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I-TASSER results for job id Rv3104c

[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
10.11 6 2wieB CVM Rep, Mult 125,126,129
20.04 2 2jhrA PBQ Rep, Mult 134,137,138,141,176,177,188
30.04 2 4zzcA XE Rep, Mult 46,49,91,94
40.04 2 1wdc2 III Rep, Mult 109,112,114,115,116,117,118,119,120,121,122,123,124,125,126,127,129,130,132,133,135,136,139,140
50.04 2 4zzbA XE Rep, Mult 128,129,132
60.04 2 1mneA POP Rep, Mult 146,147,148,149,150,200,201
70.04 2 3k71E UUU Rep, Mult 153,176,178,180
80.02 1 1bpyA MG Rep, Mult 202,209
90.02 1 1wdc0 III Rep, Mult 81,82,85,88,89,90,91,92,93,94,95,96,97,99,102,103,108,109
100.02 1 2wieC CVM Rep, Mult 132,135,139
110.02 1 1xmeC HAS Rep, Mult 40,44
120.02 1 2o011 CLA Rep, Mult 150,151
130.02 1 1o5qA MG Rep, Mult 151,266
140.02 1 3c9iC XE Rep, Mult 43,46
150.02 1 1w0nA MG Rep, Mult 147,217

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
10.0601pn0C0.3395.610.0480.5131.14.13.7NA
20.0601g87B0.3635.950.0400.5683.2.1.4NA
30.0603gqbA0.2856.770.0320.5133.6.3.14NA
40.0601i1qA0.3215.660.0590.4872.4.2.18,4.1.3.27NA
50.0602cjbB0.3455.340.0480.5006.1.1.11NA
60.0601l8aA0.3596.150.0270.5841.2.4.1NA
70.0603h0gA0.3956.250.0510.6432.7.7.6NA
80.0602jfdA0.2176.060.0280.3542.3.1.85141
90.0601kc7A0.3446.710.0320.6072.7.9.1NA
100.0602vz9B0.2816.670.0500.4972.3.1.85NA
110.0602qtcB0.2886.440.0220.4771.2.4.1166,179
120.0602g8eA0.2556.130.0440.4253.4.22.52NA
130.0601ofdA0.2594.350.0350.3411.4.7.1NA
140.0601llwA0.3406.750.0170.6011.4.7.1NA
150.0601yq2A0.3416.600.0520.5943.2.1.23101
160.0601bglA0.3376.700.0540.5913.2.1.23NA
170.0602nqaB0.2326.130.0540.3733.4.22.53,3.4.22.52NA
180.0602qf7B0.3656.640.0270.6306.4.1.1NA
190.0602vuaA0.2586.810.0250.4713.4.24.69274,282

(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
00.570.8451.120.270.873udcA GO:0005886 GO:0006810 GO:0006811 GO:0008381 GO:0009992 GO:0016020 GO:0016021 GO:0034220 GO:0055085
10.270.6992.750.140.814hw9A GO:0016020 GO:0016021 GO:0055085
20.230.5984.110.160.765ajiA GO:0005886 GO:0006810 GO:0006811 GO:0008381 GO:0009992 GO:0016020 GO:0016021 GO:0034220 GO:0055085
30.060.3966.430.060.674zhjB GO:0009058 GO:0015995 GO:0016851
40.060.3416.210.030.574r0mA GO:0003824 GO:0008152 GO:0016740 GO:0031177
50.060.3476.680.050.624yuub1 GO:0009507 GO:0009521 GO:0009523 GO:0009535 GO:0009536 GO:0009579 GO:0009767 GO:0009772 GO:0015979 GO:0016020 GO:0016021 GO:0016168 GO:0018298 GO:0019684 GO:0045156
60.060.4026.100.050.654zhjA GO:0009058 GO:0015995 GO:0016851
70.060.3115.260.050.453kz1A GO:0000910 GO:0001558 GO:0001664 GO:0005085 GO:0005089 GO:0005096 GO:0005622 GO:0005737 GO:0005829 GO:0006928 GO:0006941 GO:0007186 GO:0007266 GO:0016020 GO:0030010 GO:0030036 GO:0035023 GO:0043065 GO:0043547 GO:0045893 GO:0051056
80.060.3206.460.040.551izlB GO:0009521 GO:0009523 GO:0009579 GO:0009767 GO:0009772 GO:0015979 GO:0016020 GO:0016021 GO:0016168 GO:0018298 GO:0019684 GO:0042651 GO:0045156
90.060.2395.800.050.374rkcA GO:0003824 GO:0006520 GO:0008483 GO:0008793 GO:0009058 GO:0016740 GO:0030170 GO:0080130
100.060.2336.930.070.424nphA GO:0000166 GO:0005524 GO:0005737 GO:0006754 GO:0006810 GO:0006811 GO:0009058 GO:0009405 GO:0015031 GO:0015992 GO:0016787 GO:0016887 GO:0030254 GO:0030257 GO:0030430 GO:0033644 GO:0043621 GO:0044128 GO:0046961 GO:0050714 GO:0051087 GO:1902600
110.060.2284.720.030.321byeA GO:0004364 GO:0016740
120.060.2096.490.050.364itrA GO:0000166 GO:0003824 GO:0004197 GO:0005524 GO:0005576 GO:0006464 GO:0006508 GO:0008152 GO:0008233 GO:0008234 GO:0009279 GO:0009405 GO:0016020 GO:0016740 GO:0016779 GO:0016787 GO:0018117 GO:0034260 GO:0070733
130.060.1975.850.040.314yjdA GO:0003884 GO:0005102 GO:0005741 GO:0005777 GO:0005778 GO:0005829 GO:0006562 GO:0016491 GO:0036088 GO:0042416 GO:0046416 GO:0046983 GO:0048037 GO:0055114 GO:0055130 GO:0070178 GO:0071949
140.060.2416.970.020.432i3oD GO:0003840 GO:0006749 GO:0016740
150.060.1986.510.030.354hktB GO:0008152 GO:0016491 GO:0050112 GO:0055114
160.060.2306.950.030.401cvrA GO:0004197 GO:0004198 GO:0005509 GO:0005576 GO:0006508 GO:0008233 GO:0008234 GO:0009405 GO:0016787
170.060.2096.740.040.373h9uC GO:0000166 GO:0004013 GO:0005829 GO:0006730 GO:0016787 GO:0033353
180.060.1995.500.040.303esvF


Consensus prediction of GO terms
 
Molecular Function GO:0008381
GO-Score 0.67
Biological Processes GO:0009992 GO:0034220
GO-Score 0.67 0.67
Cellular Component GO:0016021 GO:0005886
GO-Score 0.76 0.67

(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.