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I-TASSER results for job id Rv1168c

[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 3 2ibfA III Rep, Mult 15,21,22,25,28,31,32,35,36,39,155,159
20.08 3 4zzbA XE Rep, Mult 107,137,140,141
30.08 3 2jj1G PIT Rep, Mult 110,113,114,117,118
40.06 2 1y8wA OXY Rep, Mult 86,90
50.04 1 2g381 III Rep, Mult 3,14,15,17,18,19,22,25,28,29,31,32,35,36,38,39,42,43,46,50,54,62,69,72,80,83,87,94,151,152,155,159,161,162,164,165,167,170
60.03 1 2vs0B ZN Rep, Mult 34,81
70.03 1 2zhzA MG Rep, Mult 111,134
80.03 1 2g38B MN Rep, Mult 146,149,150
90.03 1 1clcA CA Rep, Mult 118,121,125
100.03 1 3s90A III Rep, Mult 6,20,21,22,25,28,80,94
110.03 1 1kscA CA Rep, Mult 103,107,108,144

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
10.0601clcA0.3845.990.0420.5813.2.1.4NA
20.0601b8fA0.3795.660.0690.5554.3.1.3NA
30.0601l2aE0.3726.490.0490.6073.2.1.492
40.0603no9A0.3685.220.0840.5124.2.1.2171
50.0601ks8A0.3895.560.0650.5643.2.1.4NA
60.0601ia7A0.3705.820.0570.5553.2.1.4NA
70.0601occA0.3735.670.0500.5551.9.3.1NA
80.0601qleA0.3626.330.0430.5751.9.3.1NA
90.0602occN0.3745.670.0420.5551.9.3.1145
100.0601yfmA0.3705.460.1060.5204.2.1.2NA
110.0601w6jA0.3687.220.0420.6685.4.99.7NA
120.0602o6yA0.3835.810.0730.5614.3.1.-NA
130.0601g87B0.3856.230.0720.6163.2.1.4NA
140.0601k62B0.3684.710.0530.4974.3.2.1NA
150.0601serB0.3576.320.0570.5756.1.1.1146
160.0601sesA0.3476.310.0500.5406.1.1.1143,45,168
170.0601is9A0.3176.510.0530.5143.2.1.480
180.0602zr3B0.3155.650.0540.4576.1.1.1143,60
190.0601q16A0.3236.720.0510.5521.7.99.4NA

(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
00.340.4661.740.330.494kxrB GO:0005576 GO:0009405 GO:0009986
10.060.4245.020.090.582nrjA GO:0005576 GO:0009405 GO:0016020 GO:0016021 GO:0019835 GO:0020002 GO:0033644 GO:0044179
20.060.4196.180.060.644a01A GO:0004427 GO:0005773 GO:0005774 GO:0006810 GO:0006811 GO:0009678 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0046872 GO:0055085
30.060.4036.160.060.614av3B GO:0000287 GO:0004427 GO:0005509 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006814 GO:0009678 GO:0015081 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0030955 GO:0035725 GO:0042803 GO:0046872
40.060.3905.620.060.574k1pB GO:0009405 GO:0016020
50.060.4145.850.050.625j65A GO:0030435
60.060.2676.550.040.451us2A GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0009279 GO:0016020 GO:0016787 GO:0016798 GO:0031176 GO:0045493
70.060.3336.510.070.544av6A GO:0000287 GO:0004427 GO:0005509 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006814 GO:0009678 GO:0015081 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0030955 GO:0035725 GO:0042803 GO:0046872
80.060.3227.000.060.571w07B GO:0000062 GO:0001676 GO:0003995 GO:0003997 GO:0005777 GO:0005829 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0009055 GO:0009506 GO:0009611 GO:0009620 GO:0009695 GO:0016491 GO:0016627 GO:0033539 GO:0046686 GO:0050660 GO:0052890 GO:0055088 GO:0055114
90.060.2606.640.040.443k5pA GO:0004617 GO:0006564 GO:0008152 GO:0016491 GO:0016597 GO:0016616 GO:0051287 GO:0055114
100.060.2545.200.050.362wlkA GO:0005242 GO:0005244 GO:0006810 GO:0006811 GO:0006813 GO:0016020 GO:0016021 GO:0034765 GO:0071805
110.060.2287.860.040.465bv7A GO:0004607 GO:0004623 GO:0005576 GO:0005615 GO:0006629 GO:0006644 GO:0006656 GO:0008202 GO:0008203 GO:0008374 GO:0016740 GO:0016746 GO:0030301 GO:0034186 GO:0034364 GO:0034372 GO:0034375 GO:0034435 GO:0042157 GO:0042158 GO:0042632 GO:0043691 GO:0046470 GO:0046688 GO:0051384 GO:0070062 GO:0090107
120.060.2436.170.040.393mc1A
130.060.2566.950.070.444dq6A GO:0003824 GO:0009058 GO:0016740 GO:0030170
140.060.2564.740.060.343l0iC GO:0000166 GO:0003824 GO:0005085 GO:0005524 GO:0005576 GO:0005622 GO:0006612 GO:0008152 GO:0008289 GO:0009405 GO:0016020 GO:0016740 GO:0016779 GO:0017137 GO:0018117 GO:0018260 GO:0033644 GO:0043087 GO:0043547 GO:0044161 GO:0044162 GO:0044600 GO:0070273 GO:0070733
150.060.2146.920.020.374qdhA GO:0001932 GO:0002224 GO:0002237 GO:0002376 GO:0002730 GO:0002755 GO:0004888 GO:0005149 GO:0005737 GO:0005764 GO:0005768 GO:0005783 GO:0005789 GO:0005886 GO:0006954 GO:0006955 GO:0007165 GO:0007252 GO:0007409 GO:0009615 GO:0010628 GO:0016020 GO:0016021 GO:0016323 GO:0016324 GO:0030277 GO:0031410 GO:0032009 GO:0032088 GO:0032640 GO:0032715 GO:0032717 GO:0032722 GO:0032725 GO:0032728 GO:0032733 GO:0032735 GO:0032741 GO:0032755 GO:0032757 GO:0032760 GO:0034122 GO:0034123 GO:0034162 GO:0035197 GO:0042346 GO:0043123 GO:0043507 GO:0045078 GO:0045087 GO:0045335 GO:0045356 GO:0045359 GO:0045944 GO:0050707 GO:0050727 GO:0050729 GO:0050829 GO:0050864 GO:0051092 GO:0051607 GO:0051770 GO:1901895 GO:1902350
160.060.1937.250.020.344zpkB GO:0001077 GO:0001525 GO:0001666 GO:0001892 GO:0001974 GO:0002027 GO:0003677 GO:0003700 GO:0005634 GO:0005667 GO:0005737 GO:0006351 GO:0006355 GO:0006366 GO:0006979 GO:0007005 GO:0007275 GO:0007601 GO:0008134 GO:0016607 GO:0030097 GO:0030154 GO:0030218 GO:0030324 GO:0035035 GO:0042415 GO:0043129 GO:0043565 GO:0043619 GO:0045944 GO:0046982 GO:0046983 GO:0048469 GO:0048625 GO:0055072 GO:0071456
170.060.2456.590.050.412wsuB GO:0007155 GO:0019028 GO:0019058 GO:0019062 GO:0030246
180.060.2255.850.060.353ve7A GO:0003824 GO:0004590 GO:0006207 GO:0008152 GO:0016829


Consensus prediction of GO terms
 
Molecular Function GO:0004427 GO:0009678 GO:0000287 GO:0042803 GO:0005509 GO:0030955 GO:0015081
GO-Score 0.12 0.12 0.07 0.07 0.07 0.07 0.07
Biological Processes GO:0009405
GO-Score 0.43
Cellular Component GO:0005576 GO:0009986
GO-Score 0.39 0.34

(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.