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I-TASSER results for job id Rv2425c

[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
10.45 22 3eobJ ZN Rep, Mult 315,317,319,411
20.04 2 1gt8C SF4 Rep, Mult 314,315,316,320,321,322,326,327,329
30.02 1 1ps9A SF4 Rep, Mult 326,409,410,437,438,452
40.02 1 1o94B SF4 Rep, Mult 314,316,348,349,350,351,352,353,377,378
50.02 1 3k30A ADP Rep, Mult 312,313,330,344,345,407,408,409,437

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
10.0602ri9B0.3707.190.0310.5983.2.1.113353,426
20.0603ffzA0.3707.840.0300.6543.4.24.69403
30.0602jfdA0.2157.370.0430.3602.3.1.85370
40.0601gthA0.4077.430.0480.6771.3.1.2NA
50.0601dl2A0.3707.180.0460.5983.2.1.113NA
60.0601kktA0.3697.210.0360.5963.2.1.113NA
70.0601js4A0.3797.280.0660.6213.2.1.4NA
80.0601jqoA0.3996.940.0490.6254.1.1.31NA
90.0601nxcA0.3577.280.0420.5813.2.1.113NA
100.0601fmiA0.3547.090.0670.5653.2.1.113411
110.0602ebsB0.4107.520.0570.6853.2.1.150NA
120.0601ayxA0.3617.230.0630.5943.2.1.3NA
130.0601jqnA0.3787.190.0620.6234.1.1.31NA
140.0601n8zC0.3597.700.0550.6132.7.10.1336,342,473
150.0601g87B0.3777.490.0490.6273.2.1.4NA
160.0602tmdA0.4226.800.0440.6461.5.8.2437,440,441
170.0602zxqA0.3737.650.0490.6373.2.1.97263
180.0603ebgA0.3906.760.0420.6023.4.11.-NA
190.0603la4A0.3667.790.0530.6313.5.1.5NA

(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
00.450.7903.560.090.901yvpB GO:0003723 GO:0005737 GO:0030030 GO:0030529 GO:0034336 GO:0046872
10.280.6155.190.070.812nvoA GO:0003723 GO:0005737 GO:0030529 GO:0046872
20.060.3257.360.060.535ahkA GO:0000287 GO:0003824 GO:0030976
30.060.3947.090.030.623s51A GO:0005634 GO:0005654 GO:0005737 GO:0006281 GO:0006974 GO:0007049 GO:0007095 GO:0016020 GO:0031398 GO:0043240 GO:0070182
40.060.4266.840.050.673s4wA GO:0005634 GO:0005654 GO:0005737 GO:0006281 GO:0006974 GO:0007049 GO:0007095 GO:0016020 GO:0031398 GO:0043240 GO:0070182
50.060.4406.390.040.653s4wB GO:0000793 GO:0005634 GO:0005730 GO:0005737 GO:0006281 GO:0006974 GO:0007049 GO:0007129 GO:0007275 GO:0007276 GO:0010332 GO:0034599 GO:0045589 GO:0048854 GO:0050727 GO:0051090 GO:0070182 GO:0097150 GO:2000348
60.060.2706.870.060.434mlcA GO:0006865
70.060.2576.230.060.382qb5A GO:0000166 GO:0000287 GO:0003824 GO:0005524 GO:0005622 GO:0005829 GO:0007165 GO:0007596 GO:0016301 GO:0016310 GO:0016311 GO:0016324 GO:0016740 GO:0016787 GO:0016853 GO:0021915 GO:0032957 GO:0043647 GO:0046872 GO:0047325 GO:0052659 GO:0052725 GO:0052726 GO:0052825 GO:0052830 GO:0052831 GO:0052835
80.060.2475.750.030.344lliA GO:0000146 GO:0000166 GO:0001726 GO:0001750 GO:0003774 GO:0003779 GO:0005509 GO:0005516 GO:0005524 GO:0005737 GO:0005764 GO:0005769 GO:0005770 GO:0005777 GO:0005783 GO:0005794 GO:0005829 GO:0005882 GO:0005884 GO:0006582 GO:0006810 GO:0006887 GO:0006892 GO:0007268 GO:0007601 GO:0015031 GO:0016020 GO:0016192 GO:0016459 GO:0017137 GO:0030048 GO:0030050 GO:0030073 GO:0030141 GO:0030318 GO:0030426 GO:0031585 GO:0031982 GO:0031987 GO:0032252 GO:0032400 GO:0032402 GO:0032433 GO:0032593 GO:0032869 GO:0035371 GO:0042438 GO:0042470 GO:0042476 GO:0042552 GO:0042641 GO:0042759 GO:0043005 GO:0043025 GO:0043473 GO:0044822 GO:0048066 GO:0050808 GO:0051643 GO:0055037 GO:0070062 GO:0072659 GO:1903358
90.060.2486.870.060.401i60A GO:0016853 GO:0046872
100.060.2056.110.070.303ps0A GO:0003723 GO:0051607
110.060.2187.350.040.363f3fA GO:0005634 GO:0005643 GO:0005773 GO:0005774 GO:0006810 GO:0006913 GO:0015031 GO:0016020 GO:0017056 GO:0031080 GO:0031965 GO:0035859 GO:0051028 GO:0097042 GO:1904263
120.060.2107.320.030.344bqqA GO:0000150 GO:0003677 GO:0006310 GO:0006508 GO:0008233
130.060.2117.370.030.354gyiA GO:0000166 GO:0004672 GO:0004674 GO:0005524 GO:0006468
140.060.1897.220.030.311kvpA GO:0005198 GO:0019012 GO:0019028 GO:0030430 GO:0039615
150.060.2076.620.040.324wbsB GO:0000166 GO:0005524 GO:0016887 GO:0043190 GO:0055085
160.060.2165.660.060.305ahoA GO:0000075 GO:0000723 GO:0000781 GO:0000784 GO:0003684 GO:0004518 GO:0004527 GO:0005634 GO:0005694 GO:0005737 GO:0005813 GO:0005815 GO:0005856 GO:0006281 GO:0006303 GO:0006974 GO:0008409 GO:0016787 GO:0031627 GO:0031848 GO:0031860 GO:0035312 GO:0036297 GO:0090305
170.060.2186.550.030.332bpa1 GO:0005198 GO:0019012 GO:0019028 GO:0030430 GO:0039615
180.060.1966.240.050.294io0A GO:0003824 GO:0008152 GO:0016787 GO:0016798 GO:0047405


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0034336
GO-Score 0.60 0.45
Biological Processes GO:0030030
GO-Score 0.45
Cellular Component GO:0005737 GO:0030529
GO-Score 0.65 0.60

(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.