[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv3195

[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 5 1mkdC MG Rep, Mult 214,254
20.08 4 4fgmA ZN Rep, Mult 253,257,339
30.04 2 3fymA ZN Rep, Mult 254,258
40.04 2 2y02A 2CV Rep, Mult 360,365
50.02 1 2voyH III Rep, Mult 246,249
60.02 1 5ezmA MPG Rep, Mult 337,340
70.02 1 3ak1B EDO Rep, Mult 327,330
80.02 1 2yazA UMP Rep, Mult 398,414
90.02 1 2bkoA CA Rep, Mult 345,348
100.02 1 3fu3A IMD Rep, Mult 327,328,333,336,385,388
110.02 1 2dysN DCW Rep, Mult 337,421
120.02 1 3nteA FE Rep, Mult 355,362
130.02 1 3fueA 11S Rep, Mult 398,421,426,430
140.02 1 1h19A IMD Rep, Mult 120,123,124,127,257
150.02 1 3zprB 2CV Rep, Mult 346,350,360,365
160.02 1 1gw6A IMD Rep, Mult 217,218,375,378,379,382
170.02 1 1hs6A IMD Rep, Mult 117,248,251,255

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
10.0602ckjA0.3367.100.0340.5401.17.1.4,1.17.3.2NA
20.0601y7910.3996.110.0460.5613.4.15.5NA
30.0601dgjA0.3577.430.0580.5981.2.-.-NA
40.0603ebgA0.4005.970.0580.5493.4.11.-254
50.0601bxrA0.3527.390.0380.5896.3.5.5NA
60.0602jgdA0.3436.890.0450.5381.2.4.2NA
70.0601z8lA0.3577.010.0420.5783.4.17.21NA
80.0601i1iP0.3546.640.0350.5383.4.24.16NA
90.0601fo4A0.3387.450.0440.5681.17.1.4NA
100.0601z1wA0.3925.340.0600.5153.4.11.-254
110.0601wgzA0.3765.320.0580.5113.4.24.66339
120.0603dwbA0.3756.050.0370.5403.4.24.71NA
130.0601qo9A0.3506.970.0600.5573.1.1.7NA
140.0603fedA0.3587.080.0530.5873.4.17.21NA
150.0603b9jJ0.2556.350.0700.3881.17.1.4,1.17.3.2231,251
160.0601t3tA0.3477.690.0630.5896.3.5.3NA
170.0603en9A0.3436.620.0280.5083.4.24.57NA
180.0602h1nA0.3905.790.0420.5403.4.24.-255
190.0602e1qA0.3246.920.0300.5111.17.3.2,1.17.1.4NA

(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
00.060.4005.810.110.554wz9B GO:0005737 GO:0005886 GO:0006508 GO:0008237 GO:0008270 GO:0042277 GO:0043171 GO:0070006
10.060.3935.440.060.523q7jA GO:0004177 GO:0005737 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0046872
20.060.4005.970.060.553ebgA GO:0004177 GO:0005737 GO:0005829 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0046872
30.060.3935.540.070.532xpyA GO:0004177 GO:0004301 GO:0004463 GO:0005634 GO:0005737 GO:0005886 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0030163 GO:0042277 GO:0043171 GO:0044255 GO:0046872 GO:0070006
40.060.3996.110.050.561y791 GO:0004180 GO:0004222 GO:0005737 GO:0005829 GO:0006508 GO:0006518 GO:0008233 GO:0008237 GO:0016787 GO:0030288 GO:0046872
50.060.3935.590.070.535c97A 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
60.060.3985.660.040.553ahmA GO:0006508 GO:0008233 GO:0008237 GO:0016787 GO:0046872
70.060.3975.620.070.544xo4A 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
80.060.3167.310.030.514fkeA 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
90.060.3277.220.050.534fyrA 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
100.060.3106.690.040.494qpeA GO:0004177 GO:0006508 GO:0008237 GO:0008270 GO:0016787 GO:0046872
110.060.3905.540.070.533b7rL 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
120.060.4025.900.060.555ab0A 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
130.060.3945.570.040.543sksA GO:0006508 GO:0008233 GO:0008237 GO:0016787 GO:0046872
140.060.3375.990.070.483ciaA GO:0004177 GO:0006508 GO:0008237 GO:0008270 GO:0016787 GO:0046872
150.060.3296.720.050.515dllA GO:0004177 GO:0006508 GO:0008237 GO:0008270 GO:0016787
160.060.3905.560.060.534gaaA GO:0004463 GO:0005737 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0019370 GO:0046872
170.060.3965.660.070.532yd0A 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
180.060.4015.480.100.543o0yA


Consensus prediction of GO terms
 
Molecular Function GO:0046914 GO:0008238
GO-Score 0.47 0.36
Biological Processes GO:0019538
GO-Score 0.57
Cellular Component GO:0044424
GO-Score 0.57

(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.