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I-TASSER results for job id Rv3243c

[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
10.08 4 1fiqA FES Rep, Mult 158,184,185,186,187,189,220,222
20.04 2 3arcd CLA Rep, Mult 27,31
30.04 2 3ujoA ADE Rep, Mult 76,101
40.02 1 3sy9C C8E Rep, Mult 80,97
50.02 1 4gdiC FUC Rep, Mult 181,243
60.02 1 1v51A ZN Rep, Mult 246,250
70.02 1 5d92D 8K6 Rep, Mult 31,32
80.02 1 1rwtG CHL Rep, Mult 83,88
90.02 1 3u14A FRU Rep, Mult 188,189
100.02 1 4xnlA 78M Rep, Mult 193,226,228,244
110.02 1 2zyqB TAR Rep, Mult 121,122
120.02 1 3pyrG MG Rep, Mult 221,222
130.02 1 2fkaA CXS Rep, Mult 119,253,257
140.02 1 1s5lK CLA Rep, Mult 252,256
150.02 1 2ckjA FES Rep, Mult 149,150,151,155,165,168,169
160.02 1 2ckjA FES Rep, Mult 83,84,95,113
170.02 1 1v72A ZN Rep, Mult 141,145
180.02 1 3vm5A CL Rep, Mult 4,72,116,165
190.02 1 3a16D PXO Rep, Mult 62,192,193,194
200.02 1 3v65C CA Rep, Mult 158,210

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
10.0602r4uA0.3686.110.0750.6252.4.1.21188
20.0603b9jJ0.2795.440.0450.4391.17.1.4,1.17.3.2NA
30.0601jqjA0.3846.690.0650.6752.7.7.799,119
40.0602vdcA0.3816.730.0480.7001.4.1.13NA
50.0602p0mA0.3736.310.0610.6291.13.11.33NA
60.0602awaB0.3846.450.0240.6642.7.7.7NA
70.0602ckjA0.2946.590.0340.5291.17.1.4,1.17.3.2NA
80.0601jroB0.3816.500.0490.6641.1.1.204NA
90.0602pflA0.3916.220.0360.6612.3.1.54NA
100.0603cskA0.3736.360.0650.6363.4.14.4178,225,245
110.0603l8cB0.3746.260.0460.6436.1.1.1349
120.0601nx9A0.3906.300.0500.6713.1.1.43121
130.0601fl2A0.2396.390.0420.4181.8.1.-NA
140.0601fo4A0.2996.950.0290.5641.17.1.4120
150.0601zy9A0.4046.190.0480.6863.2.1.22140,170
160.0602ow6A0.3786.750.0430.6963.2.1.114182
170.0601hyuA0.3766.940.0490.7041.8.1.-NA
180.0603b9jI0.2135.930.0260.3541.17.1.4,1.17.3.279,111
190.0601h16A0.3966.250.0320.6682.3.1.54NA

(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
00.260.7902.530.100.884w4iA GO:0005737
10.220.7243.140.110.854l4wB GO:0005737
20.170.6442.950.110.744rclB GO:0005737
30.070.4456.300.030.773l4uA GO:0000023 GO:0003824 GO:0004339 GO:0004553 GO:0004558 GO:0005886 GO:0005975 GO:0005983 GO:0008152 GO:0016020 GO:0016021 GO:0016160 GO:0016324 GO:0016787 GO:0016798 GO:0030246 GO:0032450 GO:0044245 GO:0070062
40.070.4975.680.030.783tonA GO:0000023 GO:0003824 GO:0004339 GO:0004553 GO:0004558 GO:0005886 GO:0005975 GO:0005983 GO:0008152 GO:0016020 GO:0016021 GO:0016160 GO:0016324 GO:0016787 GO:0016798 GO:0030246 GO:0032450 GO:0044245 GO:0070062
50.070.4786.410.020.844amwA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0016829 GO:0030246 GO:0047457
60.070.4736.010.050.775f7cA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246
70.070.4635.800.040.745f7sB GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246
80.060.3166.990.040.592g3mF GO:0000023 GO:0003824 GO:0004553 GO:0004558 GO:0005737 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246 GO:0032450
90.060.3416.500.010.603nsxA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246
100.060.3136.430.060.544xpqA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246
110.060.4316.250.040.755dkyA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246
120.060.3816.590.060.674ba0A GO:0003824 GO:0004553 GO:0005975 GO:0016740 GO:0016757 GO:0030246 GO:0033825
130.060.3316.520.030.595djwA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246
140.060.4616.100.060.774kwuA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246 GO:0046872
150.060.4406.060.040.742f2hA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246 GO:0042802 GO:0061634 GO:0080176
160.060.4195.860.060.682xvgA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246
170.060.2996.520.040.535aedA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246
180.060.4885.950.040.803lppA GO:0003824 GO:0004553 GO:0004558 GO:0004574 GO:0004575 GO:0005794 GO:0005886 GO:0005903 GO:0005975 GO:0008152 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0016798 GO:0030246 GO:0044245 GO:0070062


Consensus prediction of GO terms
 
Molecular Function GO:0016160 GO:0004339 GO:0032450 GO:0030246 GO:0004558
GO-Score 0.13 0.13 0.13 0.13 0.13
Biological Processes GO:0000023 GO:0044245 GO:0005983
GO-Score 0.13 0.13 0.13
Cellular Component GO:0005737
GO-Score 0.52

(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.