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I-TASSER results for job id Rv3532

[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
10.06 2 1fbmD RTL Rep, Mult 78,85
20.06 2 1jkuA MN3 Rep, Mult 25,118,119,139,142
30.06 2 5kc1J III Rep, Mult 64,67,68,71,78,79
40.06 2 1h3wM UUU Rep, Mult 225,227,235,237,271,272,278
50.03 1 1o9iA O Rep, Mult 25,29,142
60.03 1 1h3uB UUU Rep, Mult 224,226,237,238,274
70.03 1 3cmvE ANP Rep, Mult 112,114,117,118,119,142
80.03 1 3tygH UUU Rep, Mult 13,15,21,22,23,145
90.03 1 2g38B MN Rep, Mult 151,154,155
100.03 1 2rgxA ZN Rep, Mult 144,148
110.03 1 1xmvA MG Rep, Mult 103,108,113
120.03 1 3i9dK MG Rep, Mult 106,108
130.03 1 1frt3 III Rep, Mult 20,23,24,25,100,101,104
140.03 1 1lghE BCL Rep, Mult 76,79,80,83

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
10.0603btaA0.3426.770.0430.5543.4.24.69142
20.0603fwlA0.3227.360.0620.5622.4.1.129NA
30.0601ea0A0.3187.690.0530.5811.4.1.13NA
40.0603iydC0.3547.420.0470.6162.7.7.6NA
50.0603ffzA0.3277.270.0320.5543.4.24.69NA
60.0603fwmA0.2947.710.0340.5372.4.1.129,NA
70.0601zvuA0.3316.990.0510.5545.99.1.-NA
80.0603hmjA0.3437.020.0440.5672.3.1.86NA
90.0601etuA0.1495.370.0310.2093.6.5.3NA
100.0601p4rA0.3437.050.0310.5742.1.2.3,3.5.4.10NA
110.0602np0A0.3346.620.0480.5273.4.24.69NA
120.0602vdcA0.3467.320.0250.5941.4.1.13NA
130.0601z0hB0.2337.490.0280.4063.4.24.69NA
140.0601ej6A0.3357.440.0170.5842.7.7.5020
150.0601ug9A0.3597.250.0280.6133.2.1.70NA
160.0602vuaA0.2367.110.0390.3973.4.24.69115,116,147
170.0603hz3A0.3426.920.0460.5692.4.1.5NA
180.0603eqlM0.3437.660.0370.6112.7.7.6133,138
190.0601g8mA0.3436.810.0310.5643.5.4.10,2.1.2.3NA

(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
00.230.3656.570.050.583cfoA GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
10.060.3596.600.040.574i9qB GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
20.060.3586.500.040.572p5oB GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
30.060.3626.510.050.582atqA GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
40.060.3706.970.050.613iayA GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0005634 GO:0005657 GO:0005829 GO:0006260 GO:0006278 GO:0006287 GO:0006297 GO:0008296 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0043137 GO:0043625 GO:0044281 GO:0045004 GO:0045005 GO:0046872 GO:0051536 GO:0051539 GO:0090305
50.060.3426.460.040.541tgoA GO:0000166 GO:0003676 GO:0003677 GO:0003824 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008152 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0071897 GO:0090305
60.060.3556.780.050.581wn7A GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0071897 GO:0090305
70.060.3506.990.050.582p5oD GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
80.060.3097.700.040.574fxdA GO:0000166 GO:0000731 GO:0001882 GO:0003676 GO:0003677 GO:0003887 GO:0005634 GO:0005657 GO:0005658 GO:0006260 GO:0006270 GO:0006272 GO:0006273 GO:0006278 GO:0006279 GO:0006302 GO:0006303 GO:0008408 GO:0016740 GO:0016779 GO:0046872 GO:0051536 GO:0051539 GO:0090305
90.060.2957.590.040.523uwxA GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0090305
100.060.2837.260.040.492r6fA GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0090305
110.060.2597.850.030.482r6fB GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0090305
120.060.3086.920.040.513a2fA GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004519 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0071897 GO:0090305
130.060.4156.610.060.672gv9B GO:0000166 GO:0003676 GO:0003677 GO:0003824 GO:0003887 GO:0004518 GO:0004519 GO:0004523 GO:0006260 GO:0008152 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0042025 GO:0071897 GO:0090305 GO:0090502
140.060.3696.520.040.592oyqA GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
150.060.3696.840.020.613k5nA GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0006261 GO:0006281 GO:0006974 GO:0008296 GO:0008408 GO:0009432 GO:0016740 GO:0016779 GO:0045004 GO:0071897 GO:0090305
160.060.3346.980.030.561d5aA GO:0000166 GO:0003676 GO:0003677 GO:0003824 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008152 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0046872 GO:0071897 GO:0090305
170.060.2897.600.040.525exrC GO:0000082 GO:0000083 GO:0000166 GO:0000722 GO:0000731 GO:0000785 GO:0001882 GO:0003676 GO:0003677 GO:0003682 GO:0003887 GO:0003896 GO:0005634 GO:0005635 GO:0005654 GO:0005658 GO:0005730 GO:0005737 GO:0006260 GO:0006269 GO:0006270 GO:0006271 GO:0006272 GO:0006273 GO:0006281 GO:0006303 GO:0008283 GO:0008408 GO:0016032 GO:0016363 GO:0016740 GO:0016779 GO:0019901 GO:0046872 GO:0046982 GO:0051536 GO:0051539 GO:0071897 GO:0090305
180.060.3116.520.030.494fluA GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0071897 GO:0090305


Consensus prediction of GO terms
 
Molecular Function GO:0003677 GO:0000166 GO:0003887 GO:0008408
GO-Score 0.41 0.41 0.41 0.41
Biological Processes GO:0090305 GO:0039693 GO:0071897
GO-Score 0.41 0.37 0.37
Cellular Component GO:0043625 GO:0005829
GO-Score 0.06 0.06

(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.