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I-TASSER results for job id Rv1140

[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
10.09 5 1v54B HEA Rep, Mult 86,200,203,204
20.06 3 3rkoL LFA Rep, Mult 193,196,197,262
30.04 2 2xkpA AKG Rep, Mult 198,201
40.04 2 2b2jA XE Rep, Mult 208,221,224
50.04 2 4fbyZ CLA Rep, Mult 272,273,277
60.04 2 2nwwC TB1 Rep, Mult 207,208,225,228,229,232
70.04 2 1sijA FES Rep, Mult 242,243,245,248,252,253,254
80.04 2 4ro2B GLY Rep, Mult 192,195
90.02 1 2xquB CVM Rep, Mult 256,259
100.02 1 2voyH III Rep, Mult 271,274
110.02 1 3a0bJ MGE Rep, Mult 203,204,206,207,211,212,213
120.02 1 1fbmD RTL Rep, Mult 187,194
130.02 1 5klgA 6UC Rep, Mult 89,92
140.02 1 3d1lB MPR Rep, Mult 110,145,146
150.02 1 4ub8h CLA Rep, Mult 81,84

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
10.0602cb1A0.3846.400.0290.6634.2.99.10204
20.0601gph10.3815.870.0090.6142.4.2.14169
30.0601u0uA0.3836.180.0580.6422.3.1.-NA
40.0601e5eA0.3806.590.0400.6704.4.1.11NA
50.0601kqfA0.3826.030.0660.6421.2.1.2NA
60.0602iukB0.3676.940.0440.6951.13.11.12NA
70.0601cs1A0.3796.390.0530.6562.5.1.48225
80.0602pywA0.4036.400.0600.6992.7.1.100NA
90.0602pnrF0.3586.030.0530.5962.7.11.2NA
100.0601vlbA0.3946.500.0650.6991.2.99.7NA
110.0603dwbA0.3846.670.0480.6703.4.24.71265
120.0602o2dB0.3766.310.0380.6355.3.1.9NA
130.0601q50A0.3226.340.0560.5505.3.1.9200
140.0601z1eA0.3836.200.0400.6422.3.1.95NA
150.0601a26A0.3965.540.0590.6062.4.2.30NA
160.0602c7tA0.3815.880.0260.6212.6.1.-118
170.0603crlB0.3976.160.0740.6702.7.11.2NA
180.0603d2rB0.3876.370.0670.6602.7.11.2201
190.0601cl2B0.3816.310.0240.6494.4.1.891,231

(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
00.220.6851.810.130.734cadI GO:0004175 GO:0004662 GO:0005886 GO:0005887 GO:0006508 GO:0008233 GO:0016020 GO:0016021 GO:0016787 GO:0071586
10.070.4705.620.070.744av3B GO:0000287 GO:0004427 GO:0005509 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006814 GO:0009678 GO:0015081 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0030955 GO:0035725 GO:0042803 GO:0046872
20.070.4046.440.060.714a01A GO:0004427 GO:0005773 GO:0005774 GO:0006810 GO:0006811 GO:0009678 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0046872 GO:0055085
30.060.4205.990.070.682yxrA GO:0005622 GO:0005886 GO:0006605 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0065002
40.060.4286.160.050.731d0nA GO:0003779 GO:0005509 GO:0005737 GO:0005856 GO:0030030 GO:0045010 GO:0046872 GO:0051014 GO:0051016 GO:0051693 GO:0060271
50.060.3266.270.050.552wwbA GO:0005783 GO:0005789 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0030176 GO:0045047
60.060.3816.230.060.633jc21 GO:0005783 GO:0005789 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0030176 GO:0045047
70.060.4246.100.070.714av6A GO:0000287 GO:0004427 GO:0005509 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006814 GO:0009678 GO:0015081 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0030955 GO:0035725 GO:0042803 GO:0046872
80.060.3305.790.060.523mp7A GO:0005622 GO:0005886 GO:0006605 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0065002
90.060.4325.770.060.672ww9A GO:0005048 GO:0005783 GO:0005789 GO:0006614 GO:0006810 GO:0008320 GO:0015031 GO:0016020 GO:0016021 GO:0071261 GO:0071806
100.060.3166.130.060.531de5A GO:0005737 GO:0008740 GO:0016853 GO:0019299 GO:0019301 GO:0019324 GO:0030145 GO:0042802 GO:0046872
110.060.3206.400.070.563bo0A GO:0005622 GO:0005886 GO:0006605 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0065002
120.060.2616.860.070.485bv7A GO:0004607 GO:0004623 GO:0005576 GO:0005615 GO:0006629 GO:0006644 GO:0006656 GO:0008202 GO:0008203 GO:0008374 GO:0016740 GO:0016746 GO:0030301 GO:0034186 GO:0034364 GO:0034372 GO:0034375 GO:0034435 GO:0042157 GO:0042158 GO:0042632 GO:0043691 GO:0046470 GO:0046688 GO:0051384 GO:0070062 GO:0090107
130.060.3024.940.040.435ahzA GO:0005216 GO:0005886 GO:0006810 GO:0006811 GO:0007602 GO:0009881 GO:0016020 GO:0016021 GO:0018298 GO:0034220 GO:0050896
140.060.2636.330.090.465ez7A GO:0016491 GO:0055114
150.060.2826.240.050.495a1kA GO:0001786 GO:0003779 GO:0005509 GO:0005545 GO:0005546 GO:0005737 GO:0005856 GO:0005903 GO:0005938 GO:0008285 GO:0017156 GO:0032330 GO:0042989 GO:0043065 GO:0045010 GO:0045654 GO:0051014 GO:0051015 GO:0051047 GO:0051127 GO:0051693 GO:0070062
160.060.2357.070.040.452fh4A GO:0001726 GO:0002102 GO:0003779 GO:0005509 GO:0005576 GO:0005615 GO:0005634 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005925 GO:0006911 GO:0006915 GO:0007568 GO:0008154 GO:0010628 GO:0014003 GO:0014891 GO:0015629 GO:0016192 GO:0016528 GO:0019904 GO:0022617 GO:0030027 GO:0030030 GO:0030041 GO:0030155 GO:0030478 GO:0030864 GO:0031648 GO:0042060 GO:0042246 GO:0042989 GO:0043209 GO:0043234 GO:0044267 GO:0045010 GO:0045159 GO:0045471 GO:0046597 GO:0046872 GO:0048015 GO:0048471 GO:0051014 GO:0051016 GO:0051127 GO:0051593 GO:0051693 GO:0060271 GO:0070062 GO:0071276 GO:0071801 GO:0072562 GO:0090527 GO:0097017 GO:0097284 GO:1902174 GO:1903689 GO:1903903 GO:1903906 GO:1903909 GO:1903923 GO:1990000 GO:2001269
170.060.2487.260.040.484rapE GO:0008152 GO:0016740 GO:0016757
180.060.2786.350.060.473l0mA GO:0000166 GO:0003824 GO:0005085 GO:0005524 GO:0005576 GO:0005622 GO:0006612 GO:0008152 GO:0008289 GO:0009405 GO:0016020 GO:0016740 GO:0016779 GO:0017137 GO:0018117 GO:0018260 GO:0033644 GO:0043087 GO:0043547 GO:0044161 GO:0044162 GO:0044600 GO:0070273 GO:0070733


Consensus prediction of GO terms
 
Molecular Function GO:0070011 GO:0004661 GO:0043169
GO-Score 0.44 0.44 0.37
Biological Processes GO:0016485 GO:0080120 GO:0051234
GO-Score 0.44 0.44 0.37
Cellular Component GO:0031226 GO:0016021
GO-Score 0.55 0.36

(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.