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I-TASSER results for job id Rv3404c

[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 1 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
10.35 25 4lxyA 1YA Rep, Mult 60,63,64,65,66,67,79,91,109,111,112,114,115,116,174,175
20.21 17 1rbzA KT5 Rep, Mult 9,10,11,33,60,62,64,65,66,67,72,79,81,82,90,91,111,112,113,115,116,142,145
30.13 18 1menC GAR Rep, Mult 9,10,11,12,62,64,80,82,142,145
40.10 11 4lxxA FNF Rep, Mult 8,62,63,79,81,90,91,92,93,94,95,116,138,175,182,204,207,209
50.04 3 2ywrA CO Rep, Mult 79,81,116
60.02 2 2blnA U5P Rep, Mult 14,64,95,176,177,178,179,202,207,208
70.02 2 3r8xA MOE Rep, Mult 131,133,199,200,223,224
80.01 1 1s3iA BME Rep, Mult 31,34,63,65
90.01 1 3nrbA NA Rep, Mult 131,132,133,136
100.01 1 1grcA PO4 Rep, Mult 9,10,11,12,61
110.01 1 1s3iA BME Rep, Mult 126,127,139
120.01 1 4nv1H TYD Rep, Mult 92,94,138,204,207,209
130.01 1 1s3iA BME Rep, Mult 121,162,164

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
10.5022fmtA0.8122.620.1890.9442.1.2.979,81,107,116
20.4983kcqC0.6162.540.1710.7092.1.2.279,81,107,116
30.4823da8A0.6072.620.1760.7092.1.2.279,81,107,116
40.4231meoA0.5982.600.1350.6922.1.2.279,81
50.3312cfiA0.8142.730.1800.9491.5.1.681,116
60.1731z7eD0.8332.230.1840.9402.1.2.-,1.1.1.-79,81,107,116
70.1592blnA0.8422.200.1830.9442.1.1.279,81,107,116
80.1131c2tA0.6312.350.2240.7142.1.2.279,81,116
90.0951cddA0.5342.540.2320.6202.1.2.279,81,116
100.0602p5uA0.4764.870.1070.6885.1.3.2NA
110.0601l7qA0.4865.430.0720.7613.1.1.1NA
120.0603cmmC0.5234.680.0890.7446.3.2.19104,110
130.0603enkA0.4774.890.1030.6975.1.3.2NA
140.0603hfsB0.4764.770.0630.6841.3.1.77NA
150.0602gruA0.4765.120.0570.7314.2.3.-NA
160.0601q0lA0.4784.920.0650.7091.1.1.267NA
170.0602c82B0.4764.760.0630.6711.1.1.267175
180.0602gasA0.4825.010.0740.7051.3.1.457,13
190.0603itkC0.4755.400.0460.7481.1.1.22NA
200.0603lp8A0.4804.760.0710.7146.3.4.13NA
210.0603eifA0.4935.320.0320.7783.4.21.11018
220.0601i24A0.4884.610.0640.6923.13.1.1NA
230.0602c20A0.4854.280.0560.6585.1.3.2NA
240.0603lxuX0.4855.280.0920.7653.4.14.10NA

(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
00.700.9780.931.001.004pzuA GO:0004479 GO:0006413 GO:0009058 GO:0009405 GO:0016742 GO:0071951
10.570.9211.650.370.984yfvA GO:0009058 GO:0016742
20.530.9191.530.380.984nv1E GO:0009058 GO:0016740 GO:0016742
30.450.6232.370.140.712ywrA GO:0004644 GO:0006164 GO:0006189 GO:0009058 GO:0016740 GO:0016742
40.370.8102.660.180.943r8xA GO:0003824 GO:0004479 GO:0006412 GO:0006413 GO:0009058 GO:0016740 GO:0016742 GO:0071951
50.350.8102.670.200.943q0iA GO:0003824 GO:0004479 GO:0006412 GO:0006413 GO:0006431 GO:0009058 GO:0016740 GO:0016742 GO:0071951
60.350.8162.710.190.944xczA GO:0003824 GO:0009058 GO:0016742
70.350.8262.440.190.944iqfC GO:0003824 GO:0004479 GO:0006412 GO:0006413 GO:0009058 GO:0016740 GO:0016742 GO:0071951
80.350.8062.640.170.934lxqB GO:0009058 GO:0016742
90.340.8152.570.180.943tqqA GO:0003824 GO:0004479 GO:0006412 GO:0006413 GO:0009058 GO:0016740 GO:0016742 GO:0071951
100.330.8202.560.210.944qpcA GO:0001755 GO:0003824 GO:0005737 GO:0006730 GO:0007369 GO:0007507 GO:0008152 GO:0009058 GO:0009258 GO:0016155 GO:0016491 GO:0016620 GO:0016742 GO:0016787 GO:0048703 GO:0048885 GO:0055114
110.330.6162.540.170.713kcqC GO:0004644 GO:0006164 GO:0006189 GO:0009058 GO:0016740 GO:0016742
120.310.6092.300.210.683p9xA GO:0004644 GO:0006164 GO:0006189 GO:0009058 GO:0016740 GO:0016742
130.310.8122.620.190.942fmtA GO:0003824 GO:0004479 GO:0005829 GO:0006412 GO:0006413 GO:0009058 GO:0016740 GO:0016742 GO:0019988 GO:0071951
140.290.6112.570.140.714ew1A GO:0000166 GO:0003360 GO:0003824 GO:0004637 GO:0004641 GO:0004644 GO:0005524 GO:0005737 GO:0005829 GO:0006164 GO:0006189 GO:0006544 GO:0008152 GO:0009058 GO:0009113 GO:0009156 GO:0009168 GO:0010033 GO:0010035 GO:0016740 GO:0016742 GO:0016874 GO:0021549 GO:0021987 GO:0046654 GO:0046872 GO:0070062
150.290.6312.350.220.711c2tA GO:0004644 GO:0005829 GO:0006164 GO:0006189 GO:0006974 GO:0009058 GO:0016740 GO:0016742
160.280.5862.340.150.674ds3A GO:0004644 GO:0006164 GO:0006189 GO:0009058 GO:0016740 GO:0016742
170.280.5912.280.180.675cjjB GO:0004644 GO:0006164 GO:0006189 GO:0009058 GO:0016740 GO:0016742
180.270.6282.290.190.713aufA GO:0004644 GO:0006164 GO:0006189 GO:0009058 GO:0016740 GO:0016742
190.270.7233.050.140.891zghA GO:0003824 GO:0009058 GO:0016740 GO:0016742
200.270.6172.450.190.713o1lA GO:0006164 GO:0006189 GO:0006730 GO:0008152 GO:0008864 GO:0009058 GO:0016597 GO:0016742 GO:0016787
210.250.6072.620.180.713da8A GO:0000287 GO:0004644 GO:0006164 GO:0006189 GO:0009058 GO:0016740 GO:0016742 GO:0046653 GO:0046872
220.240.6042.130.190.683av3A GO:0004644 GO:0006164 GO:0006189 GO:0009058 GO:0016740 GO:0016742
230.220.5833.070.190.713louA GO:0006164 GO:0006189 GO:0006730 GO:0008864 GO:0009058 GO:0016742 GO:0016787
240.190.5982.710.190.703nrbD GO:0006164 GO:0006189 GO:0006730 GO:0008152 GO:0008864 GO:0009058 GO:0016597 GO:0016742 GO:0016787
250.180.8332.230.180.941z7eD GO:0003824 GO:0006629 GO:0008152 GO:0009058 GO:0009103 GO:0009245 GO:0016491 GO:0016616 GO:0016740 GO:0016742 GO:0033320 GO:0046493 GO:0046677 GO:0048040 GO:0050662 GO:0055114 GO:0070403 GO:0099618 GO:0099619
260.120.7173.230.200.845es8B GO:0003824 GO:0008152 GO:0009058 GO:0016742 GO:0016874 GO:0017000 GO:0031177


Consensus prediction of GO terms
 
Molecular Function GO:0004479 GO:0004644
GO-Score 0.81 0.45
Biological Processes GO:0006413 GO:0071951 GO:0009405 GO:0006189
GO-Score 0.81 0.81 0.70 0.45
Cellular Component
GO-Score

(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.