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I-TASSER results for job id Rv2818c

[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
10.08 4 2ppbN STD Rep, Mult 232,235,236,237,240,347
20.06 3 4a01B DMU Rep, Mult 229,230,233
30.06 3 3vvkE AZI Rep, Mult 218,219,222,236,240,347
40.04 2 3ozgA MG Rep, Mult 128,136
50.02 1 3cknA MN Rep, Mult 128,329
60.02 1 2zxqA MN Rep, Mult 317,320,342
70.02 1 3u7qB IMD Rep, Mult 7,10
80.02 1 4zbdA GSH Rep, Mult 218,235
90.02 1 1kprA III Rep, Mult 244,314
100.02 1 3j47V III Rep, Mult 241,245,248
110.02 1 2onk2 III Rep, Mult 213,214,216,217,218,219,220,221,222,223,242,246,247
120.02 1 3ibvA CA Rep, Mult 209,251
130.02 1 1dy0A ZN Rep, Mult 328,329
140.02 1 1xz1A HLT Rep, Mult 157,160,161
150.02 1 1sl0A MG Rep, Mult 45,118
160.02 1 4f8hD LMD Rep, Mult 243,247
170.02 1 3a6pA III Rep, Mult 218,241,249
180.02 1 3kllA MAL Rep, Mult 164,167,168,169

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
10.0603b9jJ0.1976.800.0110.3351.17.1.4,1.17.3.2248
20.0601fo4A0.3757.100.0580.6441.17.1.4NA
30.0603eqlM0.3686.890.0540.6152.7.7.6235
40.0601ug9A0.3866.960.0510.6573.2.1.70NA
50.0602q1fA0.4216.710.0340.6834.2.2.2170
60.0603b9jI0.1704.910.0230.2331.17.1.4,1.17.3.2212,238
70.0602hg4C0.3726.980.0560.6282.3.1.94303,309,313,322
80.0602x0sA0.3616.900.0650.6072.7.9.1NA
90.0602o7qA0.3757.370.0460.6674.2.1.10,1.1.1.25NA
100.0603b9jC0.2606.490.0400.4111.17.3.2,1.17.1.4NA
110.0603hz3A0.4156.360.0490.6622.4.1.5NA
120.0601gytA0.3307.030.0550.5553.4.11.1NA
130.0601gytJ0.3376.760.0460.5503.4.11.1216
140.0603fwmA0.3267.100.0350.5652.4.1.129,NA
150.0602zxqA0.3877.370.0370.6943.2.1.977
160.0603fwlA0.3716.920.0560.6232.4.1.129NA
170.0601kc7A0.3826.550.0340.6282.7.9.1NA
180.0603eqlD0.3576.420.0410.5682.7.7.6NA
190.0601ynnD0.2827.100.0200.4822.7.7.6316

(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
00.070.4066.900.060.683jcpN GO:0000502 GO:0004175 GO:0005634 GO:0006511 GO:0008540 GO:0030234 GO:0030674 GO:0034515 GO:0042176 GO:0043161 GO:0043248 GO:0050790
10.060.4326.580.050.705a5bZ GO:0000502 GO:0004175 GO:0005634 GO:0006511 GO:0008540 GO:0030234 GO:0030674 GO:0034515 GO:0042176 GO:0043161 GO:0050790
20.060.2177.010.050.372zooA GO:0005507 GO:0006807 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0050421 GO:0055114
30.060.2356.490.050.373dhuA GO:0003824 GO:0004556 GO:0005975 GO:0008152 GO:0016787 GO:0016798
40.060.2326.830.030.382qa1A GO:0000166 GO:0016491 GO:0055114 GO:0071949
50.060.2727.350.010.494aieA GO:0003824 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0043896 GO:0046872
60.060.2614.870.060.352vq2A
70.060.2456.830.020.402nzwC GO:0006486 GO:0008417 GO:0016020 GO:0016740 GO:0016757 GO:0036065
80.060.2407.170.040.423l7jB GO:0016020 GO:0047355
90.060.2607.030.040.443ueqA GO:0003824 GO:0005576 GO:0005975 GO:0016740 GO:0016757 GO:0047669
100.060.2556.590.040.411rqgA GO:0000049 GO:0000166 GO:0003723 GO:0004812 GO:0004825 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006431 GO:0016874 GO:0046872
110.060.2276.670.030.374cbhD GO:0000166 GO:0001172 GO:0003723 GO:0003968 GO:0004175 GO:0004197 GO:0004252 GO:0004386 GO:0005216 GO:0005524 GO:0006508 GO:0006810 GO:0006811 GO:0008026 GO:0008233 GO:0008234 GO:0008236 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0016817 GO:0017111 GO:0019012 GO:0019062 GO:0019079 GO:0019082 GO:0030430 GO:0030683 GO:0033644 GO:0033897 GO:0034220 GO:0039503 GO:0039520 GO:0039548 GO:0039654 GO:0039663 GO:0039694 GO:0039707 GO:0042025 GO:0044228 GO:0044385 GO:0046718 GO:0051259 GO:0055036 GO:0070008 GO:0090502 GO:1903608 GO:1990219
120.060.2506.260.090.401c0gA GO:0000166 GO:0000281 GO:0000902 GO:0001891 GO:0005200 GO:0005524 GO:0005737 GO:0005856 GO:0005884 GO:0006897 GO:0006909 GO:0006935 GO:0006972 GO:0015629 GO:0016192 GO:0017022 GO:0030864 GO:0031143 GO:0031252 GO:0032009 GO:0032010 GO:0042331 GO:0044291 GO:0044351 GO:0045335 GO:0060187
130.060.2376.700.050.394cbhA GO:0000166 GO:0001172 GO:0003723 GO:0003968 GO:0004175 GO:0004197 GO:0004252 GO:0004386 GO:0005216 GO:0005524 GO:0006508 GO:0006810 GO:0006811 GO:0008026 GO:0008233 GO:0008234 GO:0008236 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0016817 GO:0017111 GO:0019012 GO:0019062 GO:0019079 GO:0019082 GO:0030430 GO:0030683 GO:0033644 GO:0033897 GO:0034220 GO:0039503 GO:0039520 GO:0039548 GO:0039654 GO:0039663 GO:0039694 GO:0039707 GO:0042025 GO:0044228 GO:0044385 GO:0046718 GO:0051259 GO:0055036 GO:0070008 GO:0090502 GO:1903608 GO:1990219
140.060.2316.670.060.383ejwA GO:0043190
150.060.2366.670.020.385dzvB GO:0005509 GO:0005886 GO:0007155 GO:0007156 GO:0016020 GO:0016021
160.060.2366.640.030.384uorA GO:0003824 GO:0008152 GO:0008484 GO:0016020 GO:0016021 GO:0046872
170.060.2546.750.040.424gklA GO:0003824 GO:0005975
180.060.2276.690.040.371gqeA GO:0003747 GO:0005737 GO:0005829 GO:0006412 GO:0006415 GO:0016149 GO:0043022


Consensus prediction of GO terms
 
Molecular Function GO:0030234 GO:0030674 GO:0004175 GO:0020037 GO:0009055 GO:0050421 GO:0071949 GO:0004556 GO:0005507
GO-Score 0.13 0.13 0.13 0.06 0.06 0.06 0.06 0.06 0.06
Biological Processes GO:0042176 GO:0050790 GO:0043161 GO:0055114 GO:0043248 GO:0006807 GO:0005975
GO-Score 0.13 0.13 0.13 0.12 0.07 0.06 0.06
Cellular Component GO:0008540 GO:0034515 GO:0005634
GO-Score 0.13 0.13 0.13

(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.