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I-TASSER results for job id Rv1422

[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
10.28 8 3c3eC GDP Rep, Mult 10,11,12,13,16,194,195,196,200,226,229,290,291,298
20.22 3 2o2zA NAD Rep, Mult 12,13,194,195,196,226,227,228,230,272,273,276,295,297,299
30.07 2 3c3dA PO4 Rep, Mult 11,12,195,196,200,231
40.03 1 3du7A MG Rep, Mult 182,185,187
50.03 1 3du7C HOS Rep, Mult 53,56,57,77,92

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
10.0602vg8A0.4345.180.0830.5992.4.1.2189
20.0601edqA0.4206.520.0600.7053.2.1.14NA
30.0601dhsA0.4215.210.1120.5972.5.1.46,1.5.1.-NA
40.0602ff2B0.4305.050.0570.5943.2.2.1NA
50.0602qcvA0.4234.540.0820.5532.7.1.92NA
60.0601ahpA0.4515.980.0760.6872.4.1.1NA
70.0609cgtA0.4286.370.0330.7082.4.1.1916,61
80.0601gr0A0.4185.300.0830.5825.5.1.4126
90.0601de0A0.4365.450.0860.6401.18.6.1NA
100.0601ygpA0.4435.900.0310.6702.4.1.147
110.0603lxuX0.4296.360.0530.6963.4.14.10126
120.0603b9eA0.4196.600.0510.7113.2.1.14NA
130.0601d7fA0.4276.630.0550.7282.4.1.19NA
140.0601qhoA0.4426.240.0630.7223.2.1.133189
150.0601eg7A0.4535.750.1000.6876.3.4.3NA
160.0603kvnX0.4325.930.0320.6613.1.1.1NA
170.0601cjyA0.4825.920.0570.7283.1.1.4,3.1.1.5NA
180.0603b9xA0.4234.880.0960.5673.2.2.8256
190.0601wyeA0.4194.350.0960.5412.7.1.4554,55

(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
00.570.8451.360.340.872hzbA GO:0005737 GO:0008360
10.500.8541.790.310.912ppvA GO:0005737 GO:0008360
20.380.7063.510.270.832q7xA GO:0005737 GO:0008360
30.350.6261.920.300.672p0yA GO:0005737 GO:0008360
40.230.6383.620.160.763c3dA GO:0000287 GO:0009108 GO:0016740 GO:0016773 GO:0016780 GO:0051188
50.060.2986.010.050.461u2eA GO:0003824 GO:0005737 GO:0016787 GO:0018771 GO:0019380 GO:0019439 GO:0019622 GO:0042803 GO:0052823
60.060.2777.210.040.503o8jA GO:0005737 GO:0006099 GO:0016740 GO:0019679 GO:0036440 GO:0046912 GO:0050440
70.060.2345.830.060.365aysA GO:0004844 GO:0006281 GO:0006284 GO:0006974 GO:0008152 GO:0016787 GO:0016798 GO:0016799
80.060.1995.150.030.294eb5C GO:0005506 GO:0016226 GO:0046872 GO:0051536 GO:0051537
90.060.2326.480.030.382iewA GO:0000122 GO:0000166 GO:0000821 GO:0000823 GO:0000824 GO:0000825 GO:0000827 GO:0005524 GO:0005634 GO:0006351 GO:0006355 GO:0006525 GO:0008440 GO:0016236 GO:0016301 GO:0016310 GO:0016740 GO:0030674 GO:0032958 GO:0035004 GO:0045944 GO:0046854 GO:0046872 GO:0050821
100.060.3566.040.060.562q6tA GO:0000166 GO:0003677 GO:0003678 GO:0004386 GO:0005524 GO:0006260 GO:0006269 GO:0016787 GO:0032508 GO:1990077
110.060.1955.250.060.281zwtA GO:0009289
120.060.1754.480.100.233cgiC GO:0006580
130.060.1525.140.070.221jdqA
140.060.1655.090.030.241wikA GO:0002026 GO:0005080 GO:0005634 GO:0005737 GO:0005938 GO:0009055 GO:0010614 GO:0015035 GO:0030018 GO:0030425 GO:0044822 GO:0045454 GO:0046872 GO:0051536 GO:0055114 GO:0070062
150.060.1664.040.070.213zywB GO:0002026 GO:0005080 GO:0005634 GO:0005737 GO:0005938 GO:0009055 GO:0010614 GO:0015035 GO:0030018 GO:0030425 GO:0044822 GO:0045454 GO:0046872 GO:0051536 GO:0055114 GO:0070062
160.060.1445.600.040.223lygA
170.060.1654.010.050.202yanA GO:0002026 GO:0005080 GO:0005634 GO:0005737 GO:0005938 GO:0009055 GO:0010614 GO:0015035 GO:0030018 GO:0030425 GO:0044822 GO:0045454 GO:0046872 GO:0051536 GO:0055114 GO:0070062
180.060.1424.910.030.205cqxB GO:0003677 GO:0003723 GO:0004518 GO:0004519 GO:0004521 GO:0006351 GO:0006355 GO:0006402 GO:0006417 GO:0009372 GO:0016075 GO:0016787 GO:0030308 GO:0051607 GO:0090305 GO:0090502


Consensus prediction of GO terms
 
Molecular Function GO:0016772 GO:0046872
GO-Score 0.46 0.46
Biological Processes GO:0008360 GO:0006732 GO:0051188
GO-Score 0.91 0.46 0.46
Cellular Component GO:0005737
GO-Score 0.91

(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.