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I-TASSER results for job id Rv1931c

[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
10.10 4 1bl0A NUC Rep, Mult 184,185,187,188,191,206,234,241,242
20.08 3 1d5yB NUC Rep, Mult 206,238,241,245
30.05 2 5i50A NUC Rep, Mult 206,209
40.05 2 1bl0A NUC Rep, Mult 174,175,187,190,191,194,200,202,203,236,237,240,241,244,250,251,252,253
50.05 2 3iemA SSU Rep, Mult 13,15,45,54,55,56
60.03 1 1d5yC NUC Rep, Mult 184,185,187,188,191,192,245
70.02 1 3bg5D BTI Rep, Mult 213,216,217,221,241,251
80.02 1 3ho8B COA Rep, Mult 179,180,181,182,183,185
90.02 1 3etdA B1T Rep, Mult 106,107
100.02 1 4f8hD LMD Rep, Mult 208,212
110.02 1 3ho8A COA Rep, Mult 59,77,78,80,82
120.02 1 3n97A NUC Rep, Mult 217,223,224,237,240

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
10.0603b9jC0.3096.710.0390.5791.17.3.2,1.17.1.4NA
20.0601aknA0.4276.020.0710.7033.1.1.13,3.1.1.3NA
30.0602ckjA0.2966.410.0570.5401.17.1.4,1.17.3.2NA
40.0602qnoA0.4286.490.0510.7723.2.1.4NA
50.0602pffD0.4076.450.0400.7342.3.1.86NA
60.0601c7gA0.4216.580.0570.7804.1.99.2NA
70.0605acnA0.4386.250.0670.7724.2.1.3NA
80.0602qf7B0.4355.830.0550.7306.4.1.1195
90.0602dkfA0.4435.860.0760.7343.1.-.-NA
100.0602ipyA0.4045.890.0630.6724.2.1.367,105
110.0602e1qA0.3396.100.0520.5791.17.3.2,1.17.1.4NA
120.0602fj0A0.4286.080.0460.7183.1.1.1NA
130.0602b3xA0.4326.420.0520.7724.2.1.3NA
140.0603b9jI0.2264.510.0730.3171.17.1.4,1.17.3.2232
150.0601ygpA0.4265.380.0340.6642.4.1.1NA
160.0602c44C0.4526.410.0870.8194.1.99.1NA
170.0601fo4A0.4186.150.0470.7101.17.1.4NA
180.0601ordA0.4366.890.0440.8534.1.1.17NA
190.0601cjyA0.4855.650.0570.7953.1.1.4,3.1.1.5NA

(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
00.230.4072.900.170.493er6A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0043565
10.110.5042.040.130.553mgkB GO:0006508 GO:0008233
20.070.4855.650.060.801cjyA GO:0001542 GO:0001554 GO:0004620 GO:0004622 GO:0004623 GO:0005509 GO:0005544 GO:0005634 GO:0005737 GO:0005743 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006629 GO:0006644 GO:0006654 GO:0006663 GO:0006690 GO:0007568 GO:0008152 GO:0008284 GO:0008970 GO:0009395 GO:0009408 GO:0009725 GO:0010033 GO:0010226 GO:0010243 GO:0016023 GO:0016042 GO:0016787 GO:0019369 GO:0030501 GO:0031340 GO:0031394 GO:0031410 GO:0031622 GO:0032496 GO:0033280 GO:0035035 GO:0035965 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0042127 GO:0042542 GO:0042588 GO:0043065 GO:0043129 GO:0043231 GO:0046456 GO:0046697 GO:0046872 GO:0047498 GO:0048471 GO:0050482 GO:0050729 GO:0051384 GO:0051592 GO:0051597 GO:0071236
30.060.4364.390.070.583uk7C GO:0004462 GO:0016798 GO:0016829 GO:0019172 GO:0019243 GO:0019249
40.060.4143.110.120.513ot1A GO:0003713 GO:0003824 GO:0005634 GO:0005739 GO:0005829 GO:0006357 GO:0009228 GO:0019172 GO:0019243 GO:0019249 GO:0070301
50.060.4215.880.050.705izrC GO:0004620 GO:0004622 GO:0004623 GO:0005737 GO:0005829 GO:0006629 GO:0006644 GO:0006654 GO:0008152 GO:0008970 GO:0009395 GO:0016020 GO:0016042 GO:0016787 GO:0030659 GO:0031410 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0046872
60.060.4172.790.130.494e08A GO:0003713 GO:0005634 GO:0005739 GO:0005829 GO:0006357 GO:0006979 GO:0008344 GO:0019172 GO:0019243 GO:0019249 GO:0042775 GO:0046626 GO:0048640 GO:0070301
70.060.4465.730.050.735iz5A GO:0004620 GO:0004622 GO:0004623 GO:0005737 GO:0005829 GO:0006629 GO:0006644 GO:0006654 GO:0008152 GO:0008970 GO:0009395 GO:0016020 GO:0016042 GO:0016787 GO:0030659 GO:0031410 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0046872
80.060.4172.910.160.502ab0A GO:0003713 GO:0005634 GO:0005739 GO:0005829 GO:0006357 GO:0009228 GO:0009408 GO:0016787 GO:0019172 GO:0019243 GO:0019249 GO:0034599 GO:0042026 GO:0042254 GO:0070301
90.060.4182.660.140.493b38A GO:0000785 GO:0001047 GO:0001933 GO:0001963 GO:0003690 GO:0003697 GO:0003713 GO:0003723 GO:0003729 GO:0005102 GO:0005507 GO:0005634 GO:0005737 GO:0005739 GO:0005747 GO:0005758 GO:0005759 GO:0005783 GO:0005829 GO:0005886 GO:0005913 GO:0006469 GO:0006508 GO:0006517 GO:0006914 GO:0006954 GO:0006979 GO:0007005 GO:0007265 GO:0007338 GO:0008134 GO:0008233 GO:0008344 GO:0010273 GO:0010628 GO:0010629 GO:0016020 GO:0016532 GO:0016605 GO:0016684 GO:0016787 GO:0018323 GO:0019172 GO:0019243 GO:0019249 GO:0019899 GO:0019900 GO:0019955 GO:0030424 GO:0031397 GO:0032091 GO:0032148 GO:0032435 GO:0032757 GO:0033138 GO:0033234 GO:0034599 GO:0034614 GO:0036470 GO:0036471 GO:0036478 GO:0042177 GO:0042493 GO:0042542 GO:0042743 GO:0042802 GO:0042803 GO:0043005 GO:0043066 GO:0043523 GO:0043524 GO:0044297 GO:0044388 GO:0044390 GO:0045121 GO:0045340 GO:0045560 GO:0045944 GO:0046295 GO:0046826 GO:0048471 GO:0050681 GO:0050727 GO:0050787 GO:0050821 GO:0051091 GO:0051444 GO:0051583 GO:0051881 GO:0051897 GO:0051899 GO:0051920 GO:0060081 GO:0060548 GO:0060765 GO:0070062 GO:0070301 GO:0070491 GO:0090073 GO:0097110 GO:0098609 GO:0098641 GO:0098793 GO:0098869 GO:1900182 GO:1901215 GO:1901671 GO:1901984 GO:1902177 GO:1902236 GO:1902903 GO:1902958 GO:1903073 GO:1903094 GO:1903122 GO:1903135 GO:1903136 GO:1903168 GO:1903178 GO:1903181 GO:1903190 GO:1903197 GO:1903200 GO:1903202 GO:1903204 GO:1903206 GO:1903208 GO:1903377 GO:1903384 GO:1903428 GO:1903599 GO:1990381 GO:1990422 GO:2000157 GO:2000277 GO:2000679 GO:2000825 GO:2001237 GO:2001268
100.060.4363.930.080.563fseB GO:0016798
110.060.4102.890.160.494k2hD GO:0000987 GO:0003700 GO:0005829 GO:0006355 GO:0006508 GO:0008233 GO:0019172 GO:0019243 GO:0046872
120.060.3726.350.070.644x6uA GO:0004806 GO:0016787 GO:0046872
130.060.3992.560.110.463f5dA GO:0006508 GO:0008233 GO:0016787
140.060.3586.200.060.631nqkA GO:0004497 GO:0008726 GO:0009408 GO:0016491 GO:0016705 GO:0042802 GO:0046306 GO:0055114
150.060.3863.440.100.483efeB GO:0006541 GO:0016740
160.060.3672.750.140.431g2iA GO:0005737 GO:0006508 GO:0008233 GO:0016787 GO:0016798
170.060.3682.710.150.431oi4A GO:0005737 GO:0006979 GO:0009268 GO:0009408 GO:0009411 GO:0016787 GO:0016798 GO:0019172 GO:0019243 GO:0019249 GO:0042802
180.060.3632.870.120.433l18A GO:0006508 GO:0008233 GO:0016798


Consensus prediction of GO terms
 
Molecular Function GO:0001071 GO:0003677
GO-Score 0.46 0.46
Biological Processes GO:1903506 GO:0010468 GO:2000112
GO-Score 0.46 0.46 0.46
Cellular Component GO:0005634 GO:0005829 GO:0048471 GO:0042588 GO:0005789 GO:0005794 GO:0005743
GO-Score 0.13 0.13 0.07 0.07 0.07 0.07 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.