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I-TASSER results for job id Rv2742c

[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
10.06 5 3lggB CFE Rep, Mult 4,5,15,18,21,110,143
20.04 3 2eh3A MG Rep, Mult 33,36
30.04 3 2qvnA GMP Rep, Mult 5,6,81,143,145,232
40.04 3 2a8tA MN Rep, Mult 26,27
50.02 2 3ewdA MCF Rep, Mult 4,7,18,21
60.02 2 1krmA PRH Rep, Mult 2,143,166,265
70.02 2 3mduA NGQ Rep, Mult 169,227,230,231
80.02 2 1gc5A ADP Rep, Mult 259,260,263
90.02 2 1fz9C ETI Rep, Mult 40,41,44
100.01 1 1kcx0 III Rep, Mult 132,133,268
110.01 1 2pg8C OXY Rep, Mult 219,223
120.01 1 1k70A HPY Rep, Mult 140,143,167
130.01 1 2qs8A MG Rep, Mult 12,15,232
140.01 1 3rn6A IGA Rep, Mult 45,75,264,265,271
150.01 1 1bpyA MG Rep, Mult 95,105,154
160.01 1 3ujpC ZN Rep, Mult 5,44
170.01 1 1un9A MG Rep, Mult 263,265
180.01 1 8icnA ATP Rep, Mult 74,95,105,166
190.01 1 4ireB OXL Rep, Mult 119,122
200.01 1 1f61A MG Rep, Mult 105,146

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
10.0603kvnX0.4615.810.0590.7513.1.1.1235,253,260
20.0603lggA0.4825.880.0520.7943.5.4.427
30.0601xrtA0.4685.890.0520.7513.5.2.3NA
40.0603e0lA0.4925.140.0750.7403.5.4.3NA
50.0601a4lA0.4845.800.0730.7873.5.4.4NA
60.0601m7jA0.5155.450.0840.8013.5.1.81NA
70.0602i9uA0.4795.660.0240.7543.5.4.3NA
80.0603drwA0.4915.740.0710.7942.7.1.14654
90.0601ybqA0.4626.000.0600.7623.4.19.119
100.0603e74B0.4756.070.0770.8013.5.2.519
110.0601gkpA0.4665.900.0670.7623.5.2.2NA
120.0601a0dD0.4625.970.0540.7835.3.1.5NA
130.0601ra0A0.4895.260.0710.7473.5.4.140,235
140.0602ftwA0.5155.760.0580.8233.5.2.2242
150.0601ynyB0.4725.790.0510.7543.5.2.282
160.0602vr2A0.4665.920.0540.7623.5.2.2NA
170.0601gc5A0.4915.590.0540.7802.7.1.147144
180.0601a0cA0.4685.780.0420.7515.3.1.5NA
190.0602a3lA0.4706.080.0450.7913.5.4.644,253,255

(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
00.070.5085.800.080.813gipA GO:0016787 GO:0016810 GO:0016811 GO:0047421
10.070.4846.050.070.813e74B GO:0000256 GO:0004038 GO:0005737 GO:0006144 GO:0008270 GO:0009442 GO:0016787 GO:0016810 GO:0046872 GO:0050897
20.070.4745.870.060.773dc8A GO:0005737 GO:0016787 GO:0016810 GO:0046872
30.070.5145.930.050.863jcpN GO:0000502 GO:0004175 GO:0005634 GO:0006511 GO:0008540 GO:0030234 GO:0030674 GO:0034515 GO:0042176 GO:0043161 GO:0043248 GO:0050790
40.070.4775.610.060.764cqbA GO:0005737 GO:0016787 GO:0016810 GO:0018764 GO:0019381 GO:0046872
50.070.4695.900.060.761k1dA GO:0005737 GO:0016787 GO:0016810 GO:0046872
60.070.4826.080.070.814gz7A GO:0005737 GO:0016787 GO:0016810 GO:0046872
70.070.4755.740.050.774v1xE GO:0005737 GO:0016787 GO:0016810 GO:0018788 GO:0019381 GO:0046872
80.070.4695.930.050.774tqtD GO:0004157 GO:0005737 GO:0016787 GO:0016810
90.070.4496.030.060.752z00A GO:0004151 GO:0006221 GO:0008270 GO:0016787 GO:0016810 GO:0016812 GO:0044205 GO:0046872
100.070.5195.810.050.844b90A GO:0005737 GO:0005829 GO:0007165 GO:0007399 GO:0007411 GO:0008017 GO:0016787 GO:0016810 GO:0030425 GO:0043025
110.070.4826.000.060.804cnuA GO:0005615 GO:0005737 GO:0005829 GO:0010975 GO:0010976 GO:0010977 GO:0016787 GO:0016810 GO:0017124 GO:0030027 GO:0030334 GO:0030336 GO:0030426 GO:0031005 GO:0031941 GO:0035374 GO:0042995 GO:0044297 GO:0048666 GO:0048678 GO:0051017 GO:0051260 GO:0051491 GO:0051764 GO:0070382 GO:0071345
120.070.4765.830.060.761nfgA GO:0005737 GO:0016787 GO:0016810 GO:0046872
130.070.5155.450.080.801m7jA GO:0016787 GO:0016810 GO:0016811 GO:0046872 GO:0047420
140.070.4626.000.060.761ybqA GO:0005737 GO:0005829 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008798 GO:0016787 GO:0016810 GO:0046872
150.070.4665.920.050.762vr2A GO:0002058 GO:0002059 GO:0004157 GO:0005737 GO:0005829 GO:0006208 GO:0006210 GO:0006212 GO:0008270 GO:0016597 GO:0016787 GO:0016810 GO:0019482 GO:0019860 GO:0046135 GO:0046872 GO:0051219 GO:0051260 GO:0051289 GO:0070062
160.070.4725.890.080.763sfwA GO:0005737 GO:0016787 GO:0016810 GO:0046872
170.070.4676.220.060.804b3zD GO:0000226 GO:0005737 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0006139 GO:0007399 GO:0007411 GO:0010977 GO:0016787 GO:0016810 GO:0031005 GO:0048666 GO:1904530
180.070.4675.940.070.763hpaA


Consensus prediction of GO terms
 
Molecular Function GO:0043169 GO:0003824
GO-Score 0.37 0.33
Biological Processes GO:0043248 GO:0009442 GO:0043161 GO:0042176 GO:0050790 GO:0019381 GO:0006144
GO-Score 0.07 0.07 0.07 0.07 0.07 0.07 0.07
Cellular Component GO:0044424
GO-Score 0.37

(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.