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I-TASSER results for job id Rv2402

[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
10.51 6 1ulvA ACR Rep, Mult 277,295,299,301,302,342,427,428,429,430,546,608,610
20.07 1 3c67A GLC Rep, Mult 78,80,121

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
10.4471lf6A0.8322.710.1450.8893.2.1.3429,593
20.0661ayxA0.5073.010.1350.5513.2.1.3429,593
30.0662f6dA0.5053.140.1350.5513.2.1.349,148,193
40.0661gaiA0.4832.910.1490.5253.2.1.3429,593
50.0602jg0A0.4554.300.1080.5363.2.1.28294
60.0601fo2A0.4315.380.0690.5503.2.1.113NA
70.0601is9A0.3994.290.0830.4773.2.1.4NA
80.0601tnzL0.3824.810.0940.4702.5.1.59320
90.0601fp3A0.4214.200.0730.4985.1.3.8NA
100.0601h54B0.6704.640.0750.8132.4.1.8NA
110.0602cqsA0.7064.530.1180.8462.4.1.20206
120.0601fmiA0.4305.370.0670.5503.2.1.113NA
130.0601g87B0.3954.970.0780.4893.2.1.4NA
140.0601hcuB0.4325.470.0540.5563.2.1.113151
150.0601rw9A0.3605.460.0570.4634.2.2.5NA
160.0601z1wA0.3517.980.0420.5673.4.11.-38
170.0601clcA0.3706.250.0570.5113.2.1.4NA
180.0601ks8A0.3904.490.0800.4703.2.1.4NA
190.0601ia7A0.3944.520.0680.4753.2.1.4NA
200.0601dceB0.3714.480.0890.4462.5.1.60,2.5.1.-NA
210.0602drsA0.3984.430.0670.4803.2.1.156303
220.0602sqcA0.3994.800.0820.4865.4.99.17NA
230.0602vn4A0.4842.920.1400.5263.2.1.3429,593

(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
00.340.8162.790.160.881ug9A GO:0003824 GO:0004339 GO:0004553 GO:0005975 GO:0005976 GO:0016052 GO:0030246 GO:0046872
10.170.8322.710.140.891lf6A GO:0003824 GO:0004339 GO:0005975 GO:0005976 GO:0008152 GO:0016787 GO:0016798 GO:0030246
20.110.7074.540.110.853rrsA GO:0003824 GO:0005975 GO:0016740 GO:0016757 GO:0030246 GO:0047738
30.100.6994.490.080.843qdeA GO:0003824 GO:0005975 GO:0016740 GO:0016757 GO:0030246 GO:0047738
40.100.7074.470.120.843acsA GO:0003824 GO:0005975 GO:0030246
50.100.6834.520.080.824zlfA GO:0003824 GO:0005975 GO:0030246
60.100.6885.120.080.861v7vA GO:0003824 GO:0005975 GO:0016740 GO:0030246 GO:0046872
70.070.5073.010.140.551ayxA GO:0000272 GO:0003824 GO:0004339 GO:0005975 GO:0005976 GO:0008152 GO:0016787 GO:0016798
80.060.3985.400.040.512a73B GO:0001798 GO:0001934 GO:0001970 GO:0002376 GO:0002507 GO:0004252 GO:0004866 GO:0005102 GO:0005576 GO:0005615 GO:0005886 GO:0006508 GO:0006629 GO:0006631 GO:0006954 GO:0006955 GO:0006956 GO:0006957 GO:0006958 GO:0007165 GO:0007186 GO:0007596 GO:0008289 GO:0010575 GO:0010828 GO:0010866 GO:0010884 GO:0010951 GO:0030449 GO:0031715 GO:0032026 GO:0032355 GO:0032570 GO:0043627 GO:0045087 GO:0045745 GO:0045766 GO:0048037 GO:0048639 GO:0050766 GO:0050776 GO:0051384 GO:0070062 GO:0070374 GO:0072562 GO:2000427
90.060.3164.470.080.381qqfA GO:0001934 GO:0002376 GO:0002507 GO:0004866 GO:0005576 GO:0005615 GO:0006629 GO:0006631 GO:0006935 GO:0006954 GO:0006956 GO:0006957 GO:0006958 GO:0007596 GO:0008289 GO:0010828 GO:0010866 GO:0010884 GO:0010951 GO:0031715 GO:0032026 GO:0032355 GO:0032570 GO:0043627 GO:0045087 GO:0045745 GO:0048037 GO:0048639 GO:0051384 GO:0070374
100.060.2377.680.040.374za4A GO:0005737 GO:0010181 GO:0016491 GO:0016829 GO:0016831 GO:0033494 GO:0046281 GO:0046872 GO:0055114
110.060.2207.620.040.352guwB GO:0003824 GO:0008152 GO:0008714 GO:0009116 GO:0016787 GO:0016798 GO:0044209 GO:0046033
120.060.2307.780.080.374impA GO:0000166 GO:0003824 GO:0008152 GO:0016740 GO:0031177 GO:0048037
130.060.1816.580.040.264mboA GO:0005576 GO:0005618 GO:0007155 GO:0009986 GO:0030260 GO:1990254
140.060.1966.760.030.282xwxA GO:0004568 GO:0005576 GO:0006032 GO:0008061
150.060.1966.900.080.292rdxA GO:0003824 GO:0008152 GO:0046872
160.060.1836.700.050.264wsnF GO:0000715 GO:0005634 GO:0005654 GO:0005737 GO:0006283 GO:0008180 GO:0010388 GO:0016032 GO:0070062
170.060.1986.700.060.292j0rA GO:0006810 GO:0006811 GO:0006826 GO:0055072
180.060.1786.340.070.252ffiA GO:0016787 GO:0047554


Consensus prediction of GO terms
 
Molecular Function GO:0030246 GO:0004339 GO:0004645 GO:0046872
GO-Score 0.60 0.45 0.40 0.34
Biological Processes GO:0005976 GO:0016052
GO-Score 0.45 0.34
Cellular Component
GO-Score

(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.