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I-TASSER results for job id Rv2164c

[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
10.10 7 2ol1C UMP Rep, Mult 263,264,265
20.06 4 3rovB III Rep, Mult 269,270
30.06 4 3cmvF ANP Rep, Mult 225,226,227,228,229,233
40.03 2 1zyrN STD Rep, Mult 259,262,263,267
50.01 1 3cmvE ANP Rep, Mult 227,228,229,233,236
60.01 1 2f2hE XTG Rep, Mult 178,245,250
70.01 1 3divA 5AX Rep, Mult 75,77
80.01 1 2qf7B SAP Rep, Mult 353,354,356,361
90.01 1 1xskA XYF Rep, Mult 124,218,221
100.01 1 2rhpA CA Rep, Mult 204,206,208,210
110.01 1 2vk6A MG Rep, Mult 205,206
120.01 1 3l5hA UUU Rep, Mult 268,269,281
130.01 1 3fbyB CA Rep, Mult 206,208,210,212,219
140.01 1 3cmvA ANP Rep, Mult 25,27,28,29,30,154
150.01 1 3tw6C PAE Rep, Mult 91,180,182,184,185
160.01 1 3ufhA FLC Rep, Mult 188,351,352
170.01 1 2f2hF XTG Rep, Mult 295,297,298
180.01 1 1nb3I III Rep, Mult 376,377
190.01 1 3lw52 CLA Rep, Mult 324,328
200.01 1 3tw6C COA Rep, Mult 252,255,256,257

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
10.0602hb6B0.2776.390.0360.4323.4.11.173
20.0603btaA0.2776.720.0260.4533.4.24.69NA
30.0602g3mF0.2956.500.0460.4713.2.1.20NA
40.0602qf7A0.3127.280.0250.5446.4.1.1NA
50.0602qf7B0.3276.550.0400.5166.4.1.1NA
60.0601ofdA0.2817.120.0370.4791.4.7.1NA
70.0601ej6A0.2847.340.0540.5002.7.7.50NA
80.0602hivA0.2596.280.0350.4116.5.1.189
90.0601eulA0.2755.870.0280.3983.6.3.8NA
100.0601t3tA0.2807.220.0710.4826.3.5.3NA
110.0603b8cA0.2816.810.0320.4563.6.3.6NA
120.0601kfqB0.2867.050.0370.4875.4.2.2370
130.0602ijd10.2826.870.0360.4713.6.1.15NA
140.0601pg3B0.2846.600.0250.4666.2.1.1NA
150.0601bgwA0.2417.180.0350.4045.99.1.3NA
160.0601dgjA0.2966.730.0450.4871.2.-.-88
170.0601h16A0.2986.910.0400.5002.3.1.54NA
180.0602np0A0.2746.580.0180.4353.4.24.69NA
190.0602vuaA0.2276.660.0340.3723.4.24.69245

(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
00.070.5575.100.130.775gaoE GO:0000387 GO:0000398 GO:0000481 GO:0005634 GO:0005681 GO:0006397 GO:0008380 GO:0030529 GO:0045292 GO:0046540
10.060.3196.880.040.534qslD GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
20.060.3356.560.040.533tw6B GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
30.060.2917.030.020.502qf7A GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
40.060.3276.550.040.522qf7B GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
50.060.3006.910.040.513bg5A GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
60.060.2676.850.050.453bg5B GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
70.060.3037.160.030.534qslA GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
80.060.2997.810.050.563ho8D GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
90.060.2427.340.040.431bxrA GO:0000050 GO:0000166 GO:0003824 GO:0004087 GO:0004088 GO:0005524 GO:0005829 GO:0005951 GO:0006221 GO:0006526 GO:0006807 GO:0008652 GO:0016597 GO:0016874 GO:0019856 GO:0044205 GO:0046872
100.060.2896.810.040.474qslG GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
110.060.2547.370.030.445i6hB GO:0000166 GO:0003824 GO:0003989 GO:0004075 GO:0005524 GO:0006633 GO:0016874 GO:0046872
120.060.2327.020.040.391uyrA GO:0000166 GO:0003824 GO:0003989 GO:0004075 GO:0005524 GO:0005737 GO:0005783 GO:0005789 GO:0006606 GO:0006629 GO:0006631 GO:0006633 GO:0006998 GO:0008152 GO:0016020 GO:0016874 GO:0042759 GO:0046872 GO:2001295
130.060.2466.780.060.411vrgA GO:0003989 GO:0004658 GO:0016740 GO:0016874
140.060.2547.410.030.451uyvA GO:0000166 GO:0003824 GO:0003989 GO:0004075 GO:0005524 GO:0005737 GO:0005783 GO:0005789 GO:0006606 GO:0006629 GO:0006631 GO:0006633 GO:0006998 GO:0008152 GO:0016020 GO:0016874 GO:0042759 GO:0046872 GO:2001295
150.060.2377.300.010.413va7A GO:0000166 GO:0003824 GO:0004039 GO:0004075 GO:0004847 GO:0005524 GO:0005737 GO:0016874 GO:0043419 GO:0046872
160.060.2177.230.060.383gidB GO:0000166 GO:0003824 GO:0003989 GO:0004075 GO:0005524 GO:0005634 GO:0005739 GO:0005741 GO:0005829 GO:0006084 GO:0006629 GO:0006631 GO:0006633 GO:0006768 GO:0006853 GO:0008152 GO:0010629 GO:0010884 GO:0010906 GO:0012505 GO:0016020 GO:0016874 GO:0031325 GO:0031667 GO:0031999 GO:0043086 GO:0046322 GO:0046872 GO:0050995 GO:0051289 GO:0060421 GO:0097009 GO:2001295
170.060.2546.940.050.423ff6A GO:0000166 GO:0003824 GO:0003989 GO:0004075 GO:0005524 GO:0005634 GO:0005739 GO:0005741 GO:0005829 GO:0006084 GO:0006629 GO:0006631 GO:0006633 GO:0006768 GO:0006853 GO:0008152 GO:0010629 GO:0010884 GO:0010906 GO:0012505 GO:0016020 GO:0016874 GO:0031325 GO:0031667 GO:0031999 GO:0043086 GO:0046322 GO:0046872 GO:0050995 GO:0051289 GO:0060421 GO:0097009 GO:2001295
180.060.2466.580.040.401w93A GO:0000166 GO:0003824 GO:0003989 GO:0004075 GO:0005524 GO:0005737 GO:0005783 GO:0005789 GO:0006606 GO:0006629 GO:0006631 GO:0006633 GO:0006998 GO:0008152 GO:0016020 GO:0016874 GO:0042759 GO:0046872 GO:2001295


Consensus prediction of GO terms
 
Molecular Function GO:0032559 GO:0019842 GO:0035639 GO:0016879 GO:0003676 GO:0032550 GO:0016885 GO:0033293 GO:0043169
GO-Score 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46
Biological Processes GO:0032787 GO:0006006 GO:0019319
GO-Score 0.46 0.46 0.46
Cellular Component GO:0005681 GO:0046540
GO-Score 0.07 0.07

(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.