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

I-TASSER results for job id Rv1045

[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
10.27 14 1bh5A ZN Rep, Mult 80,146
20.08 4 5cfsA APC Rep, Mult 63,76,78,79,80,82,188,189,192,207,208
30.04 2 4tufC 2HP Rep, Mult 66,211,214
40.02 1 4xjeA AMP Rep, Mult 62,63,80,82,188,189,192,195,208
50.02 1 2w02B SER Rep, Mult 50,53,177,178,179
60.02 1 3er8D RQA Rep, Mult 186,189,191,192,208
70.02 1 4wh5A 3QB Rep, Mult 61,62,63,84,148,157,158,180,184,185,188,189
80.02 1 4wh5B 3QB Rep, Mult 61,82,84,126,146,148,158,188

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
10.0601dl2A0.4186.520.0520.7103.2.1.113NA
20.0601rw9A0.4235.840.0880.6764.2.2.5257
30.0602eabA0.4066.020.0410.6623.2.1.6344
40.0601f0iA0.3596.610.0810.6353.1.4.4NA
50.0601g87B0.4196.210.0560.6933.2.1.4NA
60.0601kq3A0.4025.650.0750.6181.1.1.6NA
70.0601ut9A0.4215.690.0820.6653.2.1.4NA
80.0601tazA0.4005.580.0320.6143.1.4.17211
90.0602ze9A0.4026.320.0420.6933.1.4.4185
100.0603f2bA0.4115.910.0470.6352.7.7.7NA
110.0603c66A0.4126.270.0490.6892.7.7.19NA
120.0603hz3A0.4125.870.0510.6722.4.1.5NA
130.0602drsA0.4275.880.0550.6793.2.1.156NA
140.0601kktA0.4096.340.0530.7003.2.1.113NA
150.0602ri9B0.4156.400.0630.6963.2.1.113185,228
160.0602hpiA0.4195.720.0570.6482.7.7.749
170.0601px5B0.4115.740.0620.6482.7.7.-NA
180.0601fmiA0.4216.410.0640.7073.2.1.113NA
190.0602j5wA0.4185.710.0540.6521.16.3.1NA

(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
00.070.4814.660.050.664wseA GO:0000166 GO:0004652 GO:0005524 GO:0006351 GO:0006397 GO:0016740 GO:0019012
10.070.4615.510.040.714xwlA GO:0000272 GO:0003824 GO:0004553 GO:0008152 GO:0008810 GO:0016162 GO:0016787 GO:0016798 GO:0030245
20.070.4565.630.050.714l0gA GO:0000272 GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0008810 GO:0016787 GO:0016798 GO:0030245 GO:0030246 GO:0030248 GO:0046872
30.070.4555.950.050.731l1yA GO:0000272 GO:0003824 GO:0004553 GO:0005576 GO:0005975 GO:0008152 GO:0008810 GO:0016787 GO:0016798 GO:0030245 GO:0046872
40.070.4625.710.060.735bv9A GO:0003824 GO:0004553 GO:0008810 GO:0016787 GO:0030245
50.060.4465.590.060.694jjjA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0008810 GO:0016162 GO:0016787 GO:0016798 GO:0030245 GO:0030246 GO:0030247 GO:0046872
60.060.3736.240.050.623p5rA GO:0000287 GO:0008152 GO:0010333 GO:0016829 GO:0042617 GO:0046872 GO:0050553
70.060.3456.870.030.621a47A GO:0003824 GO:0005576 GO:0005975 GO:0016740 GO:0016757 GO:0030246 GO:0043169 GO:0043895 GO:0046872 GO:2001070
80.060.4495.680.060.704fusA GO:0003824 GO:0004553 GO:0005975 GO:0008810 GO:0030245 GO:0030246 GO:0030247
90.060.4505.800.030.711f9dA GO:0000272 GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0008810 GO:0016787 GO:0016798 GO:0030245
100.060.3216.280.050.543r5hA GO:0000166 GO:0003824 GO:0004638 GO:0005524 GO:0006164 GO:0006189 GO:0016829 GO:0016874 GO:0034028 GO:0046872 GO:0051287 GO:0055114
110.060.3085.790.060.493kzwA GO:0004177 GO:0005622 GO:0005737 GO:0006508 GO:0008233 GO:0008235 GO:0016787 GO:0019538 GO:0030145 GO:0046872
120.060.2926.510.040.524gfrA GO:0015197 GO:0015833 GO:0030288 GO:0042626 GO:0043190 GO:0046872 GO:0055085
130.060.3055.680.050.482bkaA GO:0001525 GO:0003713 GO:0005634 GO:0005635 GO:0005654 GO:0005737 GO:0006357 GO:0006915 GO:0007275 GO:0016020 GO:0016032 GO:0016491 GO:0030154 GO:0043066 GO:0045765 GO:0051170 GO:0055114
140.060.3176.190.060.531td9D GO:0005737 GO:0006085 GO:0008152 GO:0008959 GO:0016407 GO:0016740 GO:0016746
150.060.2926.430.060.484bvpA GO:0000166 GO:0016787 GO:0046872
160.060.2886.290.020.501b8xA GO:0004364 GO:0016740
170.060.3106.590.050.552j3lB GO:0000166 GO:0002161 GO:0004812 GO:0004827 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006433 GO:0006450 GO:0016874
180.060.2845.760.020.453o6pA GO:0043190 GO:0055085


Consensus prediction of GO terms
 
Molecular Function GO:0004553
GO-Score 0.47
Biological Processes GO:0030243 GO:0051275
GO-Score 0.47 0.47
Cellular Component GO:0005576 GO:0019012
GO-Score 0.07 0.07

(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.