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I-TASSER results for job id Rv1288

[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
10.26 7 1dqyA DEP Rep, Mult 213,214,293,294,295,320,386,387,432
20.09 3 1va5A SOG Rep, Mult 213,214,215,294,320,328,332,335,425,427
30.07 2 3hrhB GOL Rep, Mult 249,250,251,264,302,303,349,362
40.06 2 1f0pA MPD Rep, Mult 294,320,331
50.06 2 1u8eA UUU Rep, Mult 292,312,314,315,316
60.03 1 3hrhB GOL Rep, Mult 249,295,298,299,320,323,349,363

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
10.2613c6bA0.5013.020.1750.5643.1.2.12216,219,295,425
20.0763fcxB0.5032.780.1730.5573.1.2.12294,425
30.0663fcyA0.4834.380.1060.5993.1.1.41315
40.0601hlgA0.4643.950.0930.5553.1.1.3NA
50.0601vlqA0.4854.310.1150.5973.1.1.41317
60.0602gbcA0.4774.320.0760.5793.4.14.5,3.4.15.5318
70.0601c7jA0.4715.560.1120.6273.1.1.-294
80.0601crlA0.4685.510.1100.6273.1.1.3NA
90.0603fvrA0.4894.130.1040.5973.1.1.6NA
100.0602fj0A0.4735.630.1010.6293.1.1.1NA
110.0601cleA0.4715.430.1180.6213.1.1.3NA
120.0601r9mB0.4784.270.0710.5793.4.14.5318
130.0601ac5A0.4634.510.0740.5813.4.16.6NA
140.0602ecfA0.4853.920.0910.5753.4.14.5NA
150.0601mx9D0.4755.780.1120.6473.1.1.1NA
160.0601k4yA0.4685.910.1170.6403.1.1.1NA
170.0602qr5A0.4794.100.0890.5753.4.19.1317
180.0601yr2A0.4884.170.1030.5943.4.21.26294
190.0602veoB0.4994.190.0910.6163.1.1.3245
200.0602bklB0.4904.400.0770.6083.4.21.26316
210.0601eveA0.4854.780.1010.6143.1.1.7NA
220.0601l7aA0.4884.130.1080.5943.1.1.72,3.1.1.41294

(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
00.200.5492.470.190.591dqyA GO:0004144 GO:0005576 GO:0005618 GO:0006869 GO:0009247 GO:0016740 GO:0016746 GO:0016747 GO:0046677 GO:0050348 GO:0071769
10.180.4723.140.220.532uz0A
20.160.5492.560.190.601sfrA GO:0004144 GO:0005576 GO:0005618 GO:0005737 GO:0005886 GO:0016740 GO:0016746 GO:0016747 GO:0044119 GO:0044121 GO:0050348
30.140.5252.690.200.571r88A GO:0005576 GO:0016740 GO:0016746
40.130.5092.820.190.574b6gA GO:0016787 GO:0018738 GO:0046294 GO:0052689
50.120.5023.040.170.571pv1A GO:0005737 GO:0005829 GO:0016787 GO:0018738 GO:0046294 GO:0052689
60.100.5112.920.200.573i6yA GO:0016787 GO:0018738 GO:0046294 GO:0052689
70.090.5412.530.200.591f0nA GO:0004144 GO:0005576 GO:0005618 GO:0005886 GO:0016740 GO:0016746 GO:0016747 GO:0040007 GO:0044119 GO:0046677 GO:0050348 GO:0052572
80.090.5062.840.200.563ls2A GO:0016787 GO:0018738 GO:0046294 GO:0052689
90.080.5032.780.170.563fcxB GO:0005737 GO:0005788 GO:0016023 GO:0016787 GO:0016788 GO:0018738 GO:0031410 GO:0046294 GO:0047374 GO:0052689 GO:0070062 GO:1901687
100.070.4543.770.140.544opmA GO:0004806 GO:0016787
110.070.5082.860.160.573e4dA GO:0016787 GO:0018738 GO:0046294 GO:0046872 GO:0052689
120.060.4054.100.140.493p2mA GO:0052689
130.060.3876.980.030.621yiqA GO:0005509 GO:0009055 GO:0016020 GO:0016491 GO:0016614 GO:0020037 GO:0042597 GO:0046872 GO:0055114 GO:0070968
140.060.3375.690.040.471pcaA GO:0004180 GO:0004181 GO:0005576 GO:0005615 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0046872
150.060.2766.740.060.432imcB GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0020002 GO:0030430 GO:0033644 GO:0044156 GO:0044164 GO:0044221 GO:0044231 GO:0046872 GO:0050827 GO:0051609 GO:0071806
160.060.3206.270.060.471lfwA GO:0005737 GO:0006508 GO:0008152 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0016805 GO:0046872
170.060.2006.070.020.294oj2X GO:0003091 GO:0003097 GO:0005215 GO:0005372 GO:0005794 GO:0005886 GO:0005887 GO:0006810 GO:0006833 GO:0007588 GO:0009992 GO:0015168 GO:0015250 GO:0015254 GO:0015793 GO:0016020 GO:0016021 GO:0016323 GO:0016324 GO:0030658 GO:0030659 GO:0031410 GO:0034220 GO:0042631 GO:0055037 GO:0070062 GO:0071280 GO:0071288 GO:0072205
180.060.1955.830.040.282qx0A GO:0003848 GO:0009396 GO:0016301 GO:0016310 GO:0016740
190.060.1955.250.040.265etlD GO:0000166 GO:0000287 GO:0003848 GO:0005524 GO:0009396 GO:0016301 GO:0016310 GO:0016740 GO:0046654 GO:0046656
200.060.1816.570.040.284jfdE GO:0005886 GO:0006955 GO:0016020 GO:0016021 GO:0031295 GO:0050776 GO:0050852


Consensus prediction of GO terms
 
Molecular Function GO:0050348 GO:0004144
GO-Score 0.33 0.33
Biological Processes GO:0046467 GO:0042221 GO:0010876 GO:0071766 GO:1901137 GO:0006664 GO:0071702 GO:0044765 GO:0022607 GO:0044119
GO-Score 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.32
Cellular Component GO:0005576 GO:0005618 GO:0044424
GO-Score 0.42 0.33 0.32

(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.