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I-TASSER results for job id Rv2172c

[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
10.37 22 1zptB NAD Rep, Mult 9,11,44,46,174,175,214,272,274
20.16 8 3ijdA C2F Rep, Mult 11,44,45,46,115,116,117,150,163,174,218,272
30.06 4 3ijdB C2F Rep, Mult 11,12,14,21,25,28,32,62,64,210,214,274
40.03 2 1zp4A C2F Rep, Mult 9,117,174,212,216,225,272,277
50.01 1 1zrqC NAD Rep, Mult 9,11,47,48,49,52,174,175,214,272,275

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
10.3501tqxA0.5403.650.0870.6745.1.3.1165
20.3383ijdA0.8012.230.1280.8841.5.1.20115,150,177,217,223
30.3251v93A0.7832.510.1330.8771.5.1.209
40.2072yw3E0.5143.360.1000.6314.1.2.149
50.1521xbzB0.5503.710.0730.6814.1.1.85NA
60.1362c0aB0.5203.410.1130.6414.1.2.14,4.1.3.16116,203
70.1091vlwB0.5313.280.1080.6414.1.3.16NA
80.1041nsjA0.5383.020.1200.6385.3.1.24NA
90.1041mxsA0.5273.380.0870.6444.1.2.14NA
100.0811v5xA0.5253.140.1060.6255.3.1.24NA
110.0772v81A0.5323.260.0910.6444.1.2.21NA
120.0772fliC0.5473.560.0780.6785.1.3.1NA
130.0712cz5A0.5383.390.1110.6584.1.1.23NA
140.0712czfA0.5373.540.1160.6614.1.1.23NA
150.0671wbhB0.5203.410.1130.6414.1.3.16,4.1.2.14NA
160.0672h6rB0.5183.700.0960.6485.3.1.1NA
170.0671h1yB0.5353.760.0910.6745.1.3.1NA
180.0671h1yA0.5343.850.1010.6785.1.3.1NA
190.0671vqtA0.4793.710.0970.6084.1.1.23NA
200.0673f4wA0.5473.520.1290.6714.1.2.-150,269
210.0641bgaA0.6703.770.0600.8313.2.1.21258
220.0601zp3B0.7652.480.1190.8611.5.1.20,1.7.99.59
230.0601v03A0.6734.060.0640.8543.2.1.21NA
240.0601r8lB0.6764.390.0660.8873.2.1.89NA
250.0601dwaM0.6683.830.0730.8373.2.1.147NA
260.0603gnrA0.6653.910.0710.8443.2.1.21NA
270.0602jieA0.6683.800.0950.8343.2.1.21272
280.0601lucA0.6643.900.0680.8541.14.14.3NA
290.0602dgaA0.6793.770.0680.8473.2.1.2141
300.0601e1eB0.6694.080.0840.8613.2.1.2141
310.0601ezwA0.6683.920.0790.8371.5.99.11135
320.0601np2A0.6723.690.0650.8343.2.1.2141
330.0601gnxA0.6693.880.0830.8413.2.1.21NA
340.0601od0B0.6693.900.0750.8413.2.1.21NA
350.0602zoxA0.5924.590.0530.7873.2.1.21171
360.0601tr1D0.6713.930.0520.8413.2.1.21NA
370.0601c7sA0.6644.050.0720.8473.2.1.52NA
380.0603fgcA0.6663.960.0720.8571.14.14.3NA
390.0601gonA0.6693.840.0870.8373.2.1.21NA

(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
00.360.8012.230.130.883ijdA GO:0004489 GO:0006555 GO:0016491 GO:0035999 GO:0055114
10.260.7732.480.130.873aptA GO:0000166 GO:0004489 GO:0005829 GO:0006555 GO:0009086 GO:0016491 GO:0035999 GO:0055114
20.250.7652.480.120.861zp3B GO:0004489 GO:0005829 GO:0006555 GO:0006730 GO:0008652 GO:0009086 GO:0016491 GO:0035999 GO:0046654 GO:0051289 GO:0055114 GO:0071949
30.190.6824.090.060.893ug4C GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0046373 GO:0046556
40.140.6894.080.040.892c8nA GO:0005737 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0031222 GO:0046373 GO:0046556
50.100.6884.160.070.891pz2A GO:0005737 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0031222 GO:0046373 GO:0046556
60.100.6844.210.070.892y2wE GO:0005975 GO:0046373 GO:0046556
70.070.6414.080.070.824m29A GO:0004553 GO:0005975
80.070.6373.950.090.812bfgA GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0009044 GO:0016787 GO:0016798 GO:0045493
90.070.6424.070.070.824ekjA GO:0004553 GO:0005975
100.070.5573.780.070.704oecA GO:0006629 GO:0008081 GO:0008889 GO:0046872
110.070.5694.460.040.753uyiA GO:0009820 GO:0016491 GO:0055114
120.070.6854.140.050.882vrkA GO:0008152 GO:0016787 GO:0016798 GO:0046373 GO:0046556
130.070.5385.260.080.794aioA GO:0003824 GO:0004553 GO:0005975 GO:0046872 GO:0051060
140.060.4214.010.090.552c71A GO:0000272 GO:0003824 GO:0004553 GO:0005975 GO:0016810 GO:0030246 GO:0045493
150.060.5194.290.090.703ritA GO:0000287 GO:0003824 GO:0006518 GO:0008152 GO:0009063 GO:0016853 GO:0016854 GO:0018850 GO:0019614 GO:0046872
160.060.3235.350.100.483zx4B GO:0005737 GO:0016311 GO:0046872 GO:0050531 GO:0051479
170.060.3076.290.040.512d3tC GO:0003824 GO:0003988 GO:0005737 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0016042 GO:0016740 GO:0016746 GO:0016747
180.060.2987.000.040.543im1A GO:0000166 GO:0000388 GO:0003676 GO:0004004 GO:0004386 GO:0005524 GO:0005634 GO:0005681 GO:0005682 GO:0006397 GO:0008380 GO:0016787 GO:0046540


Consensus prediction of GO terms
 
Molecular Function GO:0004489 GO:0050660 GO:0046556
GO-Score 0.64 0.49 0.31
Biological Processes GO:0055114 GO:0035999 GO:0009396 GO:0051260 GO:0051262 GO:0009086 GO:0046373
GO-Score 0.64 0.64 0.49 0.49 0.49 0.44 0.31
Cellular Component GO:0005829
GO-Score 0.44

(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.