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I-TASSER results for job id Rv3701c

[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 14 4pioA SAH Rep, Mult 36,47,86,87,88,92,112,113,114,115,118,140,141,142,161,163
20.20 8 4pipD TRP Rep, Mult 37,38,47,56,161,163,166,206,213,216,282,284
30.07 4 1qzzA SAM Rep, Mult 37,86,87,88,113,114,140,141,142,160,162,166,167
40.02 1 4fs8A CA Rep, Mult 56,86
50.02 1 3jwgA MG Rep, Mult 86,160
60.02 1 1yz30 III Rep, Mult 69,195,289,290,293,307,308

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
10.0813hnrA0.4733.320.1300.5732.1.1.-NA
20.0712h11B0.4843.820.0900.6082.1.1.67NA
30.0672ex4A0.5133.590.1520.6292.1.1.-165
40.0662opbB0.5273.830.1200.6542.1.1.2886,88,113,146
50.0662iipA0.5383.710.1230.6642.1.1.136,86,88,115,141
60.0663lccA0.4773.450.1070.5832.1.1.-48,86,119,138
70.0661xcjA0.4823.970.1270.6082.1.1.237,143
80.0663bgdA0.4833.680.0800.5982.1.1.67NA
90.0662pxxA0.4523.620.1550.5543.4.24.71NA
100.0661ri5A0.5044.100.0980.6452.1.1.5686
110.0661ri1A0.5044.140.0930.6482.1.1.5686,113
120.0601im8A0.5233.600.1580.6512.1.1.-NA
130.0601kphC0.5084.250.0870.6602.1.1.7940
140.0601kpiA0.5054.390.1150.6602.1.1.79NA
150.0601tpyA0.5114.300.1100.6602.1.1.79NA
160.0602i62C0.5303.550.1110.6452.1.1.138,86,88,115,284
170.0602ve5H0.4915.530.0700.7321.2.1.8114,157,193,295
180.0602qyoA0.4854.180.0880.6172.1.1.46NA
190.0602ve5A0.4925.480.0700.7291.2.1.8NA
200.0602aovA0.5413.720.0740.6702.1.1.886,91,116
210.0601a4sA0.4905.470.0530.7201.2.1.8,1.2.1.3NA
220.0601wznA0.5293.460.1270.6422.1.1.-NA
230.0601wnbA0.4935.470.0620.7351.2.1.19,1.2.1.8NA
240.0601o01C0.4945.440.0540.7351.2.1.3NA
250.0602a14A0.5323.570.1350.6452.1.1.4986,88,115,138,160
260.0603fg0C0.4995.440.0460.7381.2.1.8NA
270.0603b4wA0.4965.350.0480.7291.2.1.-NA
280.0601wndA0.4935.410.0500.7321.2.1.19NA
290.0602fk8A0.4924.060.0870.6292.1.1.-167
300.0603i58A0.5223.410.1270.6262.1.1.-NA

(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
00.690.9800.910.741.004uy7A GO:0006479 GO:0008168 GO:0008276 GO:0016740 GO:0030745 GO:0032259 GO:0052699 GO:0052704 GO:0052707
10.190.5383.820.100.674kifB GO:0008168 GO:0016740 GO:0017000 GO:0032259
20.130.5223.790.130.663b5iA GO:0000287 GO:0008168 GO:0009944 GO:0010252 GO:0016740 GO:0032259 GO:0042802 GO:0046872 GO:0051749
30.070.5803.880.090.731m6eX GO:0008168 GO:0016740 GO:0032259 GO:0046872
40.070.5163.890.150.655cvdA GO:0005634 GO:0005654 GO:0005737 GO:0006480 GO:0007051 GO:0007059 GO:0008168 GO:0008276 GO:0016740 GO:0018011 GO:0018012 GO:0018016 GO:0032259 GO:0035572 GO:0035573 GO:0071885
50.070.5803.850.110.725hyzA GO:0003700 GO:0005634 GO:0006351 GO:0006355 GO:0043565
60.070.5673.980.140.725f2kA GO:0008168 GO:0032259
70.070.4793.840.080.604iv8A GO:0000234 GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
80.070.5573.730.100.692eg5E GO:0008168 GO:0009820 GO:0016740 GO:0032259
90.070.5553.990.110.722efjA GO:0008168 GO:0009820 GO:0016740 GO:0032259
100.070.5014.020.100.643uj7A GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
110.070.4683.460.130.573dliA
120.060.3656.050.070.572y4oA GO:0000166 GO:0003824 GO:0008152 GO:0010124 GO:0016874 GO:0046872 GO:0047475
130.060.3057.060.050.551xtfA 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
140.060.3156.450.060.545ab5A GO:0003824 GO:0008152 GO:0016747
150.060.2986.280.050.492hx1A GO:0046872
160.060.2965.330.040.434m7tA GO:0003824 GO:0016491 GO:0017000 GO:0046872 GO:0051536 GO:0051539 GO:0055114
170.060.2996.740.040.522imcB 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
180.060.2996.640.040.514dxbA GO:0005215 GO:0005363 GO:0006810 GO:0006974 GO:0008643 GO:0008800 GO:0015768 GO:0016787 GO:0030288 GO:0030655 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0046677 GO:0055052 GO:0060326 GO:1901982 GO:1990060
190.060.2865.090.040.404m7sA GO:0003824 GO:0016491 GO:0017000 GO:0046872 GO:0051536 GO:0051539 GO:0055114
200.060.2696.450.030.454v94B GO:0000166 GO:0005524 GO:0005737 GO:0005832 GO:0006457 GO:0051082
210.060.2696.970.040.473oftA GO:0004497 GO:0005506 GO:0016491 GO:0016705 GO:0020037 GO:0046872 GO:0055114
220.060.3416.810.050.583v0aA 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


Consensus prediction of GO terms
 
Molecular Function GO:0008276 GO:0030745 GO:0043169
GO-Score 0.71 0.69 0.38
Biological Processes GO:0052704 GO:0006479 GO:0052707 GO:0016999
GO-Score 0.69 0.69 0.69 0.37
Cellular Component GO:0005737 GO:0005654
GO-Score 0.07 0.07

(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.