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I-TASSER results for job id Rv2827c

[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 1a9x1 III Rep, Mult 13,15,16,55,56,61
20.04 2 1lm1A F3S Rep, Mult 17,18,22,35,36,37,40,44,45
30.04 2 1n2jA BAL Rep, Mult 188,191
40.04 2 1rwtH CLA Rep, Mult 200,203,204,224,228
50.04 2 1zelB NA Rep, Mult 26,34,37,38
60.04 2 5hmiA 62T Rep, Mult 32,35
70.02 1 3cu0B MN Rep, Mult 82,203,215
80.02 1 1sw1A ZN Rep, Mult 47,49
90.02 1 3hlnJ CA Rep, Mult 24,25
100.02 1 1hgyA GLC Rep, Mult 71,124,197
110.02 1 3urqA IMD Rep, Mult 82,83,86
120.02 1 2byoA LNL Rep, Mult 19,26
130.02 1 1ebeA O Rep, Mult 57,60
140.02 1 3lw5K CLA Rep, Mult 227,231
150.02 1 3e49B IMD Rep, Mult 174,175,178,179,180
160.02 1 2b51A MN Rep, Mult 82,114
170.02 1 3nyhA IOD Rep, Mult 135,136,190
180.02 1 1nx0B III Rep, Mult 18,22
190.02 1 1y10D CA Rep, Mult 77,94
200.02 1 1c6cA AR Rep, Mult 216,231

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
10.0601ojnA0.4155.980.0630.6814.2.2.1NA
20.0601g5aA0.4056.320.0700.6852.4.1.4NA
30.0601hn0A0.4176.620.0430.7324.2.2.20NA
40.0601i8qA0.4056.630.0330.7254.2.2.181,140
50.0601ta9B0.3956.270.0760.6641.1.1.6NA
60.0601jqnA0.4076.060.0600.6684.1.1.31NA
70.0603hkzJ0.3976.530.0720.6852.7.7.65,61
80.0601lf6A0.4196.350.0380.7123.2.1.354
90.0603mwdA0.4225.900.0540.6812.3.3.8NA
100.0602cqsA0.4396.040.0760.7052.4.1.20NA
110.0602ztgA0.3966.160.0390.6646.1.1.75
120.0601h54B0.3876.200.0240.6372.4.1.8NA
130.0603cf4A0.4076.160.0650.6851.2.99.2NA
140.0601xkvB0.3996.690.0730.6984.1.1.499,85
150.0602zuwC0.3916.580.0610.6922.4.1.21125,58
160.0602qf7A0.4006.400.0650.6856.4.1.1NA
170.0601r7aA0.3886.300.0480.6712.4.1.7NA
180.0602q1fA0.3976.960.0440.7124.2.2.21NA
190.0601s46A0.4066.300.0510.6852.4.1.422

(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
00.070.4286.230.050.725a2vB GO:0000287 GO:0002134 GO:0004652 GO:0005524 GO:0005739 GO:0006378 GO:0030145 GO:0042802 GO:0042803 GO:0043231 GO:0044822 GO:0071044
10.060.4256.140.080.701v7vA GO:0003824 GO:0005975 GO:0016740 GO:0030246 GO:0046872
20.060.3935.890.040.633cihA GO:0003824
30.060.3955.750.080.623w5mA GO:0003824 GO:0046872
40.060.4236.170.070.684zlfA GO:0003824 GO:0005975 GO:0030246
50.060.3477.080.040.663qdeA GO:0003824 GO:0005975 GO:0016740 GO:0016757 GO:0030246 GO:0047738
60.060.4345.970.050.692okxA GO:0003824
70.060.3626.060.050.593pq1A GO:0000166 GO:0000287 GO:0002134 GO:0003723 GO:0004652 GO:0005524 GO:0005737 GO:0005739 GO:0006351 GO:0006378 GO:0006397 GO:0016740 GO:0016779 GO:0030145 GO:0042802 GO:0042803 GO:0043231 GO:0044822 GO:0046872 GO:0071044
80.060.3297.340.060.661yq2A GO:0003824 GO:0004553 GO:0004565 GO:0005975 GO:0008152 GO:0009341 GO:0016787 GO:0016798 GO:0030246 GO:0046872
90.060.4356.060.070.703acsA GO:0003824 GO:0005975 GO:0030246
100.060.3126.390.040.533pq1B GO:0000166 GO:0000287 GO:0002134 GO:0003723 GO:0004652 GO:0005524 GO:0005737 GO:0005739 GO:0006351 GO:0006378 GO:0006397 GO:0016740 GO:0016779 GO:0030145 GO:0042802 GO:0042803 GO:0043231 GO:0044822 GO:0046872 GO:0071044
110.060.3326.100.070.554ud5B GO:0000166 GO:0000287 GO:0002134 GO:0003723 GO:0004652 GO:0005524 GO:0005737 GO:0005829 GO:0016740 GO:0016779 GO:0036450 GO:0046872 GO:0050265 GO:0071076
120.060.3127.140.030.593nybA GO:0004652 GO:0005634 GO:0005730 GO:0005829 GO:0006284 GO:0006400 GO:0007049 GO:0007067 GO:0016740 GO:0016779 GO:0031499 GO:0034459 GO:0034475 GO:0042138 GO:0043629 GO:0045910 GO:0046872 GO:0051301 GO:0051575 GO:0071031 GO:0071035 GO:0071036 GO:0071037 GO:0071038 GO:0071039 GO:0071040 GO:0071042 GO:0071044 GO:0071047 GO:0071050 GO:0071051
130.060.3066.550.060.533w5gA GO:0004553 GO:0004565 GO:0005975 GO:0008152 GO:0016787 GO:0016798
140.060.3386.400.070.582guwB GO:0003824 GO:0008152 GO:0008714 GO:0009116 GO:0016787 GO:0016798 GO:0044209 GO:0046033
150.060.3137.080.050.593hj1B GO:0005739 GO:0006351 GO:0050265
160.060.3325.920.040.534e7xD GO:0000166 GO:0000287 GO:0002134 GO:0003723 GO:0004652 GO:0005524 GO:0005737 GO:0005829 GO:0016740 GO:0016779 GO:0036450 GO:0046872 GO:0050265 GO:0071076
170.060.2736.540.040.472j0rA GO:0006810 GO:0006811 GO:0006826 GO:0055072
180.060.3086.140.050.505jnbC GO:0000166 GO:0004652 GO:0005524 GO:0005737 GO:0006397 GO:0006997 GO:0007275 GO:0009792 GO:0016740 GO:0031379 GO:0043186 GO:0043234 GO:0043631 GO:0046872 GO:0051302 GO:0051321


Consensus prediction of GO terms
 
Molecular Function GO:0030246 GO:0000287 GO:0044822 GO:0030145 GO:0004652 GO:0042803 GO:0002134 GO:0005524
GO-Score 0.12 0.07 0.07 0.07 0.07 0.07 0.07 0.07
Biological Processes GO:0005975 GO:0071044 GO:0006378
GO-Score 0.12 0.07 0.07
Cellular Component GO:0005739
GO-Score 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.