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I-TASSER results for job id Rv3268

[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
10.20 13 1pg3B COA Rep, Mult 80,81,82,183,187,189,210
20.08 5 4l6v6 CLA Rep, Mult 25,29
30.03 2 3rg2H SVS Rep, Mult 188,189,193
40.03 2 1t5dX 174 Rep, Mult 142,144,145,149,150
50.03 2 3rixA 923 Rep, Mult 32,59,61,69,115,116,117
60.03 2 3r44A HIS Rep, Mult 158,161
70.01 1 4kp4A MG Rep, Mult 38,41
80.01 1 2wd9A IBP Rep, Mult 77,78,152,153,154
90.01 1 4dg8A BU3 Rep, Mult 183,184,229
100.01 1 1swiC BNZ Rep, Mult 29,33
110.01 1 4ogqE 1O2 Rep, Mult 29,33,36,37,44
120.01 1 3cw9A AMP Rep, Mult 143
130.01 1 5c5hB MG Rep, Mult 57,58,184
140.01 1 2qvzX 3BZ Rep, Mult 166,191,192,193
150.01 1 1zs4B NUC Rep, Mult 32,35
160.01 1 2wd9C IBP Rep, Mult 60,62,63,207,209

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
10.1073ivrA0.8711.930.2050.9566.2.1.317,24
20.0601ba3A0.8652.100.0860.9691.13.12.7NA
30.0601kolB0.4764.260.0720.6811.2.1.4680
40.0601amuA0.8731.710.1300.9435.1.1.11NA
50.0602dphA0.4794.040.0780.6771.2.99.4NA
60.0603l8cB0.8702.030.1130.9656.1.1.1361
70.0602d1rA0.8612.190.1070.9781.13.12.7NA
80.0602vk1A0.4704.960.0500.7124.1.1.1NA
90.0602vjyA0.4735.100.0600.7294.1.1.1NA
100.0603iplA0.8431.870.0980.9176.2.1.26182
110.0601ry2A0.9071.960.1270.9966.2.1.176
120.0602djiA0.4685.180.0440.7601.2.3.376
130.0602ji6A0.4745.260.0630.7734.1.1.8NA
140.0603etcB0.8812.190.1060.9876.2.1.-NA
150.0601jqkF0.4645.790.0460.7991.2.99.2196,198
160.0603fccA0.8582.000.0960.9526.1.1.13NA
170.0602dfvA0.4674.350.0820.6721.1.1.103NA
180.0601ozgA0.4675.210.0830.7602.2.1.6NA
190.0602v7bA0.8641.820.1110.9436.2.1.25NA
200.0602ihvA0.4655.460.0670.7472.5.1.66NA

(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
00.220.8942.090.090.993g7sA GO:0003824 GO:0008152 GO:0016874
10.220.9071.960.131.001ry2A GO:0000166 GO:0003824 GO:0003987 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005783 GO:0005829 GO:0006085 GO:0008152 GO:0016208 GO:0016573 GO:0016874 GO:0016880 GO:0019427 GO:0019654 GO:0043231
20.220.8942.100.171.002p20A GO:0000166 GO:0003824 GO:0003987 GO:0005524 GO:0006935 GO:0008152 GO:0016208 GO:0016874 GO:0019427 GO:0046872
30.210.8851.780.120.974eatB GO:0003824 GO:0005524 GO:0008152 GO:0016405 GO:0016874
40.210.8921.760.120.974d56A GO:0003824 GO:0008152
50.210.8812.070.140.983dlpX GO:0000166 GO:0003824 GO:0008152 GO:0016020 GO:0016021 GO:0016874 GO:0046872
60.210.8941.720.170.962vsqA GO:0003824 GO:0008152 GO:0009058 GO:0016788 GO:0016874 GO:0017000 GO:0030435 GO:0031177
70.210.8911.930.150.985bsmA GO:0000166 GO:0003824 GO:0005524 GO:0008152 GO:0009698 GO:0016207 GO:0016874
80.210.8972.000.130.993b7wA GO:0000166 GO:0003824 GO:0005524 GO:0005739 GO:0005759 GO:0006629 GO:0006631 GO:0008152 GO:0016874 GO:0036112 GO:0042593 GO:0046872 GO:0047760 GO:0070328
90.210.8601.820.160.933wv5B GO:0003824 GO:0008152
100.210.8802.090.180.985ifiA GO:0000166 GO:0003824 GO:0003987 GO:0005524 GO:0008152 GO:0016208 GO:0016874 GO:0019427
110.210.8711.930.200.963ivrA GO:0001676 GO:0003824 GO:0004467 GO:0008152 GO:0016874 GO:0102391
120.210.8802.130.130.983tsyA GO:0000166 GO:0003824 GO:0005524 GO:0005737 GO:0008152 GO:0009058 GO:0009698 GO:0016207 GO:0016740 GO:0016746 GO:0016747 GO:0016874
130.210.8582.000.100.953fccA GO:0000166 GO:0003824 GO:0005524 GO:0005737 GO:0008152 GO:0016874 GO:0016876 GO:0047473 GO:0070395
140.210.8851.910.160.975es8B GO:0003824 GO:0008152 GO:0009058 GO:0016742 GO:0016874 GO:0017000 GO:0031177
150.210.8662.130.160.973rg2C GO:0000166 GO:0003824 GO:0005524 GO:0005829 GO:0008152 GO:0008668 GO:0008908 GO:0009239 GO:0016020 GO:0016740 GO:0016746 GO:0016787 GO:0016874 GO:0019290 GO:0047527
160.210.8802.210.110.994r0mA GO:0003824 GO:0008152 GO:0016740 GO:0031177
170.210.8522.100.120.954dg9A GO:0000166 GO:0003824 GO:0008152
180.210.8761.930.180.964zxjA GO:0000166 GO:0003824 GO:0005524 GO:0005829 GO:0005886 GO:0008152 GO:0009058 GO:0009239 GO:0009366 GO:0016740 GO:0016779 GO:0016788 GO:0016874 GO:0031177 GO:0043041 GO:0047527
190.200.8802.160.180.991ultA GO:0000166 GO:0001676 GO:0003824 GO:0004467 GO:0005524 GO:0006629 GO:0006631 GO:0008152 GO:0016874 GO:0046872 GO:0102391
200.200.8672.070.170.971md9A GO:0000166 GO:0003824 GO:0005524 GO:0005737 GO:0008152 GO:0008668 GO:0016874 GO:0019290
210.100.8671.820.160.943wv4A GO:0003824 GO:0008152
220.090.8342.300.130.944lgcA GO:0003824 GO:0006629 GO:0008152 GO:0008202 GO:0016042 GO:0016874 GO:0030573
230.080.8492.060.160.934gr4C GO:0003824 GO:0008152 GO:0008168 GO:0016874 GO:0032259 GO:0055114
240.080.8262.110.170.923nyqA GO:0000166 GO:0003824 GO:0008152
250.080.8441.970.100.934pzpA GO:0000166 GO:0003824 GO:0005524 GO:0005737 GO:0008152 GO:0016874 GO:0016876 GO:0047473 GO:0070395
260.080.8712.200.130.973iteB GO:0003824 GO:0008152 GO:0031177
270.080.8581.830.140.934gxqA GO:0000166 GO:0003824 GO:0005524 GO:0008152 GO:0016020 GO:0016021 GO:0016405 GO:0016874 GO:0018858
280.080.8781.980.130.975busA GO:0000166 GO:0003824 GO:0005524 GO:0008152 GO:0008756 GO:0009234 GO:0016874
290.070.8751.980.130.974fuqC GO:0000166 GO:0003824 GO:0005524 GO:0008152 GO:0016874
300.070.8641.820.110.942v7bA GO:0003824 GO:0005524 GO:0008152 GO:0016020 GO:0016021 GO:0016405 GO:0016874 GO:0018858
310.070.8332.440.150.953t5aA GO:0000166 GO:0003824 GO:0004321 GO:0005524 GO:0005886 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0008610 GO:0016874 GO:0044119 GO:0052170 GO:0052572 GO:0070566 GO:0071770
320.070.8702.030.110.973l8cB GO:0000166 GO:0003824 GO:0005524 GO:0005737 GO:0008152 GO:0016874 GO:0016876 GO:0047473 GO:0070395
330.070.8431.870.100.923iplA GO:0000166 GO:0003824 GO:0005524 GO:0008152 GO:0008756 GO:0009234 GO:0016874
340.070.8881.690.120.963r44A GO:0000166 GO:0001101 GO:0001676 GO:0003824 GO:0004321 GO:0004467 GO:0005524 GO:0005618 GO:0005829 GO:0005886 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0016020 GO:0016874 GO:0044119 GO:0102391
350.070.8921.690.140.974wv3B GO:0003824 GO:0005524 GO:0008152 GO:0016405 GO:0016874
360.070.8731.710.130.941amuA GO:0000166 GO:0003824 GO:0005524 GO:0008152 GO:0016853 GO:0016874 GO:0017000 GO:0047462
370.070.8812.190.110.993etcB GO:0003824 GO:0008152
380.070.8232.000.120.915c5hB GO:0000166 GO:0003824 GO:0005524 GO:0008152 GO:0008756 GO:0009234 GO:0016874
390.070.8652.310.120.983a9vA GO:0000166 GO:0003824 GO:0008152 GO:0016874
400.070.8352.360.120.944dg8A GO:0000166 GO:0003824 GO:0008152
410.070.8601.930.110.955e7qA GO:0003824 GO:0008152
420.070.8642.100.100.963e7wA GO:0000166 GO:0003824 GO:0005524 GO:0005737 GO:0008152 GO:0016874 GO:0016876 GO:0047473 GO:0070395
430.070.8612.200.110.982d1sA GO:0000166 GO:0003824 GO:0004497 GO:0005524 GO:0005777 GO:0008152 GO:0008218 GO:0016491 GO:0046872 GO:0047077 GO:0055114
440.070.8742.230.120.983kxwA GO:0003824 GO:0008152
450.070.8312.380.130.954oxiA GO:0003824 GO:0008152
460.070.8542.710.160.993pbkA GO:0003824 GO:0008152
470.070.8362.410.120.944ir7A GO:0003824 GO:0008152 GO:0016874
480.070.8552.450.140.985d6jA GO:0003824 GO:0008152 GO:0016874


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0016879 GO:0043169 GO:0016208 GO:0003987
GO-Score 0.52 0.44 0.44 0.39 0.39
Biological Processes GO:0018393 GO:0006113 GO:0016570 GO:0042330 GO:0042221 GO:0019427
GO-Score 0.44 0.44 0.44 0.44 0.44 0.39
Cellular Component GO:0043231 GO:0012505 GO:0044444
GO-Score 0.44 0.44 0.44

(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.