[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv2553c

[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
10.21 10 3wtgA OXY Rep, Mult 400,404
20.04 2 2f4aA TOU Rep, Mult 311,312
30.04 2 1jdbE GLN Rep, Mult 392,393,394,402,403
40.02 1 1g4pA MG Rep, Mult 301,322
50.02 1 2v3eB UUU Rep, Mult 348,349,350
60.02 1 2frdB NAP Rep, Mult 291,294
70.02 1 1yklG DHB Rep, Mult 237,241
80.02 1 1a9x2 III Rep, Mult 298,303,304,307,373
90.02 1 1f8yB 5MD Rep, Mult 348,381
100.02 1 1c3oA GLN Rep, Mult 324,344,345,356,358
110.02 1 2nrzB MN Rep, Mult 322,400
120.02 1 4ag5A MG Rep, Mult 138,160

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
10.0602qr5A0.3777.310.0500.6433.4.19.1NA
20.0601is2A0.3696.830.0360.6021.3.3.6293
30.0602eabA0.3717.390.0420.6383.2.1.63NA
40.0603gm8A0.3707.150.0280.6243.2.1.-NA
50.0601t7lA0.3707.190.0410.6162.1.1.14379
60.0602epoB0.3537.570.0520.6193.2.1.52NA
70.0601ps9A0.3707.460.0440.6521.3.1.34310
80.0601djnA0.3767.600.0300.6671.5.8.2,1.5.99.7NA
90.0601bxrA0.4047.150.0640.6816.3.5.5NA
100.0603fvyA0.3986.990.0510.6573.4.14.4309,333,357,369
110.0601yiqA0.3697.530.0600.6431.1.99.-NA
120.0601yr2A0.3957.320.0640.6863.4.21.26301
130.0603g0bB0.3896.960.0250.6433.4.14.5319,365
140.0602nq5A0.3747.370.0900.6452.1.1.14NA
150.0601kc7A0.3787.230.0380.6352.7.9.1301
160.0601kb0A0.3677.740.0540.6621.1.99.-NA
170.0602epoA0.3697.310.0390.6263.2.1.52NA
180.0601yrzA0.3717.470.0580.6593.2.1.37283,312
190.0603bq5A0.3737.130.0440.6142.1.1.14NA

(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
00.340.5702.730.200.624iiwB GO:0003676 GO:0016020 GO:0016021
10.240.5013.320.230.572r1fA GO:0003676
20.070.4577.110.060.772ebsB GO:0000272 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030245 GO:0033945
30.070.4367.090.060.734lgnA GO:0004553 GO:0005975 GO:0030246 GO:0030247 GO:0030248
40.070.4207.140.070.712cn2A GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030245 GO:0033946 GO:0043263 GO:2000899
50.070.4347.180.060.735fkqA GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246 GO:0030247 GO:0030248
60.060.4317.180.070.735jwzA GO:0004553 GO:0005975 GO:0030246 GO:0030247
70.060.4316.980.050.712cn3A GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030245 GO:0033946 GO:0043263 GO:2000899
80.060.2957.290.040.503b69A GO:0004308 GO:0009405 GO:0016020 GO:0016021
90.060.2708.020.040.504q6kA GO:0004308 GO:0009405
100.060.2977.430.040.524dg8A GO:0000166 GO:0003824 GO:0008152
110.060.2876.650.040.463b7fA GO:0016787
120.060.2777.030.040.461r6tA GO:0000166 GO:0001525 GO:0004812 GO:0004830 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006412 GO:0006418 GO:0006436 GO:0008285 GO:0016874 GO:0045765 GO:0070062
130.060.2646.540.040.413jvuA GO:0000166 GO:0005524 GO:0005737 GO:0006810 GO:0043107 GO:0043108 GO:0044096
140.060.2686.350.030.413pymA GO:0003723 GO:0004365 GO:0005737 GO:0005739 GO:0005811 GO:0006006 GO:0006094 GO:0006096 GO:0006915 GO:0009277 GO:0016491 GO:0016620 GO:0050661 GO:0051287 GO:0055114 GO:0072593
150.060.2297.480.060.404r6hA GO:0005215 GO:0005886 GO:0006810 GO:0016020
160.060.2426.670.030.394chiA GO:0003824 GO:0008152 GO:0008483 GO:0016740
170.060.2056.740.070.333b12A GO:0003824 GO:0016787 GO:0018785
180.060.2405.930.040.353rh7A GO:0000166 GO:0010181 GO:0016491 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0003676
GO-Score 0.50
Biological Processes GO:0044238
GO-Score 0.32
Cellular Component GO:0016021
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.