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I-TASSER results for job id Rv1639c

[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
10.14 5 2hu5A UUU Rep, Mult 229,230,315,316,344,447
20.11 4 1wb4A SXX Rep, Mult 315,316,319,340,341,343,394,395,398
30.06 2 3hrhA GOL Rep, Mult 229,230,231,315,449
40.06 2 2bgrA UUU Rep, Mult 180,200,259,261,262,263
50.06 2 2bgrB UUU Rep, Mult 184,195,197,198,199
60.03 1 1f0nA MPD Rep, Mult 315,316,352,353,420
70.03 1 1f0pA TRE Rep, Mult 229,230,231,315,413,416,447,449,452
80.03 1 1gklA FER Rep, Mult 315,319,340,341,343,410

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
10.1711wb4B0.4692.920.1460.5173.2.1.8179,202,217,299
20.0743fcxB0.4772.630.1690.5193.1.2.12291
30.0671qz3A0.4703.770.1060.5563.1.1.1315,447
40.0603c6bA0.4832.930.1610.5343.1.2.12233,316,447
50.0601hlgB0.4233.860.0990.4993.1.1.3290,331
60.0602d5lA0.4984.730.0900.6093.4.14.-315,447
70.0601k8qA0.4334.080.1070.5193.1.1.3315
80.0602bklB0.5374.990.1000.6773.4.21.26447
90.0602c7bA0.4543.430.1610.5213.1.1.1NA
100.0603g0bB0.5294.870.0790.6633.4.14.5455
110.0603fakA0.4643.610.0980.5403.1.1.-NA
120.0601orvA0.5274.770.0810.6523.4.14.5315,447
130.0601yr2A0.4704.900.0880.5893.4.21.26315
140.0602gbcA0.5314.960.0890.6673.4.14.5,3.4.15.5315,447
150.0601b41A0.4315.040.0950.5583.1.1.7NA
160.0601thgA0.4444.970.0790.5603.1.1.3317
170.0603k2iA0.4314.560.1070.5263.1.2.2NA
180.0601ac5A0.4404.540.0870.5403.4.16.6201
190.0602o7rA0.4474.150.1470.5383.1.1.1315,447
200.0601jjfA0.4832.180.1710.5133.2.1.8236,316,448
210.0601hlgA0.4233.500.0970.4893.1.1.3NA
220.0601r9mB0.5304.940.0800.6653.4.14.5315,447

(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
00.310.4692.390.170.511dqyA GO:0004144 GO:0005576 GO:0005618 GO:0006869 GO:0009247 GO:0016740 GO:0016746 GO:0016747 GO:0046677 GO:0050348 GO:0071769
10.240.4692.470.160.511f0nA GO:0004144 GO:0005576 GO:0005618 GO:0005886 GO:0016740 GO:0016746 GO:0016747 GO:0040007 GO:0044119 GO:0046677 GO:0050348 GO:0052572
20.230.4832.180.170.511jjfA GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246 GO:0031176 GO:0033905 GO:0045493
30.210.4852.650.130.535cxxB GO:0016787 GO:0030600
40.210.5254.990.070.671xfdA GO:0005886 GO:0006508 GO:0008076 GO:0008236 GO:0008239 GO:0009986 GO:0015459 GO:0016020 GO:0016021 GO:0043025 GO:0043268 GO:0070062 GO:0072659 GO:1901379
50.210.4862.620.150.533i6yA GO:0016787 GO:0018738 GO:0046294 GO:0052689
60.150.4772.630.170.523fcxB GO:0005737 GO:0005788 GO:0016023 GO:0016787 GO:0016788 GO:0018738 GO:0031410 GO:0046294 GO:0047374 GO:0052689 GO:0070062 GO:1901687
70.140.4873.010.170.541pv1A GO:0005737 GO:0005829 GO:0016787 GO:0018738 GO:0046294 GO:0052689
80.110.5484.780.100.693munA GO:0004252 GO:0006508 GO:0008236 GO:0070008
90.090.4872.540.140.533ls2A GO:0016787 GO:0018738 GO:0046294 GO:0052689
100.070.4832.850.140.534b6gA GO:0016787 GO:0018738 GO:0046294 GO:0052689
110.070.4782.730.160.523e4dA GO:0016787 GO:0018738 GO:0046294 GO:0046872 GO:0052689
120.070.4944.530.130.603mgaA GO:0005506 GO:0005737 GO:0006826 GO:0008849
130.070.4752.550.160.521sfrA GO:0004144 GO:0005576 GO:0005618 GO:0005737 GO:0005886 GO:0016740 GO:0016746 GO:0016747 GO:0044119 GO:0044121 GO:0050348
140.070.5485.150.110.713azoA GO:0004177 GO:0006508 GO:0008236
150.070.4944.650.100.602b20A GO:0005506 GO:0005737 GO:0006826 GO:0008849 GO:0016787
160.070.5455.050.080.704amyA GO:0004252 GO:0005737 GO:0006508 GO:0008233 GO:0008236 GO:0016787 GO:0070008
170.070.5364.690.130.663o4jC GO:0005737 GO:0006508 GO:0008236 GO:0016787
180.070.5374.990.100.682bklB GO:0004252 GO:0006508 GO:0008236 GO:0070008
190.070.5365.230.100.694hvtA GO:0004252 GO:0006508 GO:0008236 GO:0016787 GO:0070008
200.070.5364.900.080.674hxgF GO:0006508 GO:0008236 GO:0046872
210.070.5355.370.090.702xe4A GO:0004252 GO:0005737 GO:0005829 GO:0006508 GO:0008236 GO:0016787 GO:0070008 GO:0070012
220.070.5214.930.110.662ecfA GO:0006508 GO:0008236
230.070.5285.030.070.674n8eB GO:0001618 GO:0001662 GO:0001666 GO:0002020 GO:0004177 GO:0004252 GO:0005102 GO:0005576 GO:0005765 GO:0005886 GO:0005925 GO:0006508 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0008284 GO:0009986 GO:0010716 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0030027 GO:0030054 GO:0030139 GO:0031258 GO:0031295 GO:0033632 GO:0035641 GO:0036343 GO:0042110 GO:0042802 GO:0042803 GO:0042995 GO:0043542 GO:0045121 GO:0046581 GO:0046718 GO:0070062 GO:0071438
240.070.5274.810.090.661z68A GO:0001525 GO:0002020 GO:0004175 GO:0004222 GO:0004252 GO:0005178 GO:0005576 GO:0005615 GO:0005737 GO:0005886 GO:0005925 GO:0006508 GO:0006915 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0009986 GO:0010710 GO:0010716 GO:0016020 GO:0016021 GO:0016787 GO:0030027 GO:0030054 GO:0031258 GO:0032587 GO:0042803 GO:0042995 GO:0043542 GO:0045177 GO:0045178 GO:0046983 GO:0051603 GO:0051917 GO:0060244 GO:0071158 GO:0071438 GO:0071850 GO:0097325 GO:1900119 GO:1902362 GO:1903054
250.070.5264.940.080.664wjlB GO:0005886 GO:0006508 GO:0008236 GO:0008239 GO:0015459 GO:0016020 GO:0016021 GO:0072659 GO:0090004 GO:1901379
260.070.5314.960.090.672gbcA GO:0002020 GO:0002709 GO:0004177 GO:0004252 GO:0005102 GO:0005518 GO:0005576 GO:0005783 GO:0005794 GO:0005886 GO:0006508 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0008284 GO:0009986 GO:0010716 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0030027 GO:0030054 GO:0030139 GO:0031258 GO:0031295 GO:0042277 GO:0042803 GO:0042995 GO:0043542 GO:0045121 GO:0051234 GO:0071438
270.070.5284.850.080.662aj8A GO:0001618 GO:0001662 GO:0001666 GO:0002020 GO:0004177 GO:0004252 GO:0005102 GO:0005576 GO:0005765 GO:0005886 GO:0005925 GO:0006508 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0008284 GO:0009986 GO:0010716 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0030027 GO:0030054 GO:0030139 GO:0031258 GO:0031295 GO:0033632 GO:0035641 GO:0036343 GO:0042110 GO:0042802 GO:0042803 GO:0042995 GO:0043542 GO:0045121 GO:0046581 GO:0046718 GO:0070062 GO:0071438
280.070.5105.150.090.644q1vA GO:0006508 GO:0008236 GO:0016787 GO:0046872
290.070.4984.730.090.612d5lA GO:0004177 GO:0006508 GO:0008233 GO:0008236 GO:0016787
300.070.4915.550.090.644bp8A GO:0004252 GO:0006508 GO:0008236 GO:0070008
310.070.4704.900.090.591yr2A GO:0004252 GO:0006508 GO:0008236 GO:0016787 GO:0070008


Consensus prediction of GO terms
 
Molecular Function GO:0004144 GO:0050348 GO:0097599 GO:0052689 GO:0016247 GO:0004177 GO:0017171 GO:0005488
GO-Score 0.48 0.48 0.46 0.42 0.42 0.42 0.42 0.37
Biological Processes GO:0052200 GO:0052564 GO:0044117 GO:0046677 GO:0045491 GO:0016052 GO:0009057 GO:0043270 GO:0019538 GO:0043266 GO:1904062 GO:0007009 GO:1990778 GO:0071805 GO:0072657 GO:0009247 GO:0006869 GO:0071769
GO-Score 0.49 0.49 0.49 0.48 0.46 0.46 0.46 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.31 0.31 0.31
Cellular Component GO:0005618 GO:0098797 GO:0036477 GO:0005887 GO:0044297 GO:0031988 GO:1903561 GO:0034705
GO-Score 0.48 0.42 0.42 0.42 0.42 0.42 0.42 0.42

(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.