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I-TASSER results for job id Rv2067c

[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 3 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
10.37 32 4qnuH GEK Rep, Mult 29,62,63,65,85,86,87,90,112,113,114,129,130,131,133,135,292
20.06 5 1d2hA SAH Rep, Mult 85,86,87,90,111,112,113,131,134
30.02 2 1jdbE GLN Rep, Mult 63,128,129,132,140,141,144
40.01 1 3ofkA SAH Rep, Mult 11,30,32,42,43,63,65,85,86,87,112,113,129,130,131,134
50.01 1 2o06A MG Rep, Mult 41,124,152,153

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
10.0601im8A0.4153.770.1260.4942.1.1.-87,140
20.0602iipA0.3923.720.1070.4692.1.1.163,65,91
30.0602vz8B0.4126.220.0620.6262.3.1.85NA
40.0601bxrA0.4176.720.0650.6836.3.5.5NA
50.0601xj5A0.4064.580.0710.5162.5.1.16NA
60.0601mjfA0.3984.490.0580.5012.5.1.1663
70.0601uirB0.4064.480.0890.5112.5.1.1685
80.0602jfdA0.2747.250.0460.4642.3.1.8531
90.0602e5wA0.4034.570.0660.5112.5.1.1663,86
100.0601tw2B0.4074.100.1300.4912.1.1.-NA
110.0602vdwG0.4313.520.0980.4992.7.7.5034
120.0601kyzE0.3944.290.1250.4842.1.1.6866
130.0602j5nB0.3936.100.0830.5971.5.1.1283
140.0603eppB0.4373.780.1070.5112.1.1.5664,86,131
150.0601ej6A0.4135.520.0520.5582.7.7.5063,65,86,89,111
160.0602opbB0.3893.740.0740.4672.1.1.2821,63,65,85,116
170.0602vz9B0.5195.450.1250.7082.3.1.85NA
180.0602ytzA0.4155.750.0730.5872.1.1.3223,85
190.0602i62C0.3903.840.1000.4722.1.1.120,63,65,91

(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
00.140.4083.400.130.473l8dA GO:0008152 GO:0008168 GO:0016740 GO:0032259
10.130.3902.840.100.433h2bB GO:0008168 GO:0016740 GO:0032259
20.090.3982.920.150.452gluA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0016740 GO:0032259
30.090.4093.460.130.483g5lA
40.080.3983.800.130.473kkzA GO:0046872 GO:0051536 GO:0051539
50.070.4003.860.100.471ve3B GO:0046872 GO:0051536 GO:0051539
60.070.4674.930.080.594krgA GO:0008152 GO:0008168 GO:0032259
70.070.4524.330.050.562zwaB GO:0005737 GO:0005739 GO:0005829 GO:0006400 GO:0008033 GO:0008168 GO:0008175 GO:0008757 GO:0016740 GO:0030488 GO:0031591 GO:0032259
80.060.4283.400.140.493d2lC GO:0008168 GO:0016740 GO:0032259
90.060.4213.830.120.504ineA GO:0000773 GO:0005737 GO:0006656 GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0080101
100.060.4003.320.140.464qdkA GO:0005737 GO:0008168 GO:0008757 GO:0015979 GO:0015995 GO:0016740 GO:0032259 GO:0036068 GO:0046406
110.060.4143.560.120.484mwzB GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
120.060.4083.290.120.473bkwA GO:0008152 GO:0008168 GO:0032259
130.060.3306.320.090.513o7wA GO:0003880 GO:0005829 GO:0006464 GO:0006479 GO:0006481 GO:0008168 GO:0008276 GO:0008757 GO:0010906 GO:0016740 GO:0018423 GO:0031333 GO:0032259 GO:0042981 GO:0090266
140.060.3973.680.110.475cvdA GO:0005634 GO:0005654 GO:0005737 GO:0006480 GO:0007051 GO:0007059 GO:0008168 GO:0008276 GO:0016740 GO:0018011 GO:0018012 GO:0018016 GO:0032259 GO:0035572 GO:0035573 GO:0071885
150.060.3893.650.110.461xtpA GO:0005737 GO:0006480 GO:0008168
160.060.3813.160.120.433ccfB GO:0008152 GO:0008168 GO:0016740 GO:0030798 GO:0032259
170.060.3793.500.110.443egeA GO:0008152 GO:0008168 GO:0032259
180.060.4304.400.070.531rjdC GO:0005829 GO:0006481 GO:0008168 GO:0010506 GO:0016740 GO:0018423 GO:0032259 GO:0043623


Consensus prediction of GO terms
 
Molecular Function GO:0008168
GO-Score 0.32
Biological Processes GO:0032259
GO-Score 0.32
Cellular Component GO:0005737
GO-Score 0.09

(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.