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I-TASSER results for job id Rv2430c

[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
10.17 3 1fbmA RTL Rep, Mult 78,85,88
20.10 2 2g38B MN Rep, Mult 148,151,152
30.06 2 4zzbA XE Rep, Mult 109,139,142,143
40.06 2 2zhzA MG Rep, Mult 113,136
50.03 1 2x7aI MG Rep, Mult 119,123
60.03 1 2h9dD CA Rep, Mult 138,141
70.03 1 5buoA ZN Rep, Mult 102,145
80.03 1 3o02B JN3 Rep, Mult 24,28,82,85,86,89
90.03 1 5kayA ZN Rep, Mult 91,96,156
100.03 1 3r6yC CA Rep, Mult 108,112,135
110.03 1 2j9tA BO3 Rep, Mult 52,53,56,60,61,64

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
10.0601sesA0.4234.720.0390.6446.1.1.1194
20.0603g61A0.4904.700.0420.7423.6.3.44NA
30.0603gzhA0.4634.390.0560.6494.3.2.2NA
40.0601fftA0.4584.760.0640.7011.10.3.-NA
50.0601y2mB0.4735.010.0840.7534.3.1.24NA
60.0601serB0.4163.950.0330.5836.1.1.1137,44
70.0603gtdA0.4813.900.0530.6654.2.1.286
80.0601yfmA0.5124.200.0760.7114.2.1.2NA
90.0602pfmA0.4893.880.0560.6654.3.2.2138
100.0603e04D0.4834.360.0650.6964.2.1.260,67
110.0602np0A0.4305.140.0160.7113.4.24.69NA
120.0601j3uA0.4884.230.0590.6914.3.1.1NA
130.0601wleB0.4804.460.0660.6966.1.1.11116
140.0601qd1B0.2215.790.0220.4022.1.2.5,4.3.1.4NA
150.0603i9wA0.5943.540.0600.7892.7.13.340
160.0601occA0.4564.420.0480.6651.9.3.1NA
170.0602iw5A0.4494.280.0370.6441.-.-.-NA
180.0601dcnB0.4723.990.0600.6604.3.2.1NA
190.0603errA0.5084.180.0830.7326.1.1.11113,115

(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
00.840.8531.260.990.904kxrB GO:0005576 GO:0009405 GO:0009986
10.190.6992.330.120.813j83A GO:0005576 GO:0009405 GO:0044315
20.170.6304.050.070.904wpeA GO:0000142 GO:0000144 GO:0000281 GO:0000917 GO:0005737 GO:0005856 GO:0005935 GO:0007049 GO:0007067 GO:0008092 GO:0044697 GO:0051301 GO:0090339
30.170.6942.060.120.794xxxA GO:0005576 GO:0009405 GO:0044315
40.110.6673.620.060.875jdoA GO:0016020 GO:0016021
50.070.6443.800.100.884iw0A GO:0000166 GO:0002218 GO:0002376 GO:0003676 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0006468 GO:0006954 GO:0007249 GO:0009615 GO:0010008 GO:0010629 GO:0016032 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0032480 GO:0032481 GO:0032606 GO:0032727 GO:0032728 GO:0033138 GO:0035666 GO:0043123 GO:0044565 GO:0045087 GO:0045359 GO:0045944 GO:0050830 GO:0051219 GO:0051607 GO:1901214 GO:1904417
60.070.6293.980.070.884kikB GO:0000166 GO:0002223 GO:0003009 GO:0004672 GO:0004674 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006468 GO:0006954 GO:0007249 GO:0007252 GO:0008284 GO:0008384 GO:0008385 GO:0009615 GO:0009636 GO:0009898 GO:0010803 GO:0010976 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0019901 GO:0030866 GO:0031175 GO:0032496 GO:0033209 GO:0035509 GO:0035631 GO:0035666 GO:0038095 GO:0042325 GO:0042493 GO:0042501 GO:0042803 GO:0043066 GO:0043123 GO:0043231 GO:0045087 GO:0045121 GO:0045893 GO:0045944 GO:0046982 GO:0050852 GO:0051092 GO:0051403 GO:0070423 GO:0070498 GO:0070542 GO:0071356 GO:0090002 GO:0097110 GO:1901216 GO:1903140 GO:1903347
70.070.6024.330.060.895c1fA GO:0001786 GO:0005547 GO:0005737 GO:0005826 GO:0005829 GO:0005856 GO:0007049 GO:0007067 GO:0051301 GO:0070273 GO:1903475
80.070.6354.250.050.924iwoA GO:0000166 GO:0002218 GO:0002376 GO:0003676 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0006468 GO:0006954 GO:0007249 GO:0009615 GO:0010008 GO:0010629 GO:0016032 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0032480 GO:0032481 GO:0032606 GO:0032727 GO:0032728 GO:0033138 GO:0035666 GO:0043123 GO:0044565 GO:0045087 GO:0045359 GO:0045944 GO:0050830 GO:0051219 GO:0051607 GO:1901214 GO:1904417
90.070.5394.810.070.843qa8A GO:0004672 GO:0005524 GO:0005622 GO:0006468 GO:0007252 GO:0008384
100.070.4754.520.070.723qa8G GO:0004672 GO:0005524 GO:0005622 GO:0006468 GO:0007252 GO:0008384
110.060.3874.580.040.543hztA GO:0000166 GO:0004672 GO:0004674 GO:0005509 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0046872
120.060.3645.160.060.604ci6B GO:0004672 GO:0004674 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0016740
130.060.3504.500.040.494bwpA GO:0000166 GO:0000288 GO:0000289 GO:0000932 GO:0004672 GO:0005524 GO:0005737 GO:0006397 GO:0006468 GO:0010606 GO:0031251 GO:0044822
140.060.3305.510.010.574btfA GO:0000166 GO:0004672 GO:0005524 GO:0005737 GO:0005886 GO:0006468 GO:0012501 GO:0016020 GO:0019901 GO:0032403 GO:0070207 GO:0070266
150.060.2694.990.020.424nifA GO:0000166 GO:0000287 GO:0004672 GO:0004674 GO:0004712 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006468 GO:0006915 GO:0007049 GO:0007165 GO:0016301 GO:0016310 GO:0016740 GO:0030307 GO:0035556 GO:0043027 GO:0043066 GO:0043154 GO:0043555 GO:0043620 GO:0045597 GO:0045944 GO:0046872 GO:0072574 GO:2000491
160.060.2674.970.060.421blxA GO:0000082 GO:0000166 GO:0000307 GO:0001726 GO:0001954 GO:0002244 GO:0003323 GO:0004672 GO:0004674 GO:0004693 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005813 GO:0005815 GO:0005829 GO:0005856 GO:0006468 GO:0007049 GO:0007050 GO:0007219 GO:0008285 GO:0009615 GO:0010468 GO:0010628 GO:0014002 GO:0016301 GO:0016310 GO:0016740 GO:0021542 GO:0021670 GO:0030097 GO:0030154 GO:0030332 GO:0033077 GO:0042063 GO:0042127 GO:0042995 GO:0043697 GO:0045596 GO:0045638 GO:0045646 GO:0045656 GO:0045668 GO:0045786 GO:0048146 GO:0048699 GO:0050680 GO:0051301 GO:0060218 GO:1904628 GO:2000145 GO:2000773
170.060.3254.910.060.492j51A GO:0000166 GO:0004672 GO:0004674 GO:0004702 GO:0005524 GO:0005737 GO:0005913 GO:0006468 GO:0006915 GO:0016301 GO:0016310 GO:0016740 GO:0023014 GO:0030334 GO:0031122 GO:0031252 GO:0042802 GO:0042803 GO:0042981 GO:0046777 GO:0051893 GO:0070062 GO:0098609 GO:0098641
180.060.2655.000.030.424d9uA GO:0000166 GO:0000287 GO:0001501 GO:0002224 GO:0004672 GO:0004674 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006468 GO:0006915 GO:0007049 GO:0007165 GO:0007417 GO:0016301 GO:0016310 GO:0016740 GO:0019901 GO:0030307 GO:0032496 GO:0035556 GO:0043027 GO:0043066 GO:0043154 GO:0043555 GO:0043620 GO:0045597 GO:0045944 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0005515
GO-Score 0.35
Biological Processes GO:0009405 GO:1902410 GO:0000280 GO:0090337 GO:0090529 GO:0032232 GO:0044315
GO-Score 0.90 0.35 0.35 0.35 0.35 0.35 0.33
Cellular Component GO:0005576 GO:0009986 GO:0043234 GO:0000399 GO:0005940 GO:0032161 GO:0005826
GO-Score 0.90 0.84 0.35 0.35 0.35 0.35 0.35

(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.