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I-TASSER results for job id Rv3626c

[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 7 1zkxB ZN Rep, Mult 163,167,251
20.08 4 2p9xD ZN Rep, Mult 251,255
30.02 1 1xvbB BBX Rep, Mult 173,176,266
40.02 1 5ezmA MPG Rep, Mult 249,252
50.02 1 2bkoA CA Rep, Mult 257,260
60.02 1 1w5cB CLA Rep, Mult 239,246
70.02 1 3fuhA 5H1 Rep, Mult 78,81,116,122,125,126
80.02 1 2ofwA ADX Rep, Mult 141,142
90.02 1 2yptE III Rep, Mult 120,121,160,163,167,251,304
100.02 1 1jgtB MG Rep, Mult 14,125
110.02 1 1rrvA BGC Rep, Mult 14,131,132
120.02 1 3kziX CLA Rep, Mult 244,247
130.02 1 3fu3A IMD Rep, Mult 306,307,310,339
140.02 1 1y66B DIO Rep, Mult 250,253,257
150.02 1 3dsuA FPP Rep, Mult 124,156
160.02 1 2dysN DCW Rep, Mult 249,334

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
10.0602np0A0.3776.410.0530.6063.4.24.6923
20.0601nekA0.3907.170.0480.6971.3.99.1,NA
30.0601dmtA0.4395.580.0170.6463.4.24.11164
40.0603b8eC0.3836.230.0410.6143.6.3.9117,166,247
50.0603dwcB0.4385.150.0950.6093.4.17.19252
60.0601bqbA0.4274.450.0660.5543.4.21.19,3.4.24.29164
70.0601r1jA0.4305.740.0410.6433.4.24.11167,249,251
80.0602o36A0.4365.530.0660.6203.4.24.15167,296,298
90.0601h19A0.4635.060.0800.6313.3.2.6NA
100.0601i1iP0.4465.420.0570.6313.4.24.16NA
110.0601gw6A0.4635.240.0790.6373.3.2.6164
120.0603ebgA0.4774.900.1060.6343.4.11.-164
130.0601s4bP0.4385.320.0460.6113.4.24.15NA
140.0602rnpC0.3097.780.0170.6112.7.7.6NA
150.0601jqoA0.3996.110.0510.6344.1.1.31275
160.0601espA0.4174.770.0390.5573.4.24.28NA
170.0601aroP0.3846.640.0610.6402.7.7.6NA
180.0603b8eA0.4116.620.0310.6803.6.3.9NA
190.0603bkkA0.4675.210.0590.6573.4.15.1NA

(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
00.070.4735.060.100.644qpeA GO:0004177 GO:0006508 GO:0008237 GO:0008270 GO:0016787 GO:0046872
10.070.4675.100.070.643ciaA GO:0004177 GO:0006508 GO:0008237 GO:0008270 GO:0016787 GO:0046872
20.070.4704.930.060.653ahmA GO:0006508 GO:0008233 GO:0008237 GO:0016787 GO:0046872
30.070.4785.140.050.674ka7A GO:0004222 GO:0005739 GO:0005759 GO:0005829 GO:0006508 GO:0006518 GO:0008233 GO:0008237 GO:0009507 GO:0009536 GO:0009570 GO:0016787 GO:0046872
40.070.4715.170.080.654wz9B GO:0005737 GO:0005886 GO:0006508 GO:0008237 GO:0008270 GO:0042277 GO:0043171 GO:0070006
50.070.4615.200.070.644fkeA GO:0001525 GO:0001618 GO:0004177 GO:0005737 GO:0005886 GO:0006508 GO:0007275 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016032 GO:0016787 GO:0030154 GO:0042277 GO:0043171 GO:0046718 GO:0046872 GO:0070006
60.070.4635.190.090.645c97A GO:0000209 GO:0002480 GO:0004177 GO:0005576 GO:0005622 GO:0005765 GO:0005829 GO:0005886 GO:0005887 GO:0006508 GO:0007165 GO:0007267 GO:0007565 GO:0008217 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0030163 GO:0030659 GO:0031905 GO:0042277 GO:0043171 GO:0046872 GO:0048471 GO:0060395 GO:0061024 GO:0070006
70.070.4645.000.100.633q7jA GO:0004177 GO:0005737 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0046872
80.070.4725.230.080.645ab0C GO:0002250 GO:0002376 GO:0002474 GO:0004175 GO:0004177 GO:0005783 GO:0005788 GO:0005789 GO:0005886 GO:0006508 GO:0008217 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0019885 GO:0042277 GO:0043171 GO:0046872 GO:0070006
90.070.4714.990.080.635ab0A GO:0002250 GO:0002376 GO:0002474 GO:0004175 GO:0004177 GO:0005783 GO:0005788 GO:0005789 GO:0005886 GO:0006508 GO:0008217 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0019885 GO:0042277 GO:0043171 GO:0046872 GO:0070006
100.070.4675.020.070.634kx7A GO:0001525 GO:0002003 GO:0002005 GO:0003081 GO:0004177 GO:0005765 GO:0005886 GO:0005887 GO:0005903 GO:0006508 GO:0007267 GO:0008233 GO:0008237 GO:0008270 GO:0008283 GO:0009897 GO:0016020 GO:0016021 GO:0016324 GO:0016477 GO:0016787 GO:0031410 GO:0032835 GO:0042277 GO:0043171 GO:0045177 GO:0046872 GO:0070006 GO:0070062
110.070.4705.100.090.644fyrA GO:0001525 GO:0001618 GO:0004177 GO:0004872 GO:0005615 GO:0005737 GO:0005765 GO:0005793 GO:0005829 GO:0005886 GO:0005887 GO:0006508 GO:0006725 GO:0007275 GO:0008233 GO:0008237 GO:0008270 GO:0009897 GO:0012506 GO:0016020 GO:0016021 GO:0016032 GO:0016787 GO:0030154 GO:0031983 GO:0035814 GO:0042277 GO:0043171 GO:0046718 GO:0046872 GO:0070006 GO:0070062
120.070.4705.200.070.654xo4A GO:0004177 GO:0005737 GO:0005886 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016787 GO:0042277 GO:0042802 GO:0043171 GO:0046872 GO:0070006
130.070.4774.900.110.633ebgA GO:0004177 GO:0005737 GO:0005829 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0046872
140.070.4604.990.100.633u24A GO:0046872
150.070.4714.910.080.632yd0A GO:0001525 GO:0002250 GO:0002376 GO:0002474 GO:0004175 GO:0004177 GO:0005138 GO:0005151 GO:0005164 GO:0005576 GO:0005615 GO:0005737 GO:0005783 GO:0005788 GO:0005789 GO:0005829 GO:0005886 GO:0006508 GO:0006509 GO:0008217 GO:0008233 GO:0008235 GO:0008237 GO:0008270 GO:0009617 GO:0016020 GO:0016021 GO:0016787 GO:0019885 GO:0042277 GO:0043171 GO:0043231 GO:0045088 GO:0045444 GO:0045766 GO:0046872 GO:0070006 GO:0070062
160.070.4635.240.080.643b7rL GO:0004177 GO:0004301 GO:0004463 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0006508 GO:0006691 GO:0008233 GO:0008237 GO:0008270 GO:0010043 GO:0016787 GO:0019370 GO:0042277 GO:0043171 GO:0043434 GO:0044822 GO:0046872 GO:0060509 GO:0070006 GO:0070062
170.070.4625.230.110.635dllA GO:0004177 GO:0006508 GO:0008237 GO:0008270 GO:0016787
180.070.4465.420.060.631i1iP GO:0004222 GO:0005737 GO:0005739 GO:0005758 GO:0005829 GO:0006508 GO:0006518 GO:0008233 GO:0008237 GO:0016787 GO:0046872 GO:0070012


Consensus prediction of GO terms
 
Molecular Function GO:0070011 GO:0046914
GO-Score 0.57 0.37
Biological Processes GO:0019538
GO-Score 0.57
Cellular Component GO:0009570 GO:0005759 GO:0005886 GO:0005829
GO-Score 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.