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I-TASSER results for job id Rv1775

[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
10.29 3 3hwpA ZN Rep, Mult 114,145,251,254
20.10 2 3gb4A FES Rep, Mult 107,110,111,113,144,146
30.10 2 3negA PYV Rep, Mult 114,143,151,154,156,247,251,252
40.05 1 2zylA FES Rep, Mult 162,164,165,166,177,193
50.05 1 3gtsA FE Rep, Mult 105,110,255,258
60.05 1 3gkeA FES Rep, Mult 77,79,208,210,248

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
10.0602zt5A0.3815.900.0660.6216.1.1.14NA
20.0603cmqA0.3875.180.0150.5666.1.1.20NA
30.0602d1cA0.3916.200.0290.6731.1.1.42NA
40.0601w66A0.4144.640.0540.5772.3.1.181207
50.0601rp5A0.3795.520.0270.5883.4.-.-NA
60.0602artA0.4204.340.0880.5662.7.7.63NA
70.0601vi1A0.3945.950.0640.6512.3.1.-207
80.0602cghB0.4214.700.0500.5816.3.4.15NA
90.0601bw0B0.3936.200.0530.6842.6.1.587
100.0601ndoA0.4474.710.0360.6291.14.12.1296,180
110.0601eg9A0.4484.610.0400.6251.14.12.12NA
120.0602vq5A0.4263.890.0490.5444.2.1.78138,158
130.0601bibA0.4154.430.0320.5516.3.4.15NA
140.06011asA0.3875.580.0450.6106.3.1.1157
150.0602ewnA0.4504.300.0350.5926.3.4.15NA
160.0601wnlA0.4274.290.0540.5666.3.4.15NA
170.0601h16A0.3567.000.0550.6732.3.1.54NA
180.0601qxoC0.3836.070.0630.6434.2.3.5259
190.0603ihjA0.3806.350.0510.6652.6.1.2171

(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
00.360.9191.720.290.993hwpA GO:0016787 GO:0046872
10.070.4603.710.060.573w9rA GO:0004864 GO:0004872 GO:0005634 GO:0005737 GO:0005886 GO:0009738 GO:0010427 GO:0016020 GO:0042803 GO:0043086 GO:0080163
20.070.4523.760.080.574oicA GO:0004864 GO:0004872 GO:0005634 GO:0005737 GO:0009738 GO:0010427 GO:0043086 GO:0080163
30.070.4643.860.080.593kdhA GO:0004864 GO:0004872 GO:0005634 GO:0005737 GO:0005886 GO:0009738 GO:0010427 GO:0016020 GO:0042803 GO:0043086 GO:0080163
40.070.4633.990.090.593nefA GO:0004864 GO:0004872 GO:0005634 GO:0005737 GO:0005886 GO:0009738 GO:0010427 GO:0016020 GO:0042803 GO:0043086 GO:0080163
50.070.4623.970.070.593k3kA GO:0004864 GO:0004872 GO:0005634 GO:0005737 GO:0005886 GO:0009738 GO:0010427 GO:0016020 GO:0042802 GO:0042803 GO:0043086 GO:0080163
60.070.4643.940.070.583ojiB GO:0004864 GO:0004872 GO:0005634 GO:0005737 GO:0005886 GO:0009738 GO:0010427 GO:0016020 GO:0042803 GO:0043086 GO:0080163
70.070.5044.260.050.662e3mA GO:0000902 GO:0001701 GO:0003007 GO:0004672 GO:0005654 GO:0005737 GO:0005739 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006468 GO:0006672 GO:0006810 GO:0006869 GO:0006936 GO:0006955 GO:0007029 GO:0007165 GO:0008283 GO:0008289 GO:0016301 GO:0016310 GO:0030148 GO:0034976 GO:0035620 GO:0035621 GO:0048471 GO:0055088 GO:0070273 GO:0070584 GO:0097001
80.070.4913.060.060.583qszB GO:0008289
90.070.4943.880.060.622mouA GO:0006810 GO:0006869 GO:0008289
100.070.4953.830.040.621em2A GO:0005737 GO:0005739 GO:0005765 GO:0005768 GO:0006629 GO:0006694 GO:0006701 GO:0006810 GO:0006839 GO:0006869 GO:0008202 GO:0008203 GO:0008289 GO:0015485 GO:0016020 GO:0016021 GO:0031902
110.070.4814.420.090.643fo5A GO:0005737 GO:0005829 GO:0006631 GO:0008289 GO:0009266 GO:0009409 GO:0016787 GO:0035338 GO:0035556 GO:0047617 GO:0052689 GO:0070062
120.070.4823.680.050.605brlA GO:0005739 GO:0005783 GO:0005829 GO:0006810 GO:0006869 GO:0008289 GO:0015485 GO:0016023 GO:0034435
130.070.4783.920.090.611ln1A GO:0005737 GO:0005829 GO:0006810 GO:0006869 GO:0008289 GO:0008525 GO:0015914 GO:0031210
140.070.4894.230.040.642r55A GO:0005829 GO:0006700 GO:0006810 GO:0006869 GO:0008289 GO:0032052
150.070.4653.680.090.582psoB GO:0005096 GO:0005737 GO:0005739 GO:0005811 GO:0005829 GO:0007165 GO:0008289 GO:0016020 GO:0031966 GO:0043542 GO:0043547 GO:0051056 GO:0090051 GO:0097498
160.070.4853.500.050.593p0lA GO:0005739 GO:0005758 GO:0005829 GO:0006082 GO:0006694 GO:0006699 GO:0006700 GO:0006701 GO:0006703 GO:0006810 GO:0006869 GO:0007420 GO:0007584 GO:0007623 GO:0008203 GO:0008211 GO:0008289 GO:0008584 GO:0009635 GO:0009636 GO:0010033 GO:0010212 GO:0010288 GO:0010628 GO:0014070 GO:0014823 GO:0015485 GO:0016101 GO:0017085 GO:0017127 GO:0017143 GO:0018879 GO:0018894 GO:0018958 GO:0018963 GO:0030061 GO:0031667 GO:0032367 GO:0032869 GO:0034698 GO:0035094 GO:0035457 GO:0042493 GO:0042542 GO:0042747 GO:0043005 GO:0043025 GO:0043434 GO:0043524 GO:0043627 GO:0044255 GO:0044321 GO:0044344 GO:0045471 GO:0046677 GO:0048168 GO:0048545 GO:0050769 GO:0050810 GO:0051412 GO:0060992 GO:0061370 GO:0071222 GO:0071236 GO:0071248 GO:0071276 GO:0071312 GO:0071320 GO:0071333 GO:0071346 GO:0071371 GO:0071372 GO:0071373 GO:0071378 GO:0071407 GO:0071549 GO:0071560 GO:0071872
170.060.3215.710.040.533frkA GO:0003824
180.060.3166.000.030.544n4nA GO:0016491 GO:0019331 GO:0042597 GO:0046872 GO:0047991 GO:0055114
190.060.3055.810.050.493eueA GO:0003824 GO:0004850 GO:0005737 GO:0005829 GO:0006139 GO:0006218 GO:0006220 GO:0009116 GO:0009166 GO:0016740 GO:0016757 GO:0016763 GO:0042149 GO:0043097 GO:0044206 GO:0046108 GO:0046135
200.060.3076.680.050.572x3lB GO:0003824
210.060.2596.470.050.472kx9A GO:0000287 GO:0003824 GO:0005737 GO:0005829 GO:0006810 GO:0008643 GO:0008965 GO:0009401 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0019197 GO:0046872
220.060.2835.840.070.451yc0A GO:0004252 GO:0005576 GO:0005615 GO:0006508 GO:0008233 GO:0008236 GO:0016787
230.060.2796.430.030.503tovA GO:0008152 GO:0016740 GO:0016757
240.060.2185.340.070.334qusB GO:0004596 GO:0006474 GO:0008080 GO:0016740 GO:0016746 GO:0016747 GO:0031248


Consensus prediction of GO terms
 
Molecular Function GO:0033293 GO:0019888 GO:0042562 GO:0060089 GO:0019212 GO:0042802 GO:0046983 GO:0046872 GO:0016787
GO-Score 0.49 0.49 0.49 0.49 0.49 0.38 0.38 0.36 0.36
Biological Processes GO:0009755 GO:0071215 GO:0044092 GO:0043666
GO-Score 0.49 0.49 0.49 0.49
Cellular Component GO:0043231 GO:0071944
GO-Score 0.49 0.38

(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.