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I-TASSER results for job id Rv0941c

[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
10.08 4 3ehbB HEA Rep, Mult 180,247
20.08 4 4x23F III Rep, Mult 175,178,179,182
30.06 3 1tilA MG Rep, Mult 175,179,225
40.04 2 1h74B MG Rep, Mult 145,178
50.04 2 5klgA 6UC Rep, Mult 177,180
60.04 2 3t9qB GL0 Rep, Mult 224,225,238,240,245
70.02 1 1l8tA MG Rep, Mult 5,205
80.02 1 4wfdD III Rep, Mult 146,153,154
90.02 1 2ckjD PO4 Rep, Mult 171,207,214,216,252
100.02 1 2ckjA FES Rep, Mult 138,139,193,203,204,205
110.02 1 1uryB XE Rep, Mult 149,152,174,177
120.02 1 2fkwF BCL Rep, Mult 175,176
130.02 1 3ke6A MN Rep, Mult 76,117
140.02 1 3zxoA ZN Rep, Mult 183,205,213

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
10.0601mswD0.3905.770.0340.6462.7.7.6NA
20.0601t3tA0.4046.040.0440.6936.3.5.3NA
30.0601vcmA0.3936.030.0580.6546.3.4.2NA
40.0601bglA0.3186.210.0700.5493.2.1.23NA
50.0602uv8G0.4335.580.0570.6972.3.1.86NA
60.0601ay0A0.4045.980.0610.6892.2.1.1NA
70.0601orvA0.3637.010.0480.7243.4.14.5NA
80.0602e9eA0.3936.360.0370.6771.11.1.7NA
90.0603b9jI0.2085.720.0080.3421.17.1.4,1.17.3.2150,179
100.0602pffB0.4215.900.0530.7002.3.1.86NA
110.0601e5tA0.3996.430.0610.7243.4.21.26NA
120.0601vcnA0.3996.040.0530.6736.3.4.2NA
130.0603eqlD0.3765.700.0450.6032.7.7.6171
140.0601jrpB0.4005.920.0340.6691.17.1.4226
150.0602rnpC0.3925.760.0330.6302.7.7.6NA
160.0602ow6A0.3976.250.0360.6973.2.1.114222
170.0601jroB0.4015.750.0300.6611.1.1.204NA
180.0601r9mB0.3836.820.0540.7323.4.14.5NA
190.0601trkA0.4055.970.0560.6932.2.1.1139,152

(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
00.200.8542.180.160.953ke6A GO:0000155 GO:0000160 GO:0000287 GO:0003824 GO:0004035 GO:0005622 GO:0006355 GO:0016311 GO:0016791 GO:0023014 GO:0030145
10.160.3922.520.140.451l0oA GO:0000166 GO:0004672 GO:0004674 GO:0005524 GO:0006468 GO:0010468 GO:0016301 GO:0016310 GO:0016740 GO:0016989 GO:0030435 GO:0030436 GO:0045892
20.060.3525.500.060.563goaB GO:0003824 GO:0003988 GO:0005737 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0016042 GO:0016740 GO:0016746 GO:0016747
30.060.3425.940.070.582gp6A GO:0001666 GO:0003824 GO:0004315 GO:0005618 GO:0005737 GO:0005886 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0016740 GO:0016746 GO:0030497 GO:0040007 GO:0071768
40.060.2966.350.050.534c6vA GO:0003824 GO:0008152 GO:0016740 GO:0016746 GO:0033817
50.060.3166.560.060.584f32B GO:0003824 GO:0006633 GO:0008152 GO:0016740 GO:0016746 GO:0016747 GO:0033817
60.060.3485.660.040.563e60A GO:0003824 GO:0006633 GO:0008152 GO:0016740 GO:0016746 GO:0016747 GO:0033817
70.060.4045.980.060.691ay0A GO:0003824 GO:0004802 GO:0005737 GO:0006098 GO:0008152 GO:0016740 GO:0046872
80.060.3465.640.060.563o04A GO:0003824 GO:0006633 GO:0008152 GO:0016740 GO:0016746 GO:0016747 GO:0033817
90.060.3456.430.090.635e5nB GO:0003824 GO:0005737 GO:0008152 GO:0016491 GO:0016740 GO:0016746 GO:0017000 GO:0031177 GO:0055114
100.060.2786.800.040.534r8eA GO:0003824 GO:0006633 GO:0008152 GO:0016740 GO:0016746 GO:0016747 GO:0033817
110.060.2956.510.060.552gqdA GO:0003824 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0016740 GO:0016746 GO:0016747 GO:0033817
120.060.3276.140.050.573kzuA GO:0003824 GO:0006633 GO:0008152 GO:0016740 GO:0016746 GO:0016747 GO:0033817
130.060.2996.830.050.572ix4A GO:0003824 GO:0004315 GO:0005739 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0016740 GO:0016746 GO:0016747
140.060.2816.230.040.512buhA GO:0003824 GO:0004315 GO:0005737 GO:0005829 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0008610 GO:0016740 GO:0016746
150.060.3435.700.060.564mz0B GO:0003824 GO:0008152 GO:0016740 GO:0031177 GO:0046872
160.060.3455.580.060.564xoxA GO:0003824 GO:0004315 GO:0008152 GO:0016740 GO:0016746
170.060.3526.450.080.644qyrA GO:0003824 GO:0008152 GO:0031177
180.060.3495.480.040.563oytA GO:0003824 GO:0004315 GO:0008152 GO:0016740 GO:0016746


Consensus prediction of GO terms
 
Molecular Function GO:0004673 GO:0046914 GO:0038023 GO:0042578 GO:0035639 GO:0000989 GO:0032559 GO:0032550
GO-Score 0.39 0.39 0.39 0.39 0.31 0.31 0.31 0.31
Biological Processes GO:0006351 GO:0035556 GO:0044710 GO:0006468 GO:0048646 GO:0043934 GO:2000113 GO:0010629 GO:0030154 GO:0019954 GO:1903507
GO-Score 0.39 0.39 0.39 0.39 0.31 0.31 0.31 0.31 0.31 0.31 0.31
Cellular Component GO:0044464
GO-Score 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.