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I-TASSER results for job id Rv2868c

[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
10.61 9 3noyA SF4 Rep, Mult 280,281,282,283,285,286,313,314,315,319,322
20.39 6 4g9pA CDI Rep, Mult 42,69,95,97,115,143,147,191,218,219,247,249
30.05 1 3noyB SF4 Rep, Mult 161,162
40.03 1 3aboC NA Rep, Mult 59,254,255,259

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
10.2052vp8B0.4943.160.1360.5632.5.1.1595,192,248
20.2031xbzB0.4532.710.1120.5094.1.1.8579,80
30.1082yr1B0.5113.100.1280.5794.2.1.10248
40.0673js3A0.5043.120.1440.5744.2.1.10NA
50.0601iq8A0.5205.140.0690.6952.4.2.29NA
60.0601gqnA0.5023.050.1580.5694.2.1.10NA
70.0602yr1A0.5103.100.1280.5794.2.1.10NA
80.0602eqdA0.5064.960.1030.6853.2.1.151NA
90.0602i2xA0.5113.800.0520.6102.1.1.90235
100.0601rh9A0.5053.910.0650.6183.2.1.78NA
110.0603h2aB0.5283.070.1330.6022.5.1.15NA
120.0601g7uA0.5083.230.1100.5872.5.1.55,4.1.2.16NA
130.0603ivtB0.5124.030.0790.6122.3.3.14NA
140.0602vegA0.5083.020.1550.5812.5.1.15231
150.0601wkyA0.5604.910.0690.7343.2.1.78NA
160.0602vtfA0.5225.440.0700.7363.2.1.96136,141,172,214
170.0603e9aA0.5153.050.1150.5872.5.1.55NA
180.0601edgA0.5083.930.0810.6283.2.1.4202
190.0602qezF0.5373.580.0830.6334.3.1.7NA
200.0601xc6A0.5484.840.0760.7243.2.1.23118,145
210.0601d9eD0.5113.010.1120.5812.5.1.55,4.1.2.16NA
220.0601dioA0.5354.130.0830.6594.2.1.28NA
230.0601aj0A0.5133.230.1200.5922.5.1.1569,271

(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
00.550.8920.960.500.913noyB GO:0003824 GO:0005506 GO:0008299 GO:0016114 GO:0016491 GO:0019288 GO:0046429 GO:0046872 GO:0051536 GO:0051539 GO:0055114
10.500.6251.830.490.664mwaF GO:0003824 GO:0005506 GO:0008299 GO:0016114 GO:0016491 GO:0019288 GO:0044237 GO:0046429 GO:0046872 GO:0051536 GO:0051539 GO:0055114
20.420.7163.460.310.824g9pA GO:0005506 GO:0008299 GO:0016114 GO:0016491 GO:0019288 GO:0044237 GO:0046429 GO:0046872 GO:0051536 GO:0051539 GO:0055114
30.090.5032.940.160.574lu0D GO:0003824 GO:0005737 GO:0008152 GO:0008676 GO:0009058 GO:0009103 GO:0009276 GO:0015976 GO:0016740 GO:0019294
40.080.4263.720.090.513fs2A GO:0003824 GO:0005737 GO:0008152 GO:0008676 GO:0009058 GO:0009103 GO:0016740 GO:0019294
50.060.4654.110.090.571jpmA GO:0003824 GO:0008152 GO:0016853 GO:0016998 GO:0046872 GO:0071555
60.060.3974.560.080.523ijqA GO:0000287 GO:0003824 GO:0006518 GO:0008152 GO:0016853 GO:0016854 GO:0046872 GO:0071555
70.060.4673.890.130.563i4kA GO:0003824 GO:0008152 GO:0016853 GO:0018849 GO:0018850 GO:0030145 GO:0046872
80.060.4034.750.110.542zadA GO:0003824 GO:0008152 GO:0016853 GO:0016855 GO:0016998 GO:0046872 GO:0071555
90.060.2676.230.040.401b5oA GO:0003824 GO:0004069 GO:0005737 GO:0008483 GO:0009058 GO:0016740 GO:0030170 GO:0080130
100.060.2936.070.050.443sxpD GO:0000166 GO:0003824 GO:0005975 GO:0008712 GO:0016853 GO:0050661 GO:0050662 GO:0097171
110.060.2806.010.090.423cisG GO:0000166 GO:0001666 GO:0005524 GO:0005618 GO:0005829 GO:0005886 GO:0006950 GO:0009405 GO:0040007 GO:0040008 GO:0085014
120.060.2616.510.070.422ap1A GO:0000166 GO:0005524 GO:0005975 GO:0006044 GO:0008270 GO:0009254 GO:0016301 GO:0016310 GO:0016740 GO:0045127 GO:0046835 GO:0046872
130.060.2705.560.080.382jaxA GO:0000166 GO:0001666 GO:0005524 GO:0005618 GO:0005829 GO:0005886 GO:0006950 GO:0009405 GO:0040007 GO:0040008 GO:0085014
140.060.2687.220.050.483ab4A GO:0000166 GO:0004072 GO:0005524 GO:0008152 GO:0008652 GO:0009085 GO:0009088 GO:0009089 GO:0016301 GO:0016310 GO:0016597 GO:0016740 GO:0019877
150.060.2505.870.070.382dx7A GO:0006520 GO:0006807 GO:0008152 GO:0016853 GO:0016855 GO:0036361 GO:0047689
160.060.2807.080.070.483aawC GO:0000166 GO:0004072 GO:0005524 GO:0008152 GO:0008652 GO:0009085 GO:0009088 GO:0009089 GO:0016301 GO:0016310 GO:0016597 GO:0016740 GO:0019877
170.060.2257.170.070.391y11A GO:0000166 GO:0004016 GO:0005524 GO:0005622 GO:0005886 GO:0006171 GO:0007165 GO:0008289 GO:0009190 GO:0009268 GO:0009405 GO:0016829 GO:0016849 GO:0030145 GO:0035556 GO:0046872
180.060.2176.520.050.353ndcA GO:0008152 GO:0008168 GO:0009236 GO:0016740 GO:0032259 GO:0046026 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0046429 GO:0051539 GO:0005506 GO:0016765
GO-Score 0.87 0.87 0.87 0.32
Biological Processes GO:0019288 GO:0055114 GO:0016114 GO:0046400 GO:0046394 GO:0009103
GO-Score 0.87 0.87 0.87 0.32 0.32 0.32
Cellular Component GO:0044424
GO-Score 0.32

(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.