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I-TASSER results for job id Rv3529c

[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
10.28 16 4goxA A3P Rep, Mult 100,101,103,104,105,106,256,264,267,317,321,351,356,357,358
20.05 3 3ap2A A3P Rep, Mult 101,102,103,104,105,106,256,264,268,317,321,357,358,360,361,362,363,366,369
30.04 2 3ap1B III Rep, Mult 100,170,172,175,176,178,179,182,233,234,237,238,270,271,272,273
40.02 1 1cjmA SO4 Rep, Mult 101,102,103,104,105,232
50.02 1 1j99A HGI Rep, Mult 332,333,336,337,338,339
60.02 1 3ap2A III Rep, Mult 110,111,114,117,227
70.02 1 3ug6A MG Rep, Mult 105,114
80.02 1 1vkjA SO4 Rep, Mult 105,231
90.02 1 1r3nF BIB Rep, Mult 256,371
100.02 1 2ovbA SO4 Rep, Mult 256,264,267

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
10.0602e9bA0.3996.100.0480.6153.2.1.4196
20.0601l1lA0.3966.840.0470.6641.17.4.2NA
30.0601bifA0.4034.420.0660.5293.1.3.46,2.7.1.105101,104,261,263
40.0602veoB0.4126.350.0530.6413.1.1.3320
50.0601q20A0.4594.860.1120.6042.8.2.2NA
60.0603cklB0.4574.820.0960.5992.8.2.-NA
70.0602e8yA0.4045.950.0480.6123.2.1.41NA
80.0601j99A0.4514.680.1030.5862.8.2.14,2.8.2.2NA
90.0602fahA0.4206.870.0410.7064.1.1.32NA
100.0602wanA0.4065.940.0350.6153.2.1.41NA
110.0601t8uB0.4483.870.1190.5422.8.2.30103,233,260,321
120.0601yq2A0.4116.560.0600.6643.2.1.23NA
130.0601cjmA0.4104.170.1020.5052.8.2.1NA
140.0602ad1A0.4194.610.1050.5442.8.2.-235
150.0601k6mA0.4024.530.0520.5292.7.1.105,3.1.3.4699,103,105,358
160.0601w78A0.3965.910.0830.5686.3.2.17,6.3.2.12NA
170.0602wtzB0.4205.190.0830.5766.3.2.1397
180.0601ytmA0.4136.720.0750.6744.1.1.49NA
190.0603crrA0.4003.640.0880.4772.5.1.8243,250

(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
00.670.9311.200.990.952zq5A
10.430.8902.490.260.982z6vA
20.210.4723.830.160.574goxA GO:0003824 GO:0008152 GO:0016740 GO:0031177
30.200.4174.400.120.533mgcA GO:0008146
40.170.4514.680.100.591j99A GO:0004062 GO:0004304 GO:0005737 GO:0005829 GO:0006629 GO:0007586 GO:0008146 GO:0008202 GO:0016042 GO:0016740 GO:0030573 GO:0047704 GO:0050294 GO:0050427 GO:0051923
50.140.4544.630.100.591efhB GO:0004062 GO:0004304 GO:0005737 GO:0005829 GO:0006629 GO:0007586 GO:0008146 GO:0008202 GO:0016042 GO:0016740 GO:0030573 GO:0047704 GO:0050294 GO:0050427 GO:0051923
60.100.4134.250.130.523nibA GO:0008146
70.100.4594.860.110.601q20A GO:0000103 GO:0004027 GO:0005634 GO:0005737 GO:0005783 GO:0005829 GO:0006629 GO:0008146 GO:0008202 GO:0016740 GO:0043231 GO:0050294 GO:0050427 GO:0070062
80.070.4745.570.110.671x8kA GO:0008146 GO:0046872
90.070.4793.650.120.574gbmA GO:0003824 GO:0008152 GO:0016740 GO:0031177 GO:0046872
100.070.4814.050.180.583ap2A GO:0000139 GO:0005783 GO:0005794 GO:0006478 GO:0008476 GO:0016020 GO:0016021 GO:0016740 GO:0070062
110.070.4715.340.120.662q3mA GO:0005737 GO:0005794 GO:0006952 GO:0008146 GO:0009651 GO:0009751 GO:0016131 GO:0016740 GO:0080118 GO:1990135
120.070.4574.820.100.603cklB GO:0004062 GO:0005737 GO:0005829 GO:0006576 GO:0006629 GO:0006805 GO:0008146 GO:0008202 GO:0009812 GO:0016740 GO:0018958 GO:0030855 GO:0042403 GO:0050427 GO:0051923
130.070.4454.500.100.571aqyA GO:0004304 GO:0005496 GO:0005737 GO:0007565 GO:0008146 GO:0008210 GO:0008289 GO:0016740 GO:0045600 GO:0047894 GO:0050294 GO:0051923
140.070.4544.690.080.602zytX GO:0000103 GO:0004062 GO:0005737 GO:0006584 GO:0006629 GO:0008146 GO:0016740 GO:0051923
150.060.4523.940.120.553rnlA GO:0016740 GO:0046872
160.060.4504.870.100.604jvlA GO:0004062 GO:0004304 GO:0005496 GO:0005737 GO:0005829 GO:0008146 GO:0008202 GO:0008210 GO:0008289 GO:0016740 GO:0045600 GO:0047894 GO:0050294 GO:0050427 GO:0051923
170.060.4274.410.130.543mgbA GO:0008146
180.060.4374.580.090.573bfxA GO:0004062 GO:0005737 GO:0005829 GO:0008146 GO:0009308 GO:0016740 GO:0050427 GO:0051923 GO:0070062


Consensus prediction of GO terms
 
Molecular Function GO:0019842 GO:0072341 GO:0033218 GO:0008146
GO-Score 0.43 0.43 0.43 0.34
Biological Processes GO:0006790 GO:0008206 GO:0006706 GO:0034035 GO:0044707 GO:0046128 GO:0009150 GO:0072329
GO-Score 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
Cellular Component GO:0044444
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.