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I-TASSER results for job id Rv3030

[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
10.48 27 4qtuD SAM Rep, Mult 35,48,69,70,71,74,75,90,91,92,95,111,112,113,129,130,134
20.02 1 1p91A SAM Rep, Mult 48,69,70,71,72,73,74,75,129,130,159,160,164,266

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
10.1362h11B0.5633.480.0950.6862.1.1.67NA
20.1293e05D0.5093.140.1100.6022.1.1.132106
30.1222iftA0.4523.460.1030.5552.1.1.52NA
40.0922ex4A0.6073.210.1500.7262.1.1.-138
50.0673e05B0.5093.240.1200.6062.1.1.13235
60.0671f38A0.4973.160.1430.5912.1.1.-NA
70.0673bwmA0.5243.140.1220.6282.1.1.6133
80.0672cl5A0.5253.100.1280.6282.1.1.6133
90.0673hnrA0.5053.120.1210.5952.1.1.-NA
100.0663gdhA0.4953.390.1490.5952.1.1.-NA
110.0661xcjA0.5473.740.1300.6822.1.1.2NA
120.0663grzB0.4832.880.1050.5622.1.1.-31
130.0661nt2A0.4992.950.1090.5882.1.1.-NA
140.0661pjzA0.4783.720.1030.6062.1.1.6795,107,116
150.0603bwbA0.5344.640.0950.7342.5.1.1671,96
160.0602e5wA0.5434.410.0920.7232.5.1.16NA
170.0602iipA0.5883.390.1130.7232.1.1.169,71,90
180.0601wznA0.5783.370.1540.6932.1.1.-52
190.0601tw2B0.5793.760.1540.7232.1.1.-NA
200.0603lccA0.5673.410.1210.6822.1.1.-69
210.0603bgdA0.5643.630.1130.6932.1.1.67NA
220.0602qyoA0.5264.340.1220.6932.1.1.46NA
230.0603g5tA0.5803.860.1320.7302.1.1.14519,70,87
240.0601sqfA0.5404.230.1330.6902.1.1.-NA
250.0603eppB0.5833.410.1310.7152.1.1.5670,75,131
260.0602pxxA0.5443.080.1690.6463.4.24.71NA
270.0601fp2A0.5504.040.1130.7082.1.1.150NA
280.0601fp1D0.5343.920.1050.6792.1.1.-NA
290.0602i62C0.5803.390.1030.7192.1.1.169,71,91
300.0601jq3A0.5514.450.1120.7302.5.1.1669,112
310.0601ri5A0.5923.470.1500.7232.1.1.5669,75
320.0601uirB0.5484.360.1000.7232.5.1.16NA
330.0601ri1A0.5913.450.1550.7232.1.1.5669,90,130

(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
00.290.5563.280.150.663l8dA GO:0008152 GO:0008168 GO:0016740 GO:0032259
10.280.6773.720.100.865dm2A GO:0008168 GO:0016740 GO:0032259
20.260.5652.470.120.644qtuB GO:0000056 GO:0000447 GO:0005634 GO:0005730 GO:0005737 GO:0006364 GO:0008152 GO:0008168 GO:0008757 GO:0016435 GO:0016740 GO:0032259 GO:0070476
30.260.5193.230.170.623jwgA GO:0001510 GO:0008168 GO:0008171 GO:0008173 GO:0016740 GO:0032259
40.260.5143.240.150.611dusA GO:0008168 GO:0016740 GO:0032259
50.250.5443.040.130.643dtnA GO:0046872
60.250.5213.270.200.613sm3A GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872
70.220.5843.630.120.731bhjA GO:0001887 GO:0005542 GO:0005634 GO:0005737 GO:0005829 GO:0006544 GO:0008168 GO:0008757 GO:0016594 GO:0016740 GO:0017174 GO:0032259 GO:0046498 GO:0046500 GO:0046655 GO:0051262 GO:0051289 GO:0098603 GO:1901052
80.220.5603.430.120.683bxoA GO:0008168 GO:0008757 GO:0016740 GO:0017000 GO:0032259 GO:0042803
90.210.4883.690.110.612xvaA GO:0005737 GO:0005829 GO:0008168 GO:0008757 GO:0009636 GO:0016740 GO:0032259 GO:0046677 GO:0046690
100.210.5763.710.150.714necB GO:0008168 GO:0016740 GO:0032259
110.200.5473.680.170.663busA GO:0008152 GO:0008168 GO:0016740 GO:0032259
120.200.6672.200.200.744kdcA GO:0005829 GO:0006744 GO:0008168 GO:0008425 GO:0008689 GO:0008757 GO:0016740 GO:0032259 GO:0043431 GO:0061542 GO:0102004
130.200.5513.370.180.673mggB GO:0008168 GO:0016740 GO:0032259
140.200.5723.020.170.684htfB GO:0008033 GO:0008168 GO:0016740 GO:0032259
150.190.5123.140.150.614xcxA GO:0001510 GO:0003723 GO:0005737 GO:0008168 GO:0008171 GO:0008173 GO:0016740 GO:0031047 GO:0032259 GO:0034587 GO:0043186 GO:0046872
160.190.5263.070.180.612gluA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0016740 GO:0032259
170.180.5783.370.150.691wznA
180.180.5843.200.180.691ve3B GO:0046872 GO:0051536 GO:0051539
190.180.5773.280.120.694oqdC GO:0008168 GO:0008757 GO:0016740 GO:0017000 GO:0032259 GO:0042803
200.180.5683.100.150.673e23A GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
210.180.4773.240.120.572i6gB GO:0005737 GO:0008168 GO:0008757 GO:0016740 GO:0032259 GO:0046690
220.180.6063.170.150.735je1A GO:0008168 GO:0016740 GO:0032259
230.170.5213.400.180.621vl5A GO:0008152 GO:0008168 GO:0016740 GO:0032259
240.170.5792.930.180.684qdkA GO:0005737 GO:0008168 GO:0008757 GO:0015979 GO:0015995 GO:0016740 GO:0032259 GO:0036068 GO:0046406
250.170.5873.410.140.704iv8A GO:0000234 GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
260.170.5113.160.160.613jwhA GO:0001510 GO:0008171 GO:0008173
270.150.5552.930.120.653cggA GO:0008168 GO:0016740 GO:0032259
280.150.5553.450.120.671l1eA GO:0005737 GO:0006629 GO:0008168 GO:0008610 GO:0008825 GO:0009405 GO:0016740 GO:0032259 GO:0042783 GO:0046500 GO:0052167 GO:0071768
290.140.5552.950.190.653dh0B GO:0005737 GO:0008757 GO:0032259 GO:0046872 GO:0051536 GO:0051539
300.140.5133.350.140.624qpnA GO:0005622 GO:0005737 GO:0008168 GO:0016740 GO:0032259
310.140.6083.730.170.744pneB GO:0008152 GO:0008168 GO:0016740 GO:0032259
320.130.5893.100.170.693d2lC GO:0008168 GO:0016740 GO:0032259
330.130.5123.300.110.613ccfB GO:0008152 GO:0008168 GO:0016740 GO:0030798 GO:0032259
340.130.5123.030.160.613cc8A
350.130.5923.530.160.724qvgC GO:0008168 GO:0008171 GO:0032259
360.120.4832.880.100.563grzB GO:0005737 GO:0006479 GO:0008168 GO:0008276 GO:0016740 GO:0032259
370.120.5453.120.140.653g5lA
380.110.5234.050.120.675bp7A GO:0005737 GO:0008168 GO:0008757 GO:0016740 GO:0032259
390.070.5953.710.080.743ggdA
400.070.5503.010.190.653bkwA GO:0008152 GO:0008168 GO:0032259
410.070.6053.930.140.764mwzB GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
420.070.5693.430.080.691y8cA GO:0008168 GO:0016740 GO:0032259
430.070.5453.860.170.695bp9A GO:0008168 GO:0016740 GO:0032259
440.070.4723.050.120.551ne2B
450.070.4843.940.130.623fzgA GO:0008168 GO:0008649 GO:0031167 GO:0032259 GO:0046677 GO:0046872 GO:0051536 GO:0051539
460.070.5613.560.190.683dliA
470.070.5594.240.110.722o57A
480.070.5303.820.170.664dcmA GO:0003676 GO:0005737 GO:0006364 GO:0008168 GO:0008990 GO:0016740 GO:0031167 GO:0032259 GO:0052916 GO:0070475


Consensus prediction of GO terms
 
Molecular Function GO:0008649
GO-Score 0.52
Biological Processes GO:0000462 GO:0000466 GO:0070475 GO:0000054 GO:0036265 GO:0000479
GO-Score 0.52 0.52 0.52 0.52 0.52 0.52
Cellular Component GO:0043232 GO:0031981
GO-Score 0.52 0.52

(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.