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I-TASSER results for job id Rv0314c

[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
10.12 6 1ea0A F3S Rep, Mult 177,178,179,180,196,199,210
20.10 5 3wmn1 CRT Rep, Mult 20,24
30.04 2 4rkuL CLA Rep, Mult 23,27
40.02 1 3tvuB B37 Rep, Mult 137,149,156,157
50.02 1 1kj4B III Rep, Mult 206,208
60.02 1 4qjsU MG Rep, Mult 28,32
70.02 1 3iylA MYR Rep, Mult 159,175
80.02 1 1lt6P GAA Rep, Mult 193,194
90.02 1 1lm1A F3S Rep, Mult 148,149,150,152,155,165,166
100.02 1 3pgqB GY3 Rep, Mult 175,176,192,193
110.02 1 1vq9B MG Rep, Mult 210,212
120.02 1 5klgA 6UC Rep, Mult 27,30
130.02 1 1b5fB UUU Rep, Mult 162,183
140.02 1 2vn4A MAN Rep, Mult 140,141
150.02 1 5ioeB ZN Rep, Mult 25,29

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
10.0601uyrA0.4885.400.0560.7916.4.1.2,6.3.4.14NA
20.0601k9yA0.3786.330.0400.7093.1.3.7NA
30.0602a7sA0.4785.380.0610.7916.4.1.3NA
40.0601xnvA0.4835.280.0510.7866.4.1.3204
50.0601omjA0.7143.960.1290.9503.4.24.4024
60.0601bheA0.4645.450.0530.7543.2.1.15NA
70.0602vdcA0.5265.730.0570.8911.4.1.13NA
80.0601ea0A0.4456.020.0620.8001.4.1.13NA
90.0603jurD0.4675.410.0510.7463.2.1.15NA
100.0601wmrA0.4635.680.0620.7773.2.1.57NA
110.0601on3E0.4805.390.0770.7912.1.3.1194
120.0601dboA0.4505.710.0520.7544.2.2.19NA
130.0601af0A0.7233.980.1430.9773.4.24.40NA
140.0601ofdA0.5125.740.0900.8681.4.7.1NA
150.0601xnyA0.4825.340.0710.7956.4.1.3177
160.0603hdaP0.6363.370.1260.8093.4.24.-24
170.0601go7P0.7233.830.1200.9683.4.24.-NA
180.0601l8aA0.4405.690.0250.7411.2.4.1NA
190.0601llwA0.5165.690.0840.8771.4.7.1NA

(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
00.120.7233.830.120.971go7P GO:0004222 GO:0005509 GO:0005576 GO:0005615 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0031012 GO:0046872
10.120.7234.040.120.981aklA GO:0001869 GO:0004222 GO:0005509 GO:0005576 GO:0005615 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0009405 GO:0010765 GO:0016787 GO:0045959 GO:0046872
20.120.7233.980.140.981af0A GO:0004222 GO:0005509 GO:0005576 GO:0005615 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0009405 GO:0016787 GO:0031012 GO:0046872
30.120.7143.960.130.951omjA GO:0004222 GO:0005509 GO:0005615 GO:0006508 GO:0008237 GO:0008270 GO:0016787 GO:0046872
40.070.6363.370.130.813hdaP GO:0004222 GO:0005509 GO:0005576 GO:0005615 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0031012 GO:0046872
50.060.4015.200.050.632quaA GO:0004806 GO:0016787 GO:0046872
60.060.4045.350.050.653a6zC GO:0005509 GO:0046872
70.060.3525.630.080.612mzeA GO:0004222 GO:0004252 GO:0005576 GO:0005578 GO:0005615 GO:0006508 GO:0007568 GO:0008201 GO:0008233 GO:0008237 GO:0008270 GO:0009986 GO:0016787 GO:0022617 GO:0030574 GO:0031012 GO:0031667 GO:0044849 GO:0046872 GO:0060135 GO:0070062 GO:0071260
80.060.2975.710.060.523wcxA GO:0004767 GO:0005576 GO:0008081 GO:0016787
90.060.3596.320.060.685evlA GO:0008800 GO:0016787 GO:0017001 GO:0030288 GO:0046677
100.060.3106.080.050.572pz8A GO:0000166 GO:0003952 GO:0005524 GO:0006734 GO:0008795 GO:0009435 GO:0016874 GO:0030436
110.060.3376.290.080.611fblA GO:0004175 GO:0004222 GO:0005509 GO:0005576 GO:0005578 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0030574 GO:0031012 GO:0032461 GO:0046872
120.060.3345.890.050.601slmA GO:0004175 GO:0004222 GO:0004252 GO:0005509 GO:0005576 GO:0005578 GO:0005615 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0010727 GO:0016787 GO:0022617 GO:0030574 GO:0031012 GO:0032461 GO:0046872 GO:0071732 GO:1903209
130.060.3396.180.070.621su3B GO:0004175 GO:0004222 GO:0004252 GO:0005509 GO:0005576 GO:0005578 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016032 GO:0016787 GO:0022617 GO:0030574 GO:0031012 GO:0032461 GO:0044267 GO:0046872 GO:0050900
140.060.3256.300.040.604fu4A GO:0001503 GO:0001554 GO:0001649 GO:0001666 GO:0001958 GO:0001968 GO:0003417 GO:0004222 GO:0004252 GO:0005509 GO:0005518 GO:0005576 GO:0005578 GO:0005615 GO:0005764 GO:0005794 GO:0006508 GO:0007507 GO:0007567 GO:0008233 GO:0008237 GO:0008270 GO:0009612 GO:0016787 GO:0022617 GO:0030282 GO:0030574 GO:0031012 GO:0035116 GO:0042493 GO:0043171 GO:0043627 GO:0044267 GO:0044849 GO:0046581 GO:0046872 GO:0048306 GO:0050750 GO:0051216 GO:0060349 GO:0071498 GO:1904244
150.060.2756.340.030.545g04R GO:0000922 GO:0005634 GO:0005654 GO:0005680 GO:0005737 GO:0005813 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0007049 GO:0007062 GO:0007067 GO:0007399 GO:0008022 GO:0008284 GO:0010997 GO:0016567 GO:0019899 GO:0030154 GO:0031145 GO:0031915 GO:0040020 GO:0042787 GO:0042826 GO:0043161 GO:0043234 GO:0048471 GO:0050773 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0090129 GO:0097027 GO:1904668
160.060.3155.790.040.552rjqA GO:0004222 GO:0005178 GO:0005576 GO:0005578 GO:0005615 GO:0005788 GO:0006508 GO:0008201 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0022617 GO:0031012 GO:0036066 GO:0042742 GO:0046872 GO:0050840
170.060.2786.210.060.502aigP GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0016787 GO:0046872
180.060.2796.230.060.504j4mB GO:0004222 GO:0006508 GO:0008237 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0008270 GO:0004222 GO:0005509
GO-Score 0.45 0.45 0.45
Biological Processes GO:0051704 GO:0006508
GO-Score 0.46 0.45
Cellular Component GO:0005615
GO-Score 0.45

(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.