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I-TASSER results for job id Rv0633c

[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
10.06 3 5dirB MLE Rep, Mult 29,30,204,206,218
20.06 3 2ql2A NUC Rep, Mult 235,236,239
30.04 2 2r42A MG Rep, Mult 83,85,86,129,140
40.04 2 4wb7B ZN Rep, Mult 248,249
50.04 2 1cc1L SF4 Rep, Mult 50,55
60.04 2 1f31A UUU Rep, Mult 93,159,161,171
70.02 1 1vykA ZN Rep, Mult 12,17,212
80.02 1 3j47V III Rep, Mult 34,38,41
90.02 1 3o8nA ADP Rep, Mult 110,135,136,137,138,141
100.02 1 1zavA III Rep, Mult 36,43
110.02 1 2wse1 CLA Rep, Mult 40,44
120.02 1 4jolB III Rep, Mult 207,210,211,213,214
130.02 1 3o8oB F6P Rep, Mult 56,57,58,80
140.02 1 1r4pA FMT Rep, Mult 47,48,51
150.02 1 1vltA ASP Rep, Mult 250,254
160.02 1 3o8lB PO4 Rep, Mult 41,51,82,83
170.02 1 3ojaB MAN Rep, Mult 215,218
180.02 1 1i6qA CO3 Rep, Mult 84,85

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
10.0602e1qA0.3736.030.0470.6171.17.3.2,1.17.1.4NA
20.0603ixzA0.3886.240.0200.6453.6.3.1089
30.0601gaxA0.3706.080.0800.6026.1.1.9NA
40.0601z0hB0.2496.180.0620.4303.4.24.69209
50.0602gewA0.3995.560.0500.6311.1.3.6NA
60.0603b9jJ0.2466.120.0220.4091.17.1.4,1.17.3.2138,154
70.0602hkjA0.2916.640.0330.5205.99.1.361
80.0601tt0A0.4036.040.0590.6741.1.3.10NA
90.0601pj6A0.3716.860.0440.6951.5.3.10NA
100.0602iveA0.3696.520.0740.6591.3.3.4NA
110.0601cf3A0.3806.420.0530.6561.1.3.4196
120.0601kdgB0.4115.530.0420.6421.1.99.18,158
130.0601e3xA0.3416.530.0380.6203.2.1.144,55
140.0603b9jI0.1844.970.0390.2691.17.1.4,1.17.3.2NA
150.0601bliA0.3116.540.0530.5483.2.1.151
160.0601fo4A0.4115.890.0330.6671.17.1.4NA
170.0602jbvB0.4065.950.0630.6591.1.3.17NA
180.0603g61A0.3675.780.0530.5913.6.3.44NA
190.0602c6fA0.3815.740.0390.5913.4.15.138

(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
00.150.7802.370.070.864nx9A GO:0005198 GO:0005576 GO:0009288 GO:0009420 GO:0071973
10.090.4674.790.070.662j68A GO:0000166 GO:0003924 GO:0005525 GO:0005886 GO:0008289 GO:0016020 GO:0016021 GO:0016787
20.070.5343.640.050.643k8vA GO:0005198 GO:0005576 GO:0009288 GO:0009420 GO:0044781 GO:0071973
30.070.5303.720.060.654cfiA GO:0005198 GO:0005576 GO:0009288 GO:0009420 GO:0071973
40.060.4574.270.100.573v47C GO:0005198 GO:0005576 GO:0009288 GO:0009420 GO:0071973
50.060.3515.530.030.554aurA GO:0005525
60.060.4472.690.030.513pwxA GO:0005198 GO:0009288 GO:0009424 GO:0071973
70.060.2956.230.020.493w6nB GO:0000166 GO:0000266 GO:0001836 GO:0003374 GO:0003924 GO:0005525 GO:0005737 GO:0005739 GO:0005741 GO:0005777 GO:0005794 GO:0005829 GO:0005874 GO:0005903 GO:0005905 GO:0006897 GO:0006921 GO:0008289 GO:0010821 GO:0012501 GO:0012505 GO:0015630 GO:0016020 GO:0016559 GO:0016787 GO:0030054 GO:0030672 GO:0031410 GO:0031625 GO:0032459 GO:0042802 GO:0042803 GO:0043065 GO:0043231 GO:0043234 GO:0043653 GO:0045202 GO:0048471 GO:0050714 GO:0051289 GO:0060047 GO:0061025 GO:0070266 GO:0070584 GO:0070585 GO:0090141 GO:0090149 GO:0090200 GO:1900063 GO:1903146 GO:1903578 GO:2001244
80.060.2556.000.040.423tviE GO:0004072 GO:0008152 GO:0008652 GO:0009088 GO:0009089 GO:0016301 GO:0016310 GO:0016597 GO:0016740
90.060.2805.980.060.464ryeA GO:0004175 GO:0004180 GO:0005887 GO:0006508 GO:0009002 GO:0009252 GO:0016787
100.060.2475.800.050.385ady6 GO:0000166 GO:0000287 GO:0003924 GO:0005524 GO:0005525 GO:0005737 GO:0005829 GO:0009408 GO:0019042 GO:0019843 GO:0043022 GO:0046872
110.060.2676.960.040.504h1uA GO:0000166 GO:0000266 GO:0001836 GO:0003374 GO:0003924 GO:0005525 GO:0005737 GO:0005739 GO:0005741 GO:0005777 GO:0005794 GO:0005829 GO:0005874 GO:0005903 GO:0005905 GO:0006897 GO:0006921 GO:0008289 GO:0010821 GO:0012501 GO:0012505 GO:0015630 GO:0016020 GO:0016559 GO:0016787 GO:0030054 GO:0030672 GO:0031410 GO:0031625 GO:0032459 GO:0042802 GO:0042803 GO:0043065 GO:0043231 GO:0043234 GO:0043653 GO:0045202 GO:0048471 GO:0050714 GO:0051289 GO:0060047 GO:0061025 GO:0070266 GO:0070584 GO:0070585 GO:0090141 GO:0090149 GO:0090200 GO:1900063 GO:1903146 GO:1903578 GO:2001244
120.060.2356.730.060.432aa4A GO:0000166 GO:0005524 GO:0005975 GO:0006051 GO:0006974 GO:0008270 GO:0009384 GO:0016301 GO:0016310 GO:0016740 GO:0019262 GO:0046835 GO:0046872
130.060.4343.050.060.493a5xA GO:0002755 GO:0005198 GO:0005576 GO:0005886 GO:0009288 GO:0009420 GO:0034146 GO:0071973
140.060.2966.830.030.555c8sB GO:0000166 GO:0000175 GO:0001172 GO:0003676 GO:0003723 GO:0003725 GO:0003727 GO:0003968 GO:0004197 GO:0004386 GO:0004482 GO:0004483 GO:0004518 GO:0004519 GO:0004527 GO:0005524 GO:0006351 GO:0006370 GO:0006508 GO:0008168 GO:0008233 GO:0008234 GO:0008242 GO:0008270 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0016788 GO:0016817 GO:0016896 GO:0019079 GO:0019082 GO:0019083 GO:0030430 GO:0030683 GO:0032259 GO:0033644 GO:0036265 GO:0036459 GO:0039502 GO:0039503 GO:0039519 GO:0039520 GO:0039549 GO:0039579 GO:0039595 GO:0039604 GO:0039644 GO:0039648 GO:0039657 GO:0039690 GO:0039694 GO:0039714 GO:0044172 GO:0044220 GO:0046872 GO:0071108 GO:0080009 GO:0090305 GO:0090503 GO:1990380 GO:2000158
150.060.2225.650.030.341x33C GO:0005198 GO:0019028 GO:0046872
160.060.4313.210.040.522d4xA GO:0005198 GO:0005576 GO:0009288 GO:0009424 GO:0071973
170.060.2166.430.040.381dlpC
180.060.2266.550.030.393wi5A GO:0002755 GO:0005576 GO:0006810 GO:0006811 GO:0009279 GO:0015288 GO:0016020 GO:0016021 GO:0038123 GO:0046930 GO:0055085


Consensus prediction of GO terms
 
Molecular Function GO:0005198
GO-Score 0.31
Biological Processes GO:0071973
GO-Score 0.31
Cellular Component GO:0009420 GO:0005576
GO-Score 0.31 0.31

(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.