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I-TASSER results for job id Rv1702c

[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
10.16 7 2entA ZN Rep, Mult 364,369,379,380
20.07 3 5bu8A CA Rep, Mult 38,41
30.05 2 1x4vA ZN Rep, Mult 364,369,399,402
40.02 1 5dooA CA Rep, Mult 95,98
50.02 1 3gl6A ZN Rep, Mult 364,369
60.02 1 3aodA MIY Rep, Mult 378,382,385,395
70.02 1 1t9wA NFN Rep, Mult 331,333,357
80.02 1 3csvA ZN Rep, Mult 377,379
90.02 1 4fppA MG Rep, Mult 163,167
100.02 1 4zm5B MG Rep, Mult 47,50
110.02 1 4lmxD PEB Rep, Mult 6,9
120.02 1 3hd7A GGG Rep, Mult 86,87
130.02 1 4q7rA ZN Rep, Mult 183,402

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
10.0602dq3A0.3216.720.0470.4986.1.1.11339
20.0601w36B0.3067.600.0300.5353.1.11.5218,299
30.0603kf5A0.3225.380.0520.4343.2.1.26NA
40.0601ej6A0.3017.150.0380.4962.7.7.50NA
50.0601k3iA0.2407.130.0290.3791.1.3.9NA
60.0603la4A0.3067.280.0380.5113.5.1.5217,419
70.0601gthA0.3147.200.0540.5181.3.1.2NA
80.0601serB0.3326.650.0670.5076.1.1.11377
90.0602np0A0.3017.410.0460.4983.4.24.69NA
100.0602zr3B0.3457.070.0880.5466.1.1.11356
110.0602uv8G0.3087.460.0480.5242.3.1.86NA
120.0603errA0.3556.660.0650.5556.1.1.11383
130.0601ofdA0.2786.950.0220.4411.4.7.1NA
140.0602p0mA0.2937.170.0460.4851.13.11.33NA
150.0602p0mB0.2437.870.0160.4341.13.11.33297,322
160.0602iw5A0.2936.780.0280.4541.-.-.-298
170.0603iydD0.2987.700.0610.5182.7.7.6289,292,346
180.0603g61A0.3296.470.0390.4853.6.3.44210
190.0602vy0A0.2964.820.0320.3863.2.1.39NA

(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
00.130.7382.110.070.794cg4A GO:0001726 GO:0002376 GO:0003779 GO:0005622 GO:0005634 GO:0005737 GO:0005776 GO:0005829 GO:0005856 GO:0005874 GO:0005875 GO:0006954 GO:0008270 GO:0010508 GO:0030027 GO:0031410 GO:0032691 GO:0032695 GO:0034341 GO:0042995 GO:0045087 GO:0046872 GO:0050728 GO:0071641 GO:1900016 GO:1900226 GO:2001056
10.060.3556.660.070.563errA GO:0000166 GO:0003341 GO:0003774 GO:0003777 GO:0004812 GO:0004828 GO:0005524 GO:0005737 GO:0005813 GO:0005856 GO:0005868 GO:0005874 GO:0006412 GO:0006418 GO:0006434 GO:0006810 GO:0007018 GO:0016020 GO:0016260 GO:0016874 GO:0016887 GO:0030175 GO:0030286 GO:0033962 GO:0034063 GO:0044822 GO:0051293 GO:0051959 GO:0070062 GO:0097056
20.060.3456.730.060.533qneA GO:0000166 GO:0004812 GO:0004828 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006434 GO:0016874 GO:0097056
30.060.3446.870.090.542zr3A GO:0000166 GO:0004812 GO:0004828 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006434 GO:0016260 GO:0016874 GO:0097056
40.060.3396.650.060.514l87A GO:0000166 GO:0003723 GO:0004812 GO:0004828 GO:0005524 GO:0005737 GO:0005829 GO:0006412 GO:0006418 GO:0006434 GO:0008033 GO:0016259 GO:0016874 GO:0070062 GO:0097056 GO:0098619
50.060.3332.960.050.373kb5A GO:0001778 GO:0001786 GO:0003012 GO:0005622 GO:0005886 GO:0006810 GO:0006887 GO:0006936 GO:0007517 GO:0008270 GO:0010832 GO:0016020 GO:0016567 GO:0030659 GO:0031410 GO:0031624 GO:0042383 GO:0043161 GO:0043569 GO:0046627 GO:0046872 GO:0051260 GO:0061630
60.060.3326.650.070.511serB GO:0000166 GO:0004812 GO:0004828 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006434 GO:0016260 GO:0016874 GO:0097056
70.060.3176.790.040.492dq3A GO:0000166 GO:0004812 GO:0004828 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006434 GO:0016260 GO:0016874 GO:0097056
80.060.3197.090.060.523lssA GO:0000166 GO:0004812 GO:0004828 GO:0005524 GO:0005737 GO:0005739 GO:0005829 GO:0006418 GO:0006434 GO:0016874
90.060.3362.920.060.382fbeC GO:0008270 GO:0046872
100.060.3316.790.050.513lssB GO:0000166 GO:0004812 GO:0004828 GO:0005524 GO:0005737 GO:0005739 GO:0005829 GO:0006418 GO:0006434 GO:0016874
110.060.3286.780.040.503vbbB GO:0000166 GO:0003723 GO:0004812 GO:0004828 GO:0005524 GO:0005737 GO:0005829 GO:0006412 GO:0006418 GO:0006434 GO:0008033 GO:0016259 GO:0016874 GO:0070062 GO:0097056 GO:0098619
120.060.3413.160.060.394b8eA GO:0002376 GO:0004842 GO:0005654 GO:0005737 GO:0006513 GO:0008270 GO:0016567 GO:0016740 GO:0016874 GO:0016881 GO:0036503 GO:0042787 GO:0043123 GO:0043627 GO:0044822 GO:0045087 GO:0046596 GO:0046597 GO:0046872 GO:0051091 GO:0051092 GO:0051607 GO:1902186 GO:1902187 GO:1904264
130.060.3402.400.080.372vokA GO:0000209 GO:0000932 GO:0003677 GO:0003723 GO:0004842 GO:0005622 GO:0005634 GO:0005737 GO:0005776 GO:0006513 GO:0007049 GO:0008270 GO:0010508 GO:0016567 GO:0016874 GO:0019005 GO:0030529 GO:0031410 GO:0031648 GO:0032088 GO:0032897 GO:0034341 GO:0042802 GO:0045087 GO:0045787 GO:0046872 GO:0051091 GO:0051865 GO:0070206 GO:0090086 GO:1902187
140.060.3293.220.040.384wvmA GO:0005576 GO:0019835 GO:0044179
150.060.3396.950.060.531wleB GO:0000166 GO:0004812 GO:0004828 GO:0005524 GO:0005737 GO:0005739 GO:0005759 GO:0006412 GO:0006418 GO:0006434 GO:0016874 GO:0097056
160.060.3272.540.090.362iwgB GO:0000209 GO:0000932 GO:0003677 GO:0003723 GO:0004842 GO:0005622 GO:0005634 GO:0005737 GO:0005776 GO:0005829 GO:0006513 GO:0007049 GO:0008270 GO:0010508 GO:0016567 GO:0016874 GO:0019005 GO:0030529 GO:0031410 GO:0031648 GO:0032088 GO:0032479 GO:0032897 GO:0034341 GO:0042802 GO:0045087 GO:0045787 GO:0046598 GO:0046872 GO:0051091 GO:0051865 GO:0060333 GO:0070206 GO:0090086 GO:1902187
170.060.3322.890.070.374v1pA GO:0002250 GO:0002376 GO:0005886 GO:0016020 GO:0016021 GO:0050663 GO:0050798 GO:0050852 GO:0072643
180.060.3283.170.080.372lm3A GO:0000932 GO:0002218 GO:0002221 GO:0002376 GO:0004842 GO:0005622 GO:0005634 GO:0005737 GO:0006914 GO:0008270 GO:0008329 GO:0016567 GO:0016874 GO:0019901 GO:0030674 GO:0031664 GO:0032880 GO:0032897 GO:0042802 GO:0042803 GO:0043123 GO:0043410 GO:0045071 GO:0045087 GO:0046597 GO:0046872 GO:0051091 GO:0051092 GO:0051607 GO:0070206 GO:0070534 GO:1902187 GO:1990462


Consensus prediction of GO terms
 
Molecular Function GO:0032559 GO:0004812 GO:0035639 GO:0032550
GO-Score 0.47 0.47 0.47 0.47
Biological Processes GO:0043043 GO:0043039 GO:0044267 GO:0032774 GO:0010467 GO:0034645
GO-Score 0.47 0.47 0.47 0.47 0.47 0.47
Cellular Component GO:0015630 GO:0044444 GO:0099513
GO-Score 0.36 0.36 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.