4A0.4166.440.0540.7061.6.2.4NA
30.0602qr5A0.3857.060.0530.7093.4.19.1NA
40.0602vr5A0.4526.140.0350.7153.2.1.-NA
50.0601u22A0.4336.300.0430.7182.1.1.14NA
60.0601uaaA0.4095.960.0900.6523.6.4.12NA
70.0601rtkA0.3206.990.0450.5733.4.21.47NA
80.0601ixsB0.4455.590.0890.6773.6.4.12NA
90.0601xxiA0.6514.570.1080.8992.7.7.711,168
100.0601t7lA0.4316.340.0440.7092.1.1.14126
110.0603fvyA0.4196.360.0820.6993.4.14.4NA
120.0601in5A0.4545.420.1050.6773.6.4.12NA
130.0602pdaA0.4256.230.0800.6991.2.7.1NA
140.0602wanA0.4306.500.0520.7313.2.1.41NA
150.0601a5tA0.4454.430.0810.5732.7.7.7134,167
160.0601m7xB0.4116.160.0230.6712.4.1.18NA
170.0602e8yA0.4306.490.0740.7183.2.1.41159
180.0603bq5A0.4166.520.0320.6992.1.1.14126
190.0603glfG0.6075.070.1100.8642.7.7.7NA

(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
00.400.9510.990.170.973zh9B GO:0003677 GO:0003887 GO:0006260 GO:0009360 GO:0071897
10.270.7103.880.130.911jr3D GO:0003677 GO:0003887 GO:0006260 GO:0006261 GO:0009360 GO:0016740 GO:0016779 GO:0071897
20.170.6075.070.110.863glfG GO:0000166 GO:0003677 GO:0003689 GO:0003887 GO:0005524 GO:0005663 GO:0006260 GO:0006261 GO:0009360 GO:0016740 GO:0016779 GO:0016887 GO:0017111 GO:0030337 GO:0042802 GO:0043846 GO:0071897
30.070.5395.210.100.801iqpA GO:0000166 GO:0003677 GO:0004519 GO:0005524 GO:0006260 GO:0006281 GO:0006310 GO:0009378 GO:0016539 GO:0032508 GO:0090305
40.070.4885.040.110.722chqA GO:0000166 GO:0003677 GO:0003689 GO:0005524 GO:0005663 GO:0006260
50.070.4925.680.090.763u5zB GO:0000166 GO:0003677 GO:0005524 GO:0006260 GO:0039686
60.070.4725.850.070.741sxjB GO:0000166 GO:0003677 GO:0003689 GO:0005524 GO:0005634 GO:0005663 GO:0005829 GO:0006260 GO:0006272 GO:0006298 GO:0007049 GO:0007062 GO:0031389 GO:0031390 GO:0031391
70.070.4685.910.080.751sxjC GO:0000166 GO:0003677 GO:0003689 GO:0005524 GO:0005634 GO:0005663 GO:0005829 GO:0006260 GO:0006272 GO:0006298 GO:0007049 GO:0007062 GO:0016887 GO:0031389 GO:0031390 GO:0031391
80.070.4574.570.090.623pfiA GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0006281 GO:0006310 GO:0006974 GO:0009378 GO:0009432 GO:0016787 GO:0032508
90.070.4455.590.090.681ixsB GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0006281 GO:0006310 GO:0006974 GO:0009378 GO:0009432 GO:0016787 GO:0032508
100.070.4545.420.100.681in5A GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0006281 GO:0006310 GO:0006974 GO:0009378 GO:0009432 GO:0016787 GO:0032508
110.070.4605.430.090.692gnoA GO:0003677 GO:0003689 GO:0005663 GO:0006260 GO:0006261
120.070.4386.520.110.741sxjD GO:0000076 GO:0000166 GO:0003677 GO:0003689 GO:0005524 GO:0005634 GO:0005663 GO:0006260 GO:0006272 GO:0006298 GO:0007049 GO:0007062 GO:0017076 GO:0031389 GO:0031390 GO:0031391
130.070.4316.040.060.701ksfX GO:0000166 GO:0004176 GO:0005524 GO:0005829 GO:0006508 GO:0006979 GO:0016887 GO:0019538 GO:0043335
140.060.4286.060.100.684d2qA GO:0000166 GO:0005524 GO:0005737 GO:0005829 GO:0006986 GO:0009408 GO:0016020 GO:0016485 GO:0019538 GO:0042623 GO:0042802
150.060.4295.420.070.641sxjE GO:0000166 GO:0003677 GO:0003689 GO:0005524 GO:0005634 GO:0005663 GO:0006260 GO:0006272 GO:0007049 GO:0007062 GO:0031389 GO:0031390 GO:0031391
160.060.4374.300.070.563glfE GO:0003677 GO:0003689 GO:0003887 GO:0005663 GO:0006260 GO:0006261 GO:0008408 GO:0009360 GO:0016740 GO:0016779 GO:0071897 GO:0090305
170.060.3505.850.080.533uk6F GO:0000166 GO:0000812 GO:0000979 GO:0000980 GO:0001094 GO:0003678 GO:0004003 GO:0004386 GO:0005524 GO:0005622 GO:0005634 GO:0005654 GO:0005719 GO:0005737 GO:0006281 GO:0006310 GO:0006338 GO:0006351 GO:0006355 GO:0006457 GO:0006974 GO:0016020 GO:0016363 GO:0016568 GO:0016787 GO:0016887 GO:0030529 GO:0031011 GO:0031490 GO:0032508 GO:0034644 GO:0035066 GO:0035267 GO:0040008 GO:0042802 GO:0042803 GO:0043141 GO:0043531 GO:0043967 GO:0043968 GO:0045944 GO:0051082 GO:0051117 GO:0070062 GO:0071169 GO:0071339 GO:0071392 GO:0071733 GO:0071899 GO:0097255 GO:1904874
180.060.3465.800.060.533uk6G GO:0000166 GO:0000812 GO:0000979 GO:0000980 GO:0001094 GO:0003678 GO:0004003 GO:0004386 GO:0005524 GO:0005622 GO:0005634 GO:0005654 GO:0005719 GO:0005737 GO:0006281 GO:0006310 GO:0006338 GO:0006351 GO:0006355 GO:0006457 GO:0006974 GO:0016020 GO:0016363 GO:0016568 GO:0016787 GO:0016887 GO:0030529 GO:0031011 GO:0031490 GO:0032508 GO:0034644 GO:0035066 GO:0035267 GO:0040008 GO:0042802 GO:0042803 GO:0043141 GO:0043531 GO:0043967 GO:0043968 GO:0045944 GO:0051082 GO:0051117 GO:0070062 GO:0071169 GO:0071339 GO:0071392 GO:0071733 GO:0071899 GO:0097255 GO:1904874


Consensus prediction of GO terms
 
Molecular Function GO:0003677 GO:0003887 GO:0032559 GO:0035639 GO:0032550 GO:0033170 GO:0005515 GO:0030234
GO-Score 0.68 0.64 0.55 0.55 0.55 0.45 0.34 0.34
Biological Processes GO:0071897 GO:0006261
GO-Score 0.64 0.40
Cellular Component GO:0009360 GO:0005657
GO-Score 0.64 0.45

(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.