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I-TASSER results for job id Rv2625c

[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
10.15 3 3b4rA ZN Rep, Mult 66,67,70,165
20.11 3 2ckjD FES Rep, Mult 280,281,282,290,291,292,347
30.11 3 2ckjC FES Rep, Mult 110,111,112,114,156,157,165,166
40.11 3 3eubS FES Rep, Mult 160,161,164,165,166,167,171,188
50.04 1 1fiqA FES Rep, Mult 106,107,109,167,168,169
60.04 1 2ckjD PO4 Rep, Mult 162,190,192,230

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
10.0603eifA0.3677.210.0720.6393.4.21.110NA
20.0601j38A0.3836.520.0620.6013.4.15.1NA
30.0602c6fA0.3776.400.0460.5903.4.15.167
40.0602e1qA0.4077.220.0640.7131.17.3.2,1.17.1.4NA
50.0603cuzA0.3646.200.0720.5572.3.3.9NA
60.0602ckjA0.3687.250.0540.6441.17.1.4,1.17.3.2NA
70.0601asqA0.3636.600.0410.5781.10.3.3164
80.0601aozA0.3646.610.0410.5801.10.3.3NA
90.0602f8zF0.3655.840.0590.5392.5.1.10,2.5.1.1159,161,163,167
100.0601xdpA0.3817.140.0490.6462.7.4.1NA
110.0601vncA0.3726.540.0630.5751.11.1.10NA
120.0601ogoX0.3657.270.0550.6233.2.1.11280,282
130.0602pdaA0.3717.140.0900.6261.2.7.1NA
140.0603i9v10.3726.840.0800.6131.6.99.5162
150.0601y7910.3846.940.0600.6283.4.15.5NA
160.0601yiqA0.3717.370.0820.6591.1.99.-NA
170.0603b9jJ0.2616.200.0580.4021.17.1.4,1.17.3.2283,302
180.0601t3tA0.3937.570.0410.7026.3.5.3157
190.0603bkkA0.3746.570.0660.5883.4.15.111

(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
00.450.5321.570.270.553b4rA GO:0004222 GO:0005886 GO:0006508 GO:0008233 GO:0008237 GO:0016020 GO:0016021 GO:0016787 GO:0046872
10.160.3057.040.060.513od3A GO:0005507 GO:0016491 GO:0016722 GO:0030288 GO:0042597 GO:0046872 GO:0052716 GO:0055114
20.060.4077.220.060.712e1qA GO:0001933 GO:0001937 GO:0003824 GO:0004854 GO:0004855 GO:0005506 GO:0005576 GO:0005615 GO:0005737 GO:0005777 GO:0005829 GO:0006195 GO:0006919 GO:0007595 GO:0009055 GO:0009115 GO:0010629 GO:0016491 GO:0016529 GO:0016614 GO:0016903 GO:0030856 GO:0042803 GO:0043546 GO:0045602 GO:0046872 GO:0050660 GO:0051536 GO:0051537 GO:0051898 GO:0055114 GO:1900745 GO:1900747 GO:2000379 GO:2001213
30.060.3917.120.070.673zyvB GO:0003824 GO:0004031 GO:0004854 GO:0005506 GO:0005737 GO:0005829 GO:0009055 GO:0009115 GO:0016491 GO:0016614 GO:0030151 GO:0046872 GO:0050660 GO:0051287 GO:0051536 GO:0051537 GO:0055114
40.060.3387.350.050.581ffuB GO:0005507 GO:0016491 GO:0018492 GO:0030151 GO:0046872 GO:0055114
50.060.3716.960.050.633ax7A GO:0003824 GO:0004854 GO:0004855 GO:0005506 GO:0005576 GO:0005615 GO:0005737 GO:0005777 GO:0005829 GO:0009055 GO:0009115 GO:0016491 GO:0016614 GO:0016903 GO:0043546 GO:0046872 GO:0050660 GO:0051536 GO:0051537 GO:0055114
60.060.3026.470.030.474zohA GO:0016491 GO:0055114
70.060.2716.870.040.441t3qB GO:0016491 GO:0055114
80.060.4137.000.070.704uhxA GO:0003824 GO:0004031 GO:0004854 GO:0005506 GO:0005737 GO:0005829 GO:0006954 GO:0009055 GO:0009115 GO:0016491 GO:0016614 GO:0042816 GO:0043546 GO:0046872 GO:0050660 GO:0051287 GO:0051536 GO:0051537 GO:0055114 GO:0070062 GO:0072593
90.060.3256.240.070.501jroB GO:0016491 GO:0030151 GO:0046872 GO:0055114
100.060.3486.890.070.583fahA GO:0009055 GO:0016491 GO:0033727 GO:0046872 GO:0051536 GO:0051537 GO:0055114
110.060.3227.050.060.554z32A GO:0000165 GO:0000166 GO:0000186 GO:0002250 GO:0002376 GO:0004672 GO:0004713 GO:0004715 GO:0005088 GO:0005102 GO:0005131 GO:0005143 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005856 GO:0005901 GO:0006468 GO:0006915 GO:0006919 GO:0006928 GO:0006979 GO:0007165 GO:0007167 GO:0007186 GO:0007204 GO:0007259 GO:0007260 GO:0007262 GO:0007498 GO:0007596 GO:0008022 GO:0008284 GO:0008285 GO:0008631 GO:0009755 GO:0010667 GO:0010811 GO:0012505 GO:0014068 GO:0016020 GO:0016301 GO:0016310 GO:0016363 GO:0016477 GO:0016568 GO:0016740 GO:0018108 GO:0019221 GO:0019901 GO:0020037 GO:0022408 GO:0030041 GO:0030154 GO:0030218 GO:0030335 GO:0031103 GO:0031234 GO:0031702 GO:0031904 GO:0031959 GO:0032024 GO:0032496 GO:0032516 GO:0032731 GO:0032760 GO:0033130 GO:0033160 GO:0033194 GO:0033209 GO:0034612 GO:0035401 GO:0035409 GO:0035556 GO:0035722 GO:0038083 GO:0042127 GO:0042169 GO:0042393 GO:0042503 GO:0042506 GO:0042508 GO:0042517 GO:0042523 GO:0042977 GO:0042981 GO:0043065 GO:0043388 GO:0043392 GO:0043524 GO:0043547 GO:0043548 GO:0043560 GO:0045087 GO:0045121 GO:0045429 GO:0045597 GO:0045822 GO:0046677 GO:0046777 GO:0046872 GO:0048008 GO:0050727 GO:0050729 GO:0050731 GO:0050867 GO:0051091 GO:0051428 GO:0051770 GO:0060333 GO:0060334 GO:0060396 GO:0060397 GO:0060399 GO:0061180 GO:0070671 GO:0097191 GO:0097296
120.060.3236.920.050.531dgjA GO:0009055 GO:0016491 GO:0046872 GO:0051536 GO:0051537 GO:0055114
130.060.2987.240.040.511n63B GO:0005507 GO:0016491 GO:0018492 GO:0030151 GO:0046872 GO:0055114
140.060.3017.010.070.514ef3A GO:0005507 GO:0016491 GO:0016722 GO:0030288 GO:0042597 GO:0046872 GO:0052716 GO:0055114
150.060.3687.250.050.642ckjA GO:0001933 GO:0001937 GO:0003824 GO:0004854 GO:0004855 GO:0005506 GO:0005576 GO:0005615 GO:0005737 GO:0005777 GO:0005829 GO:0006195 GO:0006919 GO:0007595 GO:0009055 GO:0009115 GO:0010629 GO:0016491 GO:0016529 GO:0016614 GO:0016903 GO:0030856 GO:0042803 GO:0043546 GO:0045602 GO:0046872 GO:0050660 GO:0051536 GO:0051537 GO:0051898 GO:0055114 GO:1900745 GO:1900747 GO:2000379 GO:2001213
160.060.2976.900.070.493qqxA GO:0005507 GO:0016491 GO:0016722 GO:0030288 GO:0042597 GO:0046872 GO:0052716 GO:0055114
170.060.2947.360.030.511rm6A GO:0016491 GO:0018525 GO:0055114
180.060.2826.680.080.461jroA GO:0000166 GO:0003824 GO:0004854 GO:0004855 GO:0009055 GO:0016491 GO:0016614 GO:0046872 GO:0050660 GO:0051536 GO:0051537 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0004222 GO:0046914 GO:0016682
GO-Score 0.45 0.43 0.32
Biological Processes GO:0006508 GO:0055114
GO-Score 0.45 0.31
Cellular Component GO:0016021 GO:0005886 GO:0030313
GO-Score 0.45 0.45 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.