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I-TASSER results for job id Rv0449c

[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
10.63 156 4gdpC FAD Rep, Mult 12,13,15,16,17,34,35,36,37,41,42,43,44,66,67,68,69,71,243,245,273,274,275,371,374,401,402,407,408,409,412
20.00 1 3i6dA PO4 Rep, Mult 271,398,399,422,423
30.00 1 3i6dB ACJ Rep, Mult 75,184,375,407
40.00 1 5g3tA MG Rep, Mult 13,15,17,18,273
50.00 1 3ngcX GP7 Rep, Mult 110,117,131,176,177,197,209,210,213
60.00 1 3nrnA AMP Rep, Mult 13,15,34,35,36,42,43,243,245,273,274

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
10.2121ng4B0.5204.370.1200.6331.4.3.1913,15,35,38,42,66,376
20.2083cn8B0.6993.920.1600.8341.5.3.1713,36,42,274,413
30.1653i6dB0.7952.570.1540.8541.3.3.4248
40.1271reoA0.7563.540.1660.8701.4.3.2NA
50.1081o5wC0.7463.580.1590.8681.4.3.4NA
60.1073he3A0.6364.180.1190.7745.4.99.9NA
70.1052z5xA0.7493.560.1480.8681.4.3.413
80.1012bi8A0.6324.300.0850.7865.4.99.912
90.0833bi2B0.6983.930.1600.8341.5.3.11NA
100.0702jaeA0.6644.190.1490.7931.4.3.2NA
110.0661ng3A0.5194.300.1200.6311.4.3.19,1.5.3.-NA
120.0661aa8B0.4844.790.1050.6111.4.3.313,15
130.0661zovA0.5154.660.1290.6451.5.3.1407
140.0662du8A0.4844.830.1120.6151.4.3.3NA
150.0662uzzB0.4984.740.1250.6331.5.3.-NA
160.0602jb2A0.6644.210.1460.7951.4.3.213,36,39,42
170.0601rsgA0.6884.110.1540.8291.5.3.11NA
180.0601qlaD0.5095.040.1020.6561.3.99.113,15,17,66,231
190.0601oj9A0.7493.620.1550.8701.4.3.4NA
200.0601v0jA0.6364.480.1450.7955.4.99.9NA
210.0601x31B0.5134.760.1070.6491.5.3.1259
220.0601i8tA0.6264.280.1050.7745.4.99.944
230.0601y56B0.5164.250.1030.6311.5.99.8405
240.0602gmjA0.5504.210.1400.6671.5.5.1NA
250.0602iveA0.8152.640.1880.8951.3.3.4NA
260.0602bi7A0.6314.230.0850.7815.4.99.9NA
270.0603lovA0.8552.090.1400.9111.3.3.413,36,40
280.0601b37B0.7023.980.1310.8411.5.3.15,1.5.3.14NA
290.0601d7lA0.5134.480.1220.6471.14.13.2NA
300.0602iw5A0.6984.320.1420.8591.-.-.-NA
310.0601vrqB0.5134.780.1230.6511.5.3.1NA
320.0602dkiA0.5524.140.1180.6761.14.13.23NA
330.0601e7pA0.5165.100.0920.6671.3.99.1387
340.0602vvmA0.7053.680.1250.8291.4.3.4NA

(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
00.360.8682.100.140.923lovA GO:0000166 GO:0004729 GO:0006779 GO:0016491 GO:0055114
10.340.8152.640.190.902iveA GO:0004729 GO:0005737 GO:0006779 GO:0006782 GO:0006783 GO:0016020 GO:0016491 GO:0055114
20.340.8132.790.180.903nksA GO:0004729 GO:0005739 GO:0005743 GO:0005758 GO:0006779 GO:0006782 GO:0006783 GO:0016020 GO:0016491 GO:0031304 GO:0031305 GO:0031966 GO:0042493 GO:0046501 GO:0050660 GO:0055114
30.320.7952.570.150.853i6dB GO:0004729 GO:0005737 GO:0006779 GO:0006782 GO:0016491 GO:0055114
40.310.8042.800.170.891sezA GO:0004729 GO:0005739 GO:0006779 GO:0006782 GO:0006783 GO:0016491 GO:0055114
50.290.7493.610.150.874a79A GO:0005739 GO:0005740 GO:0005741 GO:0005743 GO:0008131 GO:0009055 GO:0009636 GO:0010044 GO:0010269 GO:0014063 GO:0016020 GO:0016021 GO:0016491 GO:0021762 GO:0032496 GO:0042420 GO:0042493 GO:0042803 GO:0045471 GO:0045964 GO:0048545 GO:0050660 GO:0050665 GO:0051412 GO:0055114 GO:0070062
60.270.7163.900.150.853rhaA GO:0016491 GO:0050232 GO:0055114
70.270.7573.540.160.873kveA GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0044179 GO:0046872 GO:0055114
80.270.7563.540.170.871reoA GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0044179 GO:0055114
90.260.7113.840.160.842yg3B GO:0000166 GO:0016491 GO:0055114
100.250.7493.530.130.864e0vB GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0044179 GO:0055114
110.250.7584.000.120.904iv9A GO:0004497 GO:0009851 GO:0016491 GO:0050361 GO:0055114
120.250.7543.560.150.871f8rA GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0055114
130.230.7004.280.150.862x0lA GO:0000122 GO:0000784 GO:0000790 GO:0001085 GO:0001701 GO:0002039 GO:0003677 GO:0003682 GO:0003700 GO:0004407 GO:0005634 GO:0005654 GO:0005667 GO:0006351 GO:0006355 GO:0006357 GO:0006482 GO:0007275 GO:0007596 GO:0008134 GO:0008283 GO:0010569 GO:0010725 GO:0016491 GO:0016568 GO:0016575 GO:0019899 GO:0021983 GO:0030374 GO:0030851 GO:0032091 GO:0032451 GO:0032452 GO:0032453 GO:0032454 GO:0033169 GO:0033184 GO:0034644 GO:0034648 GO:0034720 GO:0042162 GO:0043234 GO:0043392 GO:0043426 GO:0043433 GO:0043518 GO:0044212 GO:0045648 GO:0045654 GO:0045892 GO:0045944 GO:0046886 GO:0050660 GO:0050681 GO:0051091 GO:0051572 GO:0051573 GO:0055001 GO:0055114 GO:0061752 GO:0071480 GO:1902166 GO:1903827 GO:1990391 GO:2000179 GO:2000648
140.230.6914.390.150.852dw4A GO:0000122 GO:0000784 GO:0000790 GO:0001085 GO:0001701 GO:0002039 GO:0003677 GO:0003682 GO:0003700 GO:0004407 GO:0005634 GO:0005654 GO:0005667 GO:0006351 GO:0006355 GO:0006357 GO:0006482 GO:0007275 GO:0007596 GO:0008134 GO:0008283 GO:0010569 GO:0010725 GO:0016491 GO:0016568 GO:0016575 GO:0019899 GO:0021983 GO:0030374 GO:0030851 GO:0032091 GO:0032451 GO:0032452 GO:0032453 GO:0032454 GO:0033169 GO:0033184 GO:0034644 GO:0034648 GO:0034720 GO:0042162 GO:0043234 GO:0043392 GO:0043426 GO:0043433 GO:0043518 GO:0044212 GO:0045648 GO:0045654 GO:0045892 GO:0045944 GO:0046886 GO:0050660 GO:0050681 GO:0051091 GO:0051572 GO:0051573 GO:0055001 GO:0055114 GO:0061752 GO:0071480 GO:1902166 GO:1903827 GO:1990391 GO:2000179 GO:2000648
150.230.7253.970.120.874uirA GO:0005504 GO:0006629 GO:0006631 GO:0009636 GO:0016491 GO:0016829 GO:0050151 GO:0055114 GO:0070542 GO:0071949
160.230.7064.010.130.853kpfA GO:0016491 GO:0052893 GO:0052896 GO:0052897 GO:0052898 GO:0052900 GO:0055114
170.220.6903.970.140.822b9wA GO:0000166 GO:0016491 GO:0055114
180.160.5763.230.140.673qj4A GO:0002931 GO:0005576 GO:0005615 GO:0016491 GO:0055114 GO:0071869 GO:0071871 GO:1902074
190.140.7463.580.160.871o5wC GO:0005739 GO:0005741 GO:0006584 GO:0008131 GO:0016020 GO:0016021 GO:0016491 GO:0042135 GO:0042424 GO:0042428 GO:0042443 GO:0050660 GO:0051378 GO:0055114
200.110.7053.680.120.832vvmA GO:0005777 GO:0016491 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0004729 GO:0050660
GO-Score 0.87 0.34
Biological Processes GO:0055114 GO:0006782 GO:0042493
GO-Score 0.87 0.80 0.34
Cellular Component GO:0031305 GO:0005758
GO-Score 0.34 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.