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I-TASSER results for job id Rv0584

[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
10.52 18 2wvzA KIF Rep, Mult 103,105,106,368,369,406,415,416,565,616,617
20.22 9 2ww3B CA Rep, Mult 369,615,617,656,658
30.02 1 3c67B GLC Rep, Mult 279,282,283,286
40.02 1 1g6iA UUU Rep, Mult 94,96,97,114,154,156,158
50.02 1 1dl2A UUU Rep, Mult 51,54,57,79,86,87
60.02 1 2ww0A SWA Rep, Mult 103,368,369,406

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
10.0672cqsA0.5735.580.0940.7102.4.1.20NA
20.0661h54B0.5505.820.0710.6912.4.1.8NA
30.0661lf6A0.4855.280.0990.5933.2.1.3130
40.0601z1wA0.3178.050.0370.4753.4.11.-NA
50.0601w6jA0.3377.760.0510.4905.4.99.7293
60.0602ckjA0.3148.850.0520.5021.17.1.4,1.17.3.2NA
70.0602vn4A0.3075.250.0560.3763.2.1.3130
80.0603b9jI0.0945.440.0290.1171.17.1.4,1.17.3.2293
90.0601t3tA0.3019.020.0490.4876.3.5.3NA
100.0601fo4A0.3208.810.0480.5111.17.1.4NA
110.0602g49A0.3149.090.0390.5123.4.24.56NA
120.0601q16A0.3088.780.0380.4911.7.99.4NA
130.0601ug9A0.5155.790.1010.6443.2.1.70130
140.0602jg0A0.3455.530.0650.4263.2.1.28NA
150.0601llwA0.3129.400.0410.5261.4.7.1NA
160.0601dl2A0.3386.160.0620.4363.2.1.113NA
170.0601ofdA0.3299.080.0430.5401.4.7.1NA
180.0603b9jC0.2578.720.0330.4101.17.3.2,1.17.1.4NA
190.0601fmiA0.3155.700.0590.3963.2.1.113NA
200.0602vdcF0.3048.660.0360.4811.4.1.13NA
210.0602qnoA0.3026.130.0600.3933.2.1.476
220.0602ri9B0.3176.160.0700.4123.2.1.113300

(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
00.380.8041.080.280.812ww2A GO:0003824 GO:0005975 GO:0030246
10.310.7263.210.260.794aq0A GO:0003824 GO:0004559 GO:0005975 GO:0030246 GO:0046872
20.150.7872.050.270.812wvzB GO:0003824 GO:0005975 GO:0030246 GO:0046872
30.070.5735.590.100.713acsA GO:0003824 GO:0005975 GO:0030246
40.070.5695.620.080.713qdeA GO:0003824 GO:0005975 GO:0016740 GO:0016757 GO:0030246 GO:0047738
50.070.5605.860.090.713rrsA GO:0003824 GO:0005975 GO:0016740 GO:0016757 GO:0030246 GO:0047738
60.070.5525.970.090.701v7vA GO:0003824 GO:0005975 GO:0016740 GO:0030246 GO:0046872
70.070.5356.370.090.714zlfA GO:0003824 GO:0005975 GO:0030246
80.060.2427.710.050.363n6rA GO:0003824 GO:0004075 GO:0004658 GO:0005524 GO:0016874 GO:0019541 GO:0046872
90.060.2528.070.030.383n6rG GO:0003824 GO:0004075 GO:0004658 GO:0005524 GO:0016874 GO:0019541 GO:0046872
100.060.2077.300.060.303h4iA GO:0000166 GO:0005975 GO:0008152 GO:0016740 GO:0016746 GO:0016757 GO:0016758 GO:0016874 GO:0017000 GO:0030259 GO:0033072
110.060.1948.430.020.301ldjA GO:0000082 GO:0000086 GO:0000209 GO:0002223 GO:0004842 GO:0005654 GO:0005829 GO:0006511 GO:0006513 GO:0006915 GO:0007050 GO:0008283 GO:0008285 GO:0009887 GO:0016032 GO:0016055 GO:0016567 GO:0019005 GO:0031146 GO:0031461 GO:0031625 GO:0038061 GO:0038095 GO:0042787 GO:0043161 GO:0050852 GO:0051403 GO:0051437 GO:0061630 GO:0097193 GO:1990452
120.060.2017.150.040.283u0bA GO:0004316 GO:0016491 GO:0055114 GO:0102132
130.060.1957.160.050.281pn3A GO:0005975 GO:0008152 GO:0016740 GO:0016757 GO:0016758 GO:0017000 GO:0030259 GO:0033072
140.060.1757.260.030.252guwB GO:0003824 GO:0008152 GO:0008714 GO:0009116 GO:0016787 GO:0016798 GO:0044209 GO:0046033
150.060.1376.660.030.192j0rA GO:0006810 GO:0006811 GO:0006826 GO:0055072
160.060.1526.240.060.203gd5A GO:0000050 GO:0004585 GO:0005737 GO:0006520 GO:0006526 GO:0006591 GO:0008652 GO:0016597 GO:0016740 GO:0016743 GO:0042450
170.060.1165.320.060.143e5tA GO:0008218 GO:0018298
180.060.1235.910.050.161h1yA GO:0003824 GO:0004750 GO:0005737 GO:0005829 GO:0005975 GO:0006098 GO:0008152 GO:0009052 GO:0016853 GO:0016857 GO:0019323 GO:0044262 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0030246 GO:0046872 GO:0004559
GO-Score 0.69 0.42 0.31
Biological Processes GO:0005975
GO-Score 0.69
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.